smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(CCCCCCC(=O)Nc1ccc([N+](=O)[O-])cc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000004953743 845074350 /nfs/dbraw/zinc/07/43/50/845074350.db2.gz AZGLHQBWSVKPSV-UHFFFAOYSA-N 0 0 414.418 4.421 50 5 HIBARN O=C1Nc2ccc([N+](=O)[O-])cc2NC(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]12 ZINC000005948367 845153273 /nfs/dbraw/zinc/15/32/73/845153273.db2.gz RRBANWVOPAFHKV-UJKMTWAASA-N 0 0 411.417 4.009 50 5 HIBARN O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)N1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000012789516 845890510 /nfs/dbraw/zinc/89/05/10/845890510.db2.gz GYYXOOBCUFQLEE-AUNFYEFLSA-N 0 0 414.845 4.396 50 5 HIBARN O=C(/C=C\c1cc([N+](=O)[O-])cc2c1OCOC2)Nc1ccc(N2CCCCC2)cc1 ZINC000222023945 853876681 /nfs/dbraw/zinc/87/66/81/853876681.db2.gz JSIPCDQKTSCOOX-WTKPLQERSA-N 0 0 409.442 4.104 50 5 HIBARN O=C(NC(=S)Nc1cccc(Cl)c1N1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000001076469 132236651 /nfs/dbraw/zinc/23/66/51/132236651.db2.gz GYQJFVPSGFKIIO-UHFFFAOYSA-N 0 0 418.906 4.365 50 5 HIBARN CC(C)CC(=O)N1CCN(c2ccc([N+](=O)[O-])c(N[C@H](C)c3ccccc3)c2)CC1 ZINC000004688238 132283469 /nfs/dbraw/zinc/28/34/69/132283469.db2.gz SXXZOEIIAUFTSI-GOSISDBHSA-N 0 0 410.518 4.463 50 5 HIBARN Nc1nc(N2CCC(Cc3ccccc3)CC2)nc(NCc2ccccc2)c1[N+](=O)[O-] ZINC000005065440 132300076 /nfs/dbraw/zinc/30/00/76/132300076.db2.gz ZZRVTNKNWWETLA-UHFFFAOYSA-N 0 0 418.501 4.038 50 5 HIBARN Cc1ccc(Nc2ccc(N3CCN(c4ccc(Cl)cc4[N+](=O)[O-])CC3)nn2)cc1 ZINC000009934599 132344234 /nfs/dbraw/zinc/34/42/34/132344234.db2.gz QRSQGOCWUYRIHD-UHFFFAOYSA-N 0 0 424.892 4.417 50 5 HIBARN COc1cc(NC(=O)c2cnn(-c3cccc(Cl)c3)c2C)c([N+](=O)[O-])cc1OC ZINC000032796927 522731658 /nfs/dbraw/zinc/73/16/58/522731658.db2.gz NMWFQCMNIBTHHF-UHFFFAOYSA-N 0 0 416.821 4.012 50 5 HIBARN Cc1ccccc1-n1c(-c2cccc([N+](=O)[O-])c2)cnc1SCC(=O)N1CCCC1 ZINC000044086854 525024910 /nfs/dbraw/zinc/02/49/10/525024910.db2.gz DWVJIKOAJXCTCE-UHFFFAOYSA-N 0 0 422.510 4.470 50 5 HIBARN O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCCC2)ccc1Oc1ccc(F)cc1F ZINC000032509609 527340045 /nfs/dbraw/zinc/34/00/45/527340045.db2.gz MXLMUHCWDOPYQY-UHFFFAOYSA-N 0 0 412.414 4.230 50 5 HIBARN O=c1c(N2CCCC2)nc2ccc([N+](=O)[O-])cc2n1Cc1ccc(Cl)cc1Cl ZINC000032843085 527451927 /nfs/dbraw/zinc/45/19/27/527451927.db2.gz PKPJFOUGRASRNV-UHFFFAOYSA-N 0 0 419.268 4.260 50 5 HIBARN COC(=O)c1ccc(N2CCC(c3cc(-c4cccs4)n[nH]3)CC2)c([N+](=O)[O-])c1 ZINC000004024795 536731249 /nfs/dbraw/zinc/73/12/49/536731249.db2.gz QNKYVTRFXHTVHF-UHFFFAOYSA-N 0 0 412.471 4.217 50 5 HIBARN CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)Oc1ccc2c(c1)oc(=O)c1ccccc21 ZINC000000625826 557022252 /nfs/dbraw/zinc/02/22/52/557022252.db2.gz DUIZSHBYYXFBMU-SFHVURJKSA-N 0 0 409.438 4.251 50 5 HIBARN CC1(C)Cc2c(sc3c2c2ncnn2c2nnc(SCc4ccccc4)n23)CO1 ZINC000001060963 557164041 /nfs/dbraw/zinc/16/40/41/557164041.db2.gz FZSSFTSLZMPCQN-UHFFFAOYSA-N 0 0 422.539 4.130 50 5 HIBARN CCOC(=O)c1c2nc3ccccc3nc2n2c1nc(O)c1c3c(sc12)CCCC3 ZINC000002352400 557339617 /nfs/dbraw/zinc/33/96/17/557339617.db2.gz FYTJMGKOMPPSQF-UHFFFAOYSA-N 0 0 418.478 4.407 50 5 HIBARN COc1ccc(-c2nc3oc4ccccc4c(=O)c3c(=O)n2CCc2ccccc2)cc1 ZINC000002328234 557695501 /nfs/dbraw/zinc/69/55/01/557695501.db2.gz NDVDHGGDXWSVTM-UHFFFAOYSA-N 0 0 424.456 4.421 50 5 HIBARN Cn1c2ccccc2c(=O)c2c(=O)n(Cc3ccco3)c(-c3ccc(Cl)cc3)nc21 ZINC000002346477 557696308 /nfs/dbraw/zinc/69/63/08/557696308.db2.gz MABWVQBWLBYZFP-UHFFFAOYSA-N 0 0 417.852 4.210 50 5 HIBARN Cc1ccc(S(=O)(=O)C2(C(=O)OCc3ccc([N+](=O)[O-])cc3)CCCC2)cc1C ZINC000010938302 558587405 /nfs/dbraw/zinc/58/74/05/558587405.db2.gz KSAAKCORRRDLJE-UHFFFAOYSA-N 0 0 417.483 4.042 50 5 HIBARN Cc1ccc(C(C)C)c(OCC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCCO3)c1 ZINC000010964142 558617883 /nfs/dbraw/zinc/61/78/83/558617883.db2.gz FIKDPPQAGNJWMD-UHFFFAOYSA-N 0 0 400.431 4.205 50 5 HIBARN O=C1OC(c2ccc(Br)cc2)=NC1=CNc1cc([N+](=O)[O-])ccc1Cl ZINC000004508186 558622299 /nfs/dbraw/zinc/62/22/99/558622299.db2.gz PRLDMOGWCMLLDS-ZSOIEALJSA-N 0 0 422.622 4.268 50 5 HIBARN O=C(Cn1c2ccccc2c(=O)c2ccccc21)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000026363760 558659641 /nfs/dbraw/zinc/65/96/41/558659641.db2.gz SQGZWBXNCATBDW-GJZGRUSLSA-N 0 0 402.416 4.392 50 5 HIBARN C[C@H](OC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000011029097 558691211 /nfs/dbraw/zinc/69/12/11/558691211.db2.gz CTWITJIDGZKKIR-VIFPVBQESA-N 0 0 416.739 4.451 50 5 HIBARN CCCOc1ccccc1[C@H](CC(C)C)Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000072307330 558767209 /nfs/dbraw/zinc/76/72/09/558767209.db2.gz QLICZPMWNDEYOJ-SFHVURJKSA-N 0 0 421.519 4.230 50 5 HIBARN Cc1c(C(=O)N2CCC[C@H]2C(=O)Nc2ccc(Cl)cc2Cl)cccc1[N+](=O)[O-] ZINC000033094273 558872597 /nfs/dbraw/zinc/87/25/97/558872597.db2.gz QMGMDLLXVOGHMY-KRWDZBQOSA-N 0 0 422.268 4.453 50 5 HIBARN CC(=O)N1N=C(c2cc(C3CC3)nc3ccccc32)O[C@@H]1c1ccc([N+](=O)[O-])s1 ZINC000021941239 558979010 /nfs/dbraw/zinc/97/90/10/558979010.db2.gz QVMPJVGUOZNAQA-HXUWFJFHSA-N 0 0 408.439 4.321 50 5 HIBARN Cc1ccc(NC(=O)[C@@H]2CCCN2C(=O)C23CC4CC(CC(C4)C2)C3)cc1[N+](=O)[O-] ZINC000023243736 559064615 /nfs/dbraw/zinc/06/46/15/559064615.db2.gz NJNHVFYCPXTYSV-UVLALUNPSA-N 0 0 411.502 4.049 50 5 HIBARN CCOC(=O)c1c(NC(=O)/C=C\c2cccc([N+](=O)[O-])c2)sc2c1CCCC2 ZINC000033339319 559064790 /nfs/dbraw/zinc/06/47/90/559064790.db2.gz PXEJACBZVFSAIB-KHPPLWFESA-N 0 0 400.456 4.364 50 5 HIBARN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1I ZINC000004819778 559068950 /nfs/dbraw/zinc/06/89/50/559068950.db2.gz UKCVXTNVAUFOPM-UHFFFAOYSA-N 0 0 402.575 4.105 50 5 HIBARN CC[C@@H](C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F)c1ccccc1 ZINC000004870630 559194170 /nfs/dbraw/zinc/19/41/70/559194170.db2.gz XKXXKNBYYWGWFW-CQSZACIVSA-N 0 0 410.348 4.289 50 5 HIBARN O=C(N/C(=C/c1cccc([N+](=O)[O-])c1)C(=O)OCc1ccccc1)c1ccccc1 ZINC000005049582 559235514 /nfs/dbraw/zinc/23/55/14/559235514.db2.gz GFMTZAMXPIUFOU-RCCKNPSSSA-N 0 0 402.406 4.109 50 5 HIBARN COc1cc([N+](=O)[O-])ccc1NC(=S)Nc1ccc(C(=O)N2CCCCC2)cc1 ZINC000005042035 559235582 /nfs/dbraw/zinc/23/55/82/559235582.db2.gz HBANLPYFXSJUPI-UHFFFAOYSA-N 0 0 414.487 4.038 50 5 HIBARN CCOc1ccc(Nc2nc(N)c([N+](=O)[O-])c(Nc3ccc(OCC)cc3)n2)cc1 ZINC000005050417 559237331 /nfs/dbraw/zinc/23/73/31/559237331.db2.gz ZVVZROMNQFZHDB-UHFFFAOYSA-N 0 0 410.434 4.252 50 5 HIBARN O=C1OC(c2ccc(Br)cc2)=N/C1=C\c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000005052556 559237357 /nfs/dbraw/zinc/23/73/57/559237357.db2.gz ZZJXPEZIONXQAX-QPEQYQDCSA-N 0 0 407.607 4.355 50 5 HIBARN Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000005091632 559243464 /nfs/dbraw/zinc/24/34/64/559243464.db2.gz ZBOCIBOQHUPBHM-BBITVKMKSA-N 0 0 410.429 4.300 50 5 HIBARN CC(C)C(=O)N1CCCc2ccc(NC(=O)c3cc(Cl)ccc3[N+](=O)[O-])cc21 ZINC000005136337 559250785 /nfs/dbraw/zinc/25/07/85/559250785.db2.gz SILPIFWONGLESS-UHFFFAOYSA-N 0 0 401.850 4.436 50 5 HIBARN CC[C@H](C)n1cnc2c(c3nc4ccccc4nc3n2Cc2ccc(F)cc2)c1=O ZINC000005151573 559253940 /nfs/dbraw/zinc/25/39/40/559253940.db2.gz MFCRAPXAUFGMBG-AWEZNQCLSA-N 0 0 401.445 4.453 50 5 HIBARN Cn1c2ccccc2c(=O)c2c(=O)n(Cc3ccccc3)c(-c3ccccc3F)nc21 ZINC000005322303 560568371 /nfs/dbraw/zinc/56/83/71/560568371.db2.gz XKYANXCNSNIOHA-UHFFFAOYSA-N 0 0 411.436 4.103 50 5 HIBARN O=C(CSc1nnc(Nc2ccccc2F)s1)Nc1cc([N+](=O)[O-])ccc1F ZINC000003241069 560590508 /nfs/dbraw/zinc/59/05/08/560590508.db2.gz PYNFPUWHUXOQHT-UHFFFAOYSA-N 0 0 423.426 4.199 50 5 HIBARN C[C@H](Sc1nnc(Cc2ccccc2)o1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000005473304 560593379 /nfs/dbraw/zinc/59/33/79/560593379.db2.gz UBSZLPSCISVTIT-LBPRGKRZSA-N 0 0 409.427 4.472 50 5 HIBARN CSc1ccc(C(=O)N[C@H](c2ccc3c(c2)OCCO3)C(C)C)cc1[N+](=O)[O-] ZINC000017368140 560711216 /nfs/dbraw/zinc/71/12/16/560711216.db2.gz HBXYOOYSKOTKGO-IBGZPJMESA-N 0 0 402.472 4.215 50 5 HIBARN CCN(Cc1ccccc1)c1ccc(N2C(=O)[C@@H]3CCCC[C@@H]3C2=O)cc1[N+](=O)[O-] ZINC000102781510 560827383 /nfs/dbraw/zinc/82/73/83/560827383.db2.gz QGDVAZWUIJYXRH-KDURUIRLSA-N 0 0 407.470 4.301 50 5 HIBARN CCOc1ccc(Nc2ccc(N3C(=O)[C@@H]4CC=CC[C@@H]4C3=O)cc2[N+](=O)[O-])cc1 ZINC000102784722 560827555 /nfs/dbraw/zinc/82/75/55/560827555.db2.gz SVFGLKGABBYWDD-HDICACEKSA-N 0 0 407.426 4.193 50 5 HIBARN O=C(NCc1cn(Cc2ccccc2)nc1-c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000012023094 560887028 /nfs/dbraw/zinc/88/70/28/560887028.db2.gz AIOGUZYMEYRWJE-UHFFFAOYSA-N 0 0 412.449 4.437 50 5 HIBARN COc1ccc([N+](=O)[O-])cc1NC(=O)c1nn(-c2ccccc2)c2c1CCCCC2 ZINC000048326228 568439029 /nfs/dbraw/zinc/43/90/29/568439029.db2.gz DXGBPEABLCSAPD-UHFFFAOYSA-N 0 0 406.442 4.310 50 5 HIBARN O=C(COc1ccc2ccccc2c1Br)Oc1ccccc1[N+](=O)[O-] ZINC000000674833 568460787 /nfs/dbraw/zinc/46/07/87/568460787.db2.gz JFEAMIDVKFPIEA-UHFFFAOYSA-N 0 0 402.200 4.495 50 5 HIBARN NC(=O)c1c(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)scc1-c1ccccc1 ZINC000000675976 568460943 /nfs/dbraw/zinc/46/09/43/568460943.db2.gz YKWHQKXZUUCOLZ-UHFFFAOYSA-N 0 0 401.831 4.328 50 5 HIBARN CC1=C(C(=O)OC2CCCCCCC2)[C@H](c2ccc([N+](=O)[O-])cc2)NC(=O)N1C ZINC000000675211 568461017 /nfs/dbraw/zinc/46/10/17/568461017.db2.gz LPJAWBAZRGSRIJ-IBGZPJMESA-N 0 0 401.463 4.221 50 5 HIBARN COc1ccc(-n2nc3ccc(NC(=O)c4ccc(Cl)c([N+](=O)[O-])c4)cc3n2)cc1 ZINC000000830200 568502224 /nfs/dbraw/zinc/50/22/24/568502224.db2.gz UTCGLGHXHVKARV-UHFFFAOYSA-N 0 0 423.816 4.243 50 5 HIBARN CC(=O)c1cccc(N2C(=O)c3ccc(Oc4cccc([N+](=O)[O-])c4)cc3C2=O)c1 ZINC000000842491 568530256 /nfs/dbraw/zinc/53/02/56/568530256.db2.gz KWQNWPGVZMYHCY-UHFFFAOYSA-N 0 0 402.362 4.390 50 5 HIBARN Cc1ccc(Sc2ccc(CN3CCN(c4ncccn4)CC3)cc2[N+](=O)[O-])cc1 ZINC000020365611 568601358 /nfs/dbraw/zinc/60/13/58/568601358.db2.gz HTYUGIVIHXRKEY-UHFFFAOYSA-N 0 0 421.526 4.167 50 5 HIBARN CN(Cc1cc(Br)ccc1[N+](=O)[O-])C(=O)c1cnc(C(C)(C)C)s1 ZINC000095444711 568611439 /nfs/dbraw/zinc/61/14/39/568611439.db2.gz RHINTTITDGKICF-UHFFFAOYSA-N 0 0 412.309 4.384 50 5 HIBARN O=c1[nH]n(C2CCCCC2)c2nc3c4ccc(O)cc4oc3c(-c3ccc[nH]c3=O)c12 ZINC000095475941 568630189 /nfs/dbraw/zinc/63/01/89/568630189.db2.gz IHBCSPUZOLEZRJ-UHFFFAOYSA-N 0 0 416.437 4.190 50 5 HIBARN Cc1cc(C(=O)Nc2ccccc2-c2nc3ccccc3[nH]c2=O)ccc1[N+](=O)[O-] ZINC000095945306 568663384 /nfs/dbraw/zinc/66/33/84/568663384.db2.gz JNGLPEZQQBDNCM-UHFFFAOYSA-N 0 0 400.394 4.059 50 5 HIBARN CC(=O)N1N=C(c2ccc(Cl)c([N+](=O)[O-])c2)O[C@@H]1c1ccc(Br)cc1 ZINC000021091857 568664217 /nfs/dbraw/zinc/66/42/17/568664217.db2.gz UUHYCORLJCZIKP-MRXNPFEDSA-N 0 0 424.638 4.250 50 5 HIBARN CC1=Nc2c(c(=O)[nH]n2[C@H]2CCOC(C)(C)C2)[C@H](c2cccc([N+](=O)[O-])c2)S1 ZINC000096117536 568696951 /nfs/dbraw/zinc/69/69/51/568696951.db2.gz QQVIJTLARTUFNZ-HOCLYGCPSA-N 0 0 402.476 4.101 50 5 HIBARN CCn1nc(C(=O)Nc2ccc(F)cc2)c(C)c1Oc1ccc([N+](=O)[O-])cc1F ZINC000096203733 568704192 /nfs/dbraw/zinc/70/41/92/568704192.db2.gz IAGYJSZNQATKBY-UHFFFAOYSA-N 0 0 402.357 4.442 50 5 HIBARN C[C@@H](Sc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)Nc1cccc(Cl)c1 ZINC000000851195 568711757 /nfs/dbraw/zinc/71/17/57/568711757.db2.gz GDYKHPAYOMPLDV-SNVBAGLBSA-N 0 0 404.835 4.418 50 5 HIBARN COCCNC(=O)C[C@H](c1c[nH]c2ccc([N+](=O)[O-])cc21)c1ccc(Cl)cc1 ZINC000096275169 568714261 /nfs/dbraw/zinc/71/42/61/568714261.db2.gz LDAXPGMIDQFQBF-INIZCTEOSA-N 0 0 401.850 4.014 50 5 HIBARN CC[C@H](C)[C@@H](NC(=O)CCc1ccccc1)c1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000096277248 568715873 /nfs/dbraw/zinc/71/58/73/568715873.db2.gz AVGZELIGVWHKQP-MGPUTAFESA-N 0 0 408.458 4.481 50 5 HIBARN CC(C)CN(CCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C(=O)c1cccs1 ZINC000096277815 568716459 /nfs/dbraw/zinc/71/64/59/568716459.db2.gz UKBYLYDBAFLTAO-UHFFFAOYSA-N 0 0 400.460 4.047 50 5 HIBARN CC(C)CC(=O)N(CCc1nc(-c2cccc([N+](=O)[O-])c2)no1)CCc1ccccc1 ZINC000096292199 568720846 /nfs/dbraw/zinc/72/08/46/568720846.db2.gz QEJLNKTXFHPSMG-UHFFFAOYSA-N 0 0 422.485 4.305 50 5 HIBARN Cc1ccc(NC(=O)Cn2nc(-c3ccccc3)nc2-c2ccccc2)cc1[N+](=O)[O-] ZINC000000976188 568758871 /nfs/dbraw/zinc/75/88/71/568758871.db2.gz XBVLTNXIIAASSC-UHFFFAOYSA-N 0 0 413.437 4.467 50 5 HIBARN CCn1c(SCC(=O)Nc2ccccc2Cl)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000000976276 568758903 /nfs/dbraw/zinc/75/89/03/568758903.db2.gz NFIDIICPAUYSSJ-UHFFFAOYSA-N 0 0 417.878 4.257 50 5 HIBARN CCCCn1c(=O)nc2n(-c3ccc(N(CC)CC)cc3)c3ccccc3cc-2c1=O ZINC000096592107 568763115 /nfs/dbraw/zinc/76/31/15/568763115.db2.gz SHYNWWZHDOFRLE-UHFFFAOYSA-N 0 0 416.525 4.299 50 5 HIBARN CCOC(=O)c1cc([N+](=O)[O-])cnc1/C=C\c1c(C)nn(-c2ccccc2)c1Cl ZINC000096920776 568765336 /nfs/dbraw/zinc/76/53/36/568765336.db2.gz ZARCXLTZWCXXRU-KTKRTIGZSA-N 0 0 412.833 4.484 50 5 HIBARN COC(=O)c1ccc(OCC(=O)Nc2ccc(Oc3ccccc3)cc2)c([N+](=O)[O-])c1 ZINC000022222823 568765520 /nfs/dbraw/zinc/76/55/20/568765520.db2.gz JMNWAEMBQMAPPZ-UHFFFAOYSA-N 0 0 422.393 4.191 50 5 HIBARN O=C(Nc1ccc(Br)cc1Br)c1ccccc1[N+](=O)[O-] ZINC000002742495 568770299 /nfs/dbraw/zinc/77/02/99/568770299.db2.gz SVCZCTMXJPCZKJ-UHFFFAOYSA-N 0 0 400.026 4.372 50 5 HIBARN O=C(NC(=S)Nc1ccc(Br)c(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000001111528 568770547 /nfs/dbraw/zinc/77/05/47/568770547.db2.gz HMLJDXGTVPCPAA-UHFFFAOYSA-N 0 0 414.668 4.138 50 5 HIBARN O=C(/C=C/c1ccccc1[N+](=O)[O-])Nc1nnc(Cc2ccc(Cl)cc2)s1 ZINC000001131504 568773099 /nfs/dbraw/zinc/77/30/99/568773099.db2.gz VFVWRAXFQSRVJD-JXMROGBWSA-N 0 0 400.847 4.342 50 5 HIBARN COc1ccc([N+](=O)[O-])cc1NC(=O)C1(c2ccc(OC)c(OC)c2)CCCCC1 ZINC000001133180 568773244 /nfs/dbraw/zinc/77/32/44/568773244.db2.gz KMPQJZBBLJHYIF-UHFFFAOYSA-N 0 0 414.458 4.461 50 5 HIBARN O=C(Nc1c2c(nn1-c1ccc(Cl)cc1)CSC2)c1ccc([N+](=O)[O-])cc1 ZINC000002474935 568773771 /nfs/dbraw/zinc/77/37/71/568773771.db2.gz YEXIJCPMWROAEB-UHFFFAOYSA-N 0 0 400.847 4.433 50 5 HIBARN Cc1cccc(NC(=O)C2=C(C)NC(=O)N[C@@H]2c2ccc(Cl)c([N+](=O)[O-])c2)c1C ZINC000001157535 568774411 /nfs/dbraw/zinc/77/44/11/568774411.db2.gz SHWRECAIHPNGLK-GOSISDBHSA-N 0 0 414.849 4.132 50 5 HIBARN Cc1cc(C(=O)OCC(=O)c2ccc(OC(=O)c3ccccc3)cc2)ccc1[N+](=O)[O-] ZINC000001164930 568775709 /nfs/dbraw/zinc/77/57/09/568775709.db2.gz IBRCOUAFIGTAGO-UHFFFAOYSA-N 0 0 419.389 4.162 50 5 HIBARN O=C(Nc1cccc(NC(=O)c2cccc([N+](=O)[O-])c2)c1)c1cccc([N+](=O)[O-])c1 ZINC000002506202 568776688 /nfs/dbraw/zinc/77/66/88/568776688.db2.gz RVXLBJBAHDYPSI-UHFFFAOYSA-N 0 0 406.354 4.008 50 5 HIBARN O=C(COc1ncnc2scc(-c3ccccc3)c21)Nc1cccc([N+](=O)[O-])c1 ZINC000002631174 568791007 /nfs/dbraw/zinc/79/10/07/568791007.db2.gz QBMUGDYJWGRWEN-UHFFFAOYSA-N 0 0 406.423 4.284 50 5 HIBARN O=C(Nc1cc([N+](=O)[O-])ccc1F)N[C@]1(C(F)(F)F)Oc2ccc(Cl)cc2O1 ZINC000002725356 568802852 /nfs/dbraw/zinc/80/28/52/568802852.db2.gz ZMMORUZCRFXZCC-OAHLLOKOSA-N 0 0 421.690 4.196 50 5 HIBARN Cc1cc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)c(C)cc1I ZINC000002856803 568813341 /nfs/dbraw/zinc/81/33/41/568813341.db2.gz WWGLOCLPJRVSFQ-UHFFFAOYSA-N 0 0 410.211 4.377 50 5 HIBARN O=[N+]([O-])c1ccc(-c2nn3c(nnc3-c3ccccc3Br)s2)cc1 ZINC000002875950 568813872 /nfs/dbraw/zinc/81/38/72/568813872.db2.gz IJCSNGVCWKVHOQ-UHFFFAOYSA-N 0 0 402.233 4.191 50 5 HIBARN Cc1cc(Br)cc(C)c1NC(=S)NC(=O)c1cccc([N+](=O)[O-])c1C ZINC000001181420 568821638 /nfs/dbraw/zinc/82/16/38/568821638.db2.gz ZDFGOUZLXZAXOK-UHFFFAOYSA-N 0 0 422.304 4.409 50 5 HIBARN CCOC(=O)c1ccc2c(c1)nc(-c1ccc(N3CCCC3)c([N+](=O)[O-])c1)n2CC ZINC000005901323 568829184 /nfs/dbraw/zinc/82/91/84/568829184.db2.gz HZUXJEUOZNMSJC-UHFFFAOYSA-N 0 0 408.458 4.408 50 5 HIBARN O=C(COC(=O)c1ccccc1C(F)(F)F)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000005977364 568833391 /nfs/dbraw/zinc/83/33/91/568833391.db2.gz YXESFOHAWRMOFF-UHFFFAOYSA-N 0 0 402.712 4.063 50 5 HIBARN C[C@H](OC(=O)C1c2ccccc2Oc2ccccc21)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000003253290 568848899 /nfs/dbraw/zinc/84/88/99/568848899.db2.gz LXNKKWLBTIMBFT-AWEZNQCLSA-N 0 0 418.405 4.403 50 5 HIBARN O=C1OC(c2ccc([N+](=O)[O-])cc2Cl)=N/C1=C\c1cccc(Br)c1 ZINC000003064960 568853270 /nfs/dbraw/zinc/85/32/70/568853270.db2.gz KOEXVNYZYGDWMF-AUWJEWJLSA-N 0 0 407.607 4.355 50 5 HIBARN CCOc1cc2c(cc1N[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)O[C@@H](C)C2 ZINC000012562549 568858925 /nfs/dbraw/zinc/85/89/25/568858925.db2.gz MXECPFYVBMSFJU-NWDGAFQWSA-N 0 0 419.865 4.409 50 5 HIBARN Cc1nc(NC(=O)c2ccc(Br)c([N+](=O)[O-])c2)sc1-c1ccccn1 ZINC000012563526 568859413 /nfs/dbraw/zinc/85/94/13/568859413.db2.gz YYZZSGARAVUGSY-UHFFFAOYSA-N 0 0 419.260 4.437 50 5 HIBARN O=C(COC(=O)Cc1ccc(Cl)cc1Cl)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000003231724 568865096 /nfs/dbraw/zinc/86/50/96/568865096.db2.gz CZPBGGYVGITKSM-UHFFFAOYSA-N 0 0 417.632 4.279 50 5 HIBARN O=C(Nc1ccc(-c2ccccc2)cc1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000058002862 568873769 /nfs/dbraw/zinc/87/37/69/568873769.db2.gz CKYLOXNCYQDTQJ-UHFFFAOYSA-N 0 0 403.442 4.011 50 5 HIBARN CC1=C(C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H](c2cccc(Cl)c2Cl)NC(=O)N1 ZINC000012621677 568877484 /nfs/dbraw/zinc/87/74/84/568877484.db2.gz HGOBSLJNMZFRKJ-INIZCTEOSA-N 0 0 421.240 4.168 50 5 HIBARN COc1ccc(C2=N/C(=C\c3cc4cc(C)ccc4nc3Cl)C(=O)O2)cc1[N+](=O)[O-] ZINC000003318270 568879801 /nfs/dbraw/zinc/87/98/01/568879801.db2.gz NGOQSBNSOWDFSB-SXGWCWSVSA-N 0 0 423.812 4.458 50 5 HIBARN Cc1c(C(=O)NC(=S)N(Cc2ccccc2)c2ccccn2)cccc1[N+](=O)[O-] ZINC000003323405 568880826 /nfs/dbraw/zinc/88/08/26/568880826.db2.gz YODRXBPJAAYPSY-UHFFFAOYSA-N 0 0 406.467 4.020 50 5 HIBARN CC(C)CCOc1cccc(OCC(=O)OCCOc2ccc([N+](=O)[O-])cc2)c1 ZINC000004071108 568882117 /nfs/dbraw/zinc/88/21/17/568882117.db2.gz PYYVGUXRKNWSOW-UHFFFAOYSA-N 0 0 403.431 4.021 50 5 HIBARN CCc1nc2sc([C@H](c3ccc([N+](=O)[O-])cc3)[NH+]3C[C@H](C)C[C@@H](C)C3)c([O-])n2n1 ZINC000015391752 568885385 /nfs/dbraw/zinc/88/53/85/568885385.db2.gz NTBYDPFFWWZCHX-XNJGSVPQSA-N 0 0 415.519 4.034 50 5 HIBARN Cc1cc(C(=O)OCC(=O)Nc2c(Cl)cccc2C(F)(F)F)ccc1[N+](=O)[O-] ZINC000003401694 568896838 /nfs/dbraw/zinc/89/68/38/568896838.db2.gz JMCYNUHFGQGEKQ-UHFFFAOYSA-N 0 0 416.739 4.371 50 5 HIBARN CCOC(=O)COc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)c(Cl)cc1Cl ZINC000001392317 568924919 /nfs/dbraw/zinc/92/49/19/568924919.db2.gz VCJUBEPPOSTDAJ-UHFFFAOYSA-N 0 0 413.213 4.096 50 5 HIBARN O=C1c2ccccc2N[C@@H](c2cccn2-c2ccc([N+](=O)[O-])cc2)N1C[C@@H]1CCCO1 ZINC000015504218 568940205 /nfs/dbraw/zinc/94/02/05/568940205.db2.gz RKSSJYOOHYCKOB-PGRDOPGGSA-N 0 0 418.453 4.131 50 5 HIBARN O=C(COc1ccc2c(c1)oc(=O)c1ccccc12)NCCc1c[nH]c2ccccc12 ZINC000004085052 568940179 /nfs/dbraw/zinc/94/01/79/568940179.db2.gz QYHAKZMDTOZFOD-UHFFFAOYSA-N 0 0 412.445 4.165 50 5 biogenic HIBARN Cc1cc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)nc2c3ccccc3oc(=O)c12 ZINC000004108207 568943753 /nfs/dbraw/zinc/94/37/53/568943753.db2.gz UAPUANSXPCTMSS-UHFFFAOYSA-N 0 0 409.785 4.464 50 5 HIBARN CCCCOC(=O)c1ccc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1 ZINC000004122605 568944633 /nfs/dbraw/zinc/94/46/33/568944633.db2.gz WPAZYQSDQTVINA-UHFFFAOYSA-N 0 0 411.458 4.404 50 5 HIBARN O=C(Nc1ccc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1)c1ccco1 ZINC000004122628 568944687 /nfs/dbraw/zinc/94/46/87/568944687.db2.gz RSOIYGMLTUIMBJ-UHFFFAOYSA-N 0 0 420.425 4.293 50 5 HIBARN O=C(Nc1ccccc1[N+](=O)[O-])N[C@]1(C(F)(F)F)Oc2ccc(Cl)cc2O1 ZINC000004128628 568945208 /nfs/dbraw/zinc/94/52/08/568945208.db2.gz SBXAOOLEPPCHRX-OAHLLOKOSA-N 0 0 403.700 4.057 50 5 HIBARN Cc1cc(C)nc(SCC(=O)N(Cc2cccs2)c2ccc([N+](=O)[O-])cc2)n1 ZINC000004179491 568948272 /nfs/dbraw/zinc/94/82/72/568948272.db2.gz FWCCWSLREMUIHG-UHFFFAOYSA-N 0 0 414.512 4.389 50 5 HIBARN NC(=O)N1N=C2/C(=C/c3ccc([N+](=O)[O-])cc3)CCC[C@@H]2[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000038203005 568978922 /nfs/dbraw/zinc/97/89/22/568978922.db2.gz WCYOCJHQNJEGLJ-KXXLANPWSA-N 0 0 421.413 4.178 50 5 HIBARN COc1ccc(CN(C(=O)c2ccc(Br)c([N+](=O)[O-])c2)C2CC2)cc1 ZINC000008164523 568979503 /nfs/dbraw/zinc/97/95/03/568979503.db2.gz QZWXWRUWYCXMHQ-UHFFFAOYSA-N 0 0 405.248 4.171 50 5 HIBARN COc1ccccc1CCNC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000006085395 568997488 /nfs/dbraw/zinc/99/74/88/568997488.db2.gz BYFPJANETCODSC-UHFFFAOYSA-N 0 0 400.818 4.489 50 5 HIBARN Cc1ccc(NC(=O)[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)C(C)C)cc1C ZINC000008428979 569002460 /nfs/dbraw/zinc/00/24/60/569002460.db2.gz GDNIJIJSIUYLLG-SFHVURJKSA-N 0 0 403.866 4.258 50 5 HIBARN Cc1nc(Nc2ccc(NC(=O)c3ccccc3[N+](=O)[O-])cc2)cc(N2CCCC2)n1 ZINC000015838350 569013649 /nfs/dbraw/zinc/01/36/49/569013649.db2.gz ZCDZZBWOWCXCBO-UHFFFAOYSA-N 0 0 418.457 4.289 50 5 HIBARN Cc1nn(-c2nc3ccc(C)cc3s2)c2c1[C@@H](c1cccc([N+](=O)[O-])c1)CC(=O)N2 ZINC000015868289 569017058 /nfs/dbraw/zinc/01/70/58/569017058.db2.gz JCHRRPZXTVQWFR-OAHLLOKOSA-N 0 0 419.466 4.481 50 5 HIBARN O=C1c2ccccc2C(=O)N1c1cccc(-c2nc(-c3cccc([N+](=O)[O-])c3)no2)c1 ZINC000015946999 569023811 /nfs/dbraw/zinc/02/38/11/569023811.db2.gz YUYPPUXGVHJPTO-UHFFFAOYSA-N 0 0 412.361 4.112 50 5 HIBARN CCOc1cc2c(cc1NC(=O)c1ccc(N3CCCC3)c([N+](=O)[O-])c1)O[C@H](C)C2 ZINC000016302601 569031013 /nfs/dbraw/zinc/03/10/13/569031013.db2.gz WUTWBNZHQNIXRY-CQSZACIVSA-N 0 0 411.458 4.169 50 5 HIBARN Cc1cc(-c2ccc(/C=c3\sc4nc5ccccc5n4c3=O)o2)c(C)c([N+](=O)[O-])c1 ZINC000006459142 569053252 /nfs/dbraw/zinc/05/32/52/569053252.db2.gz BRJXHBOHLROBQQ-JAIQZWGSSA-N 0 0 417.446 4.242 50 5 HIBARN O=[N+]([O-])c1cccc(S(=O)(=O)N(Cc2cccc(F)c2)c2cccc(F)c2)c1 ZINC000036247306 569116494 /nfs/dbraw/zinc/11/64/94/569116494.db2.gz JZNVGNWPKKUNNC-UHFFFAOYSA-N 0 0 404.394 4.269 50 5 HIBARN Cc1cccc(CN(c2cccc(F)c2)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000036247937 569117232 /nfs/dbraw/zinc/11/72/32/569117232.db2.gz XEWTVIRGTBVLKK-UHFFFAOYSA-N 0 0 400.431 4.438 50 5 HIBARN O=C(c1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](OCc2cccc(OC(F)(F)F)c2)C1 ZINC000036315466 569134839 /nfs/dbraw/zinc/13/48/39/569134839.db2.gz JYDUYCWWTRKPHX-GOSISDBHSA-N 0 0 424.375 4.315 50 5 HIBARN Cc1cccc(C(=O)NC[C@H](c2ccccc2)N2CCc3sccc3C2)c1[N+](=O)[O-] ZINC000036391310 569166422 /nfs/dbraw/zinc/16/64/22/569166422.db2.gz QRDBDGFGAIBGKO-HXUWFJFHSA-N 0 0 421.522 4.494 50 5 HIBARN CCOC(=O)c1sc(Nc2cccc(C)c2)nc1Cn1nc(C)c([N+](=O)[O-])c1C ZINC000036613082 569209038 /nfs/dbraw/zinc/20/90/38/569209038.db2.gz SHJYDURNOKWDBZ-UHFFFAOYSA-N 0 0 415.475 4.142 50 5 HIBARN C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)c1ccc(Cl)c(N2CCCC2=O)c1 ZINC000007068998 569216279 /nfs/dbraw/zinc/21/62/79/569216279.db2.gz DRHYSKWEVXISFO-CYBMUJFWSA-N 0 0 401.850 4.208 50 5 HIBARN Cc1ccc(OCc2cccc(COc3ccc(C)nc3[N+](=O)[O-])c2)c([N+](=O)[O-])n1 ZINC000007229674 569229380 /nfs/dbraw/zinc/22/93/80/569229380.db2.gz BCCDCMIBOWXCQW-UHFFFAOYSA-N 0 0 410.386 4.068 50 5 HIBARN Cc1cc(C)c(NC(=O)[C@H](C)OC(=O)CCCNc2ccccc2[N+](=O)[O-])c(C)c1 ZINC000007372375 569235879 /nfs/dbraw/zinc/23/58/79/569235879.db2.gz HUIPDQOFAHIQRJ-KRWDZBQOSA-N 0 0 413.474 4.283 50 5 HIBARN COc1cc(C=C2SC(=S)NC2=O)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000002070565 569262325 /nfs/dbraw/zinc/26/23/25/569262325.db2.gz AHVXJVBZXZTIJP-OQLLNIDSSA-N 0 0 416.436 4.152 50 5 HIBARN O=C(Cc1coc(-c2ccccc2)n1)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000089851329 569267264 /nfs/dbraw/zinc/26/72/64/569267264.db2.gz URBANJWDTJWGSR-UHFFFAOYSA-N 0 0 402.204 4.194 50 5 HIBARN CCOc1ccc(CN(C)[C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1OC ZINC000007592480 569283851 /nfs/dbraw/zinc/28/38/51/569283851.db2.gz CCZBYHBEVRGPQR-AWEZNQCLSA-N 0 0 412.446 4.245 50 5 HIBARN Cc1cc(-c2ccc(C=c3sc4nc5ccccc5n4c3=O)o2)c([N+](=O)[O-])cc1C ZINC000252668204 569319100 /nfs/dbraw/zinc/31/91/00/569319100.db2.gz DXYOEKGMKMUVMT-UHFFFAOYSA-N 0 0 417.446 4.242 50 5 HIBARN Cc1ccc(-c2nnc3n2CCCCC3)cc1NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000027629364 569381032 /nfs/dbraw/zinc/38/10/32/569381032.db2.gz FAIPCQJSNRXFOG-UHFFFAOYSA-N 0 0 405.458 4.069 50 5 HIBARN COc1cc(/C=C/c2ccc3cccc(OC(C)=O)c3n2)c(OC(C)=O)c([N+](=O)[O-])c1 ZINC000012380047 569400677 /nfs/dbraw/zinc/40/06/77/569400677.db2.gz QZRWEMPEDFWPQC-CSKARUKUSA-N 0 0 422.393 4.173 50 5 HIBARN COC(=O)c1ccccc1C(=O)c1ccc(Sc2nc(C)cc(C)n2)c([N+](=O)[O-])c1 ZINC000012446264 569401381 /nfs/dbraw/zinc/40/13/81/569401381.db2.gz GTTSYYLPNVNXMS-UHFFFAOYSA-N 0 0 423.450 4.170 50 5 HIBARN Cc1ccc(C(=O)c2nccn2-c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000012447648 569401490 /nfs/dbraw/zinc/40/14/90/569401490.db2.gz JFPVQVFDIPIVBE-UHFFFAOYSA-N 0 0 420.303 4.247 50 5 HIBARN C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)[C@H]1CCCN(C(=O)Nc2ccccc2)C1 ZINC000007949565 569403063 /nfs/dbraw/zinc/40/30/63/569403063.db2.gz TVYXYIYENRSESV-AEFFLSMTSA-N 0 0 410.474 4.058 50 5 HIBARN Cc1c(NC(=O)c2ccccc2[N+](=O)[O-])cccc1C(=O)N1CCc2sccc2C1 ZINC000013012228 569406636 /nfs/dbraw/zinc/40/66/36/569406636.db2.gz XPDYHFLRTUREAI-UHFFFAOYSA-N 0 0 421.478 4.416 50 5 HIBARN Cn1cnnc1Sc1ccc(C(=O)Nc2cc(Cl)cc(Cl)c2)cc1[N+](=O)[O-] ZINC000013149789 569409958 /nfs/dbraw/zinc/40/99/58/569409958.db2.gz ACKPITQJWFLFKG-UHFFFAOYSA-N 0 0 424.269 4.434 50 5 HIBARN Cc1cc(N2CCOCC2)nc2ccc(Oc3ccc4nsnc4c3[N+](=O)[O-])cc12 ZINC000019873519 569432224 /nfs/dbraw/zinc/43/22/24/569432224.db2.gz JVWOCFYPJZFWEH-UHFFFAOYSA-N 0 0 423.454 4.085 50 5 HIBARN CCOP(=O)(OCC)c1nc(-c2cccc([N+](=O)[O-])c2)oc1NCc1ccco1 ZINC000008868909 571129682 /nfs/dbraw/zinc/12/96/82/571129682.db2.gz ZATKVMNOMWNKTK-UHFFFAOYSA-N 0 0 421.346 4.346 50 5 HIBARN COc1cc(C(=O)N(C)[C@H](C)c2ccc(Cl)cc2)c([N+](=O)[O-])c(OC)c1OC ZINC000040069911 571150887 /nfs/dbraw/zinc/15/08/87/571150887.db2.gz GXIKUVHIIJUKEB-LLVKDONJSA-N 0 0 408.838 4.107 50 5 HIBARN Nc1ccc(C(c2ccc(N)c([N+](=O)[O-])c2)(C(F)(F)F)C(F)(F)F)cc1[N+](=O)[O-] ZINC000008926456 571160277 /nfs/dbraw/zinc/16/02/77/571160277.db2.gz KPPDNXBRICFWLV-UHFFFAOYSA-N 0 0 424.257 4.078 50 5 HIBARN O=C(NC[C@@H](c1ccccc1)N1CCc2sccc2C1)c1ccccc1[N+](=O)[O-] ZINC000040112618 571170913 /nfs/dbraw/zinc/17/09/13/571170913.db2.gz YSYUILXAYSUXGX-FQEVSTJZSA-N 0 0 407.495 4.186 50 5 HIBARN Cn1c(COc2ccc(Cl)cc2)nnc1SCCOc1cccc([N+](=O)[O-])c1 ZINC000040127293 571179013 /nfs/dbraw/zinc/17/90/13/571179013.db2.gz FHAQEQKLVAAELP-UHFFFAOYSA-N 0 0 420.878 4.127 50 5 HIBARN Cc1cc(SCC(=O)Nc2cccc([N+](=O)[O-])c2)n2ncc(-c3ccccc3)c2n1 ZINC000008969109 571194197 /nfs/dbraw/zinc/19/41/97/571194197.db2.gz MNIYDOPCOGFRNN-UHFFFAOYSA-N 0 0 419.466 4.344 50 5 HIBARN Cc1ccc(Nc2ncccc2[N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1Cl ZINC000009120759 571225567 /nfs/dbraw/zinc/22/55/67/571225567.db2.gz DAMPTXHKLULABT-UHFFFAOYSA-N 0 0 418.862 4.496 50 5 HIBARN O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1N[C@@H](c1ccccc1)C1CC1 ZINC000009339345 571249752 /nfs/dbraw/zinc/24/97/52/571249752.db2.gz XFKQDKPWGDVWIR-NRFANRHFSA-N 0 0 415.515 4.333 50 5 HIBARN CCCCOc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000009425360 571257676 /nfs/dbraw/zinc/25/76/76/571257676.db2.gz UJNREHMZPWDWRP-HXUWFJFHSA-N 0 0 424.457 4.040 50 5 HIBARN CCN(CC(=O)Nc1cc(C)c2c(=O)oc3ccccc3c2n1)Cc1ccccc1 ZINC000009608912 571273411 /nfs/dbraw/zinc/27/34/11/571273411.db2.gz SMGQJUQKBLHYFQ-UHFFFAOYSA-N 0 0 401.466 4.110 50 5 HIBARN CCc1ccc(-c2nc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)n[nH]2)cc1 ZINC000009631931 571274812 /nfs/dbraw/zinc/27/48/12/571274812.db2.gz TVQCPPIAOUIETF-UHFFFAOYSA-N 0 0 417.878 4.327 50 5 HIBARN O=C(NC[C@H](c1cccnc1)N1CCc2ccccc21)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000009708088 571280838 /nfs/dbraw/zinc/28/08/38/571280838.db2.gz PFCBKAWPXHNVNB-OAQYLSRUSA-N 0 0 422.872 4.177 50 5 HIBARN O=C(NC[C@@H](c1cccnc1)N1CCc2ccccc21)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000009708695 571280933 /nfs/dbraw/zinc/28/09/33/571280933.db2.gz PFCBKAWPXHNVNB-NRFANRHFSA-N 0 0 422.872 4.177 50 5 HIBARN CC1=C(C(=O)Nc2ccccc2Cl)[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)NC(=O)N1 ZINC000009764063 571284897 /nfs/dbraw/zinc/28/48/97/571284897.db2.gz KBQILLCFORCZLF-MRXNPFEDSA-N 0 0 421.240 4.168 50 5 HIBARN COc1ccc2sc(N(Cc3cccnc3)C(=O)c3ccccc3[N+](=O)[O-])nc2c1 ZINC000009829746 571287434 /nfs/dbraw/zinc/28/74/34/571287434.db2.gz ZQDOLLUOVGCVGR-UHFFFAOYSA-N 0 0 420.450 4.455 50 5 HIBARN CN(Cc1cccc(F)c1)C(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000009878520 571289384 /nfs/dbraw/zinc/28/93/84/571289384.db2.gz HAYWUGPVRLRXRJ-UHFFFAOYSA-N 0 0 414.359 4.006 50 5 HIBARN O=C(Nc1cccc([N+](=O)[O-])c1)c1cccn(Cc2cccc(C(F)(F)F)c2)c1=O ZINC000010187788 571296113 /nfs/dbraw/zinc/29/61/13/571296113.db2.gz GHWLGISZHAGCDT-UHFFFAOYSA-N 0 0 417.343 4.076 50 5 HIBARN Cc1csc2nc(-c3ccc(NC(=O)c4cc([N+](=O)[O-])cc([N+](=O)[O-])c4)cc3)cn12 ZINC000010251018 571298105 /nfs/dbraw/zinc/29/81/05/571298105.db2.gz XKTPGDUDDRBBQC-UHFFFAOYSA-N 0 0 423.410 4.440 50 5 HIBARN O=C(N/C=C/n1cnc2cc(C(F)(F)F)ccc21)c1cc([N+](=O)[O-])ccc1Cl ZINC000003198747 845009875 /nfs/dbraw/zinc/00/98/75/845009875.db2.gz WOGZABUPLPFTQG-AATRIKPKSA-N 0 0 410.739 4.475 50 5 HIBARN O=C1Nc2cc([N+](=O)[O-])ccc2NC(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]12 ZINC000005948364 845153366 /nfs/dbraw/zinc/15/33/66/845153366.db2.gz RRBANWVOPAFHKV-QZNJRLLKSA-N 0 0 411.417 4.009 50 5 HIBARN O=C(/C=C/c1nc2ccccc2s1)OCC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000009630776 845577807 /nfs/dbraw/zinc/57/78/07/845577807.db2.gz LGROTYWIMKVYAE-BQYQJAHWSA-N 0 0 417.830 4.053 50 5 HIBARN O=C(/C=C\c1ccccc1[N+](=O)[O-])OCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000034781773 848141606 /nfs/dbraw/zinc/14/16/06/848141606.db2.gz KLRIEMSZOXZIQO-NXVVXOECSA-N 0 0 416.433 4.057 50 5 HIBARN O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000001140378 132238779 /nfs/dbraw/zinc/23/87/79/132238779.db2.gz YZAJREDQEQMEOS-UHFFFAOYSA-N 0 0 413.783 4.229 50 5 HIBARN Cc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(NCC(C)(C)C)c3)CC2)cc1 ZINC000004703664 132284062 /nfs/dbraw/zinc/28/40/62/132284062.db2.gz YUNBHKMDHKXVST-UHFFFAOYSA-N 0 0 410.518 4.324 50 5 HIBARN Cc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(N4CCCCC4)c3)CC2)cc1C ZINC000004758044 132287846 /nfs/dbraw/zinc/28/78/46/132287846.db2.gz ODAMRJDZKANPNH-UHFFFAOYSA-N 0 0 422.529 4.164 50 5 HIBARN O=C(COc1ccc(C2CCCCC2)cc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000004811262 132289344 /nfs/dbraw/zinc/28/93/44/132289344.db2.gz PMVMWYBTLOKFBW-UHFFFAOYSA-N 0 0 423.513 4.370 50 5 HIBARN Cc1ccc(Cl)cc1N1CCN(C(=O)CSc2ccsc2[N+](=O)[O-])CC1 ZINC000004911244 132293676 /nfs/dbraw/zinc/29/36/76/132293676.db2.gz PMOHVCODQMBSET-UHFFFAOYSA-N 0 0 411.936 4.059 50 5 aggregator HIBARN Cc1ccc(C(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)c(C)c1 ZINC000004998409 132298072 /nfs/dbraw/zinc/29/80/72/132298072.db2.gz VDBJAZJPFAVLKH-UHFFFAOYSA-N 0 0 407.392 4.193 50 5 HIBARN O=C(c1cc(F)c(F)cc1Cl)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000008424377 132329985 /nfs/dbraw/zinc/32/99/85/132329985.db2.gz XVJXLUYKBXBXPX-UHFFFAOYSA-N 0 0 416.211 4.142 50 5 HIBARN O=C(Nc1ccc(OCC(F)(F)F)cc1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000010979409 132346976 /nfs/dbraw/zinc/34/69/76/132346976.db2.gz GZVYNOHBTNLMJJ-UHFFFAOYSA-N 0 0 423.391 4.391 50 5 HIBARN O=C(c1ccc2c(c1)OCCO2)C1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000014328459 132460239 /nfs/dbraw/zinc/46/02/39/132460239.db2.gz JWSQFIJLEIEBBL-UHFFFAOYSA-N 0 0 402.834 4.119 50 5 HIBARN CCOc1ccccc1/C=C/C(=O)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000015534069 132461728 /nfs/dbraw/zinc/46/17/28/132461728.db2.gz ZHPPHXURYGUNOH-JXMROGBWSA-N 0 0 415.877 4.009 50 5 HIBARN CCCCCCn1c(=O)c2ccccc2nc1SCCn1c(C)ncc1[N+](=O)[O-] ZINC000032777053 520139755 /nfs/dbraw/zinc/13/97/55/520139755.db2.gz RPKMQYNBAVIXNX-UHFFFAOYSA-N 0 0 415.519 4.182 50 5 HIBARN CC(C)(C)CNc1cc(N2CCN(C(=O)c3cccs3)CC2)ccc1[N+](=O)[O-] ZINC000004740968 534612626 /nfs/dbraw/zinc/61/26/26/534612626.db2.gz YZHNMKVOPZJAPS-UHFFFAOYSA-N 0 0 402.520 4.077 50 5 HIBARN Cc1cccc(CN2CCN(C(=O)c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)CC2)c1 ZINC000032678698 524400226 /nfs/dbraw/zinc/40/02/26/524400226.db2.gz KJVAAFONLQLXFV-UHFFFAOYSA-N 0 0 405.454 4.121 50 5 HIBARN O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1ccnn1C1CCCCC1 ZINC000032888273 527359316 /nfs/dbraw/zinc/35/93/16/527359316.db2.gz YUHYESQRVJCPBK-UHFFFAOYSA-N 0 0 400.482 4.495 50 5 HIBARN O=[N+]([O-])c1ccc2nc(Nc3ccc(S(=O)(=O)N4CCCCCC4)cc3)oc2c1 ZINC000032801391 527382379 /nfs/dbraw/zinc/38/23/79/527382379.db2.gz SPVDHAKKCGWTQS-UHFFFAOYSA-N 0 0 416.459 4.044 50 5 HIBARN CCc1ccc(Nc2ccc(N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)nn2)cc1 ZINC000004688176 536190353 /nfs/dbraw/zinc/19/03/53/536190353.db2.gz AEGGIVIMNDYYPN-UHFFFAOYSA-N 0 0 404.474 4.017 50 5 HIBARN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CCCc2cc(OC(F)(F)F)ccc21 ZINC000071895097 557504239 /nfs/dbraw/zinc/50/42/39/557504239.db2.gz ZQYFCUOJIHJBCW-UHFFFAOYSA-N 0 0 409.364 4.152 50 5 HIBARN O=c1c2ccccc2oc2nc(-c3cccs3)n(CCc3ccccc3)c(=O)c12 ZINC000002229931 557669063 /nfs/dbraw/zinc/66/90/63/557669063.db2.gz BLYVRFQRZFFPFV-UHFFFAOYSA-N 0 0 400.459 4.474 50 5 HIBARN COc1ccc(-c2nc3oc4ccccc4c(=O)c3c(=O)n2-c2ccc(C)cc2)cc1 ZINC000002360242 557698070 /nfs/dbraw/zinc/69/80/70/557698070.db2.gz ATZNRTNWWWOKAG-UHFFFAOYSA-N 0 0 410.429 4.476 50 5 HIBARN COc1ccccc1OCCCC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000004342347 558424316 /nfs/dbraw/zinc/42/43/16/558424316.db2.gz LIFZAIYCCPONFW-UHFFFAOYSA-N 0 0 409.236 4.164 50 5 HIBARN CCOC(=O)c1c(NC(=O)COc2ccccc2[N+](=O)[O-])sc2c1CCCCC2 ZINC000004577543 558740494 /nfs/dbraw/zinc/74/04/94/558740494.db2.gz MWTJBRCXDYHODJ-UHFFFAOYSA-N 0 0 418.471 4.119 50 5 HIBARN O=C(CSc1nc2cc([N+](=O)[O-])ccc2[nH]1)NCCC12CC3CC(CC(C3)C1)C2 ZINC000004576396 558740531 /nfs/dbraw/zinc/74/05/31/558740531.db2.gz PVOITDLITZQQCU-UHFFFAOYSA-N 0 0 414.531 4.286 50 5 HIBARN CCOc1cc(C(=O)N2CC=C(c3c[nH]c4ccccc43)CC2)c([N+](=O)[O-])cc1OC ZINC000011075641 558748414 /nfs/dbraw/zinc/74/84/14/558748414.db2.gz UJNZUQCTGPYBRJ-UHFFFAOYSA-N 0 0 421.453 4.413 50 5 HIBARN CCOC(=O)C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccc(OCC)cc1 ZINC000004653346 558869598 /nfs/dbraw/zinc/86/95/98/558869598.db2.gz GKZJJVYCKCEDCT-GOSISDBHSA-N 0 0 420.849 4.071 50 5 HIBARN Cc1c(C(=O)Nc2nnc(COc3ccc(Cl)cc3)s2)cccc1[N+](=O)[O-] ZINC000004696181 558900812 /nfs/dbraw/zinc/90/08/12/558900812.db2.gz FQZGOZXDSVJDBD-UHFFFAOYSA-N 0 0 404.835 4.239 50 5 HIBARN Cn1c(SCc2cccc(Br)c2)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000004691487 558905211 /nfs/dbraw/zinc/90/52/11/558905211.db2.gz GICMHRGYBKBUOX-UHFFFAOYSA-N 0 0 405.277 4.445 50 5 HIBARN Cc1ccc(NC(=O)CCC(=O)OCC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1C ZINC000004701995 558906632 /nfs/dbraw/zinc/90/66/32/558906632.db2.gz VAOVQUBFLDMZGR-UHFFFAOYSA-N 0 0 418.833 4.010 50 5 HIBARN C[C@@H](NC(=O)c1ccccc1NC(=O)Cc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000004703269 558912961 /nfs/dbraw/zinc/91/29/61/558912961.db2.gz UVLPZJAHZDLBTM-MRXNPFEDSA-N 0 0 403.438 4.267 50 5 HIBARN CC(C)(C)N(Cc1ccccc1)C(=O)COC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000004808346 559068560 /nfs/dbraw/zinc/06/85/60/559068560.db2.gz XNQDMKRIZHZVQC-UHFFFAOYSA-N 0 0 404.850 4.232 50 5 HIBARN O=C1S/C(=C\c2cc([N+](=O)[O-])ccc2Cl)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 ZINC000033362757 559068895 /nfs/dbraw/zinc/06/88/95/559068895.db2.gz GVZIYHAHELBUIR-NVNXTCNLSA-N 0 0 419.802 4.393 50 5 HIBARN Cc1ccccc1NC(=O)/C(=C\c1cccc([N+](=O)[O-])c1)NC(=O)c1cccs1 ZINC000004827611 559155313 /nfs/dbraw/zinc/15/53/13/559155313.db2.gz WWYJROFKGNTVJB-QGOAFFKASA-N 0 0 407.451 4.374 50 5 HIBARN CCC[C@@H]1CCc2c(sc(NC(=O)/C=C\c3ccc([N+](=O)[O-])cc3)c2C(N)=O)C1 ZINC000033455782 559193993 /nfs/dbraw/zinc/19/39/93/559193993.db2.gz KBOGDXRUAUCMKZ-SMJHDNPOSA-N 0 0 413.499 4.312 50 5 HIBARN Cc1cc2nnc(SCc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)n2c2ccccc12 ZINC000033462722 559195436 /nfs/dbraw/zinc/19/54/36/559195436.db2.gz KDFFTHYRKVPXLO-UHFFFAOYSA-N 0 0 418.438 4.441 50 5 HIBARN CNC(=O)c1c(C)c(C)sc1NC(=O)c1cc2c(ccc3ccccc32)oc1=O ZINC000005144953 559252482 /nfs/dbraw/zinc/25/24/82/559252482.db2.gz OWIXUZBIGUBKAY-UHFFFAOYSA-N 0 0 406.463 4.236 50 5 HIBARN COc1cccc(-c2ccc(-c3noc(-c4cccc([N+](=O)[O-])c4)n3)c(OC)n2)c1 ZINC000005163609 559275506 /nfs/dbraw/zinc/27/55/06/559275506.db2.gz ZUVDVBOZJDKRBR-UHFFFAOYSA-N 0 0 404.382 4.391 50 5 HIBARN Cc1ccnc(N2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2cccc([N+](=O)[O-])c2)c1 ZINC000005164787 559276992 /nfs/dbraw/zinc/27/69/92/559276992.db2.gz GTCLBBDOQPFYGW-HXUWFJFHSA-N 0 0 413.389 4.154 50 5 HIBARN COc1cc([N+](=O)[O-])ccc1NC(=O)/C(=C\c1ccccc1)NC(=O)c1ccccc1 ZINC000005186929 559290843 /nfs/dbraw/zinc/29/08/43/559290843.db2.gz SLRHXIUCCYNNMI-XSFVSMFZSA-N 0 0 417.421 4.013 50 5 HIBARN Cc1c(C(=O)Nc2cccc([N+](=O)[O-])c2)cnn1-c1ccc(Br)cc1 ZINC000024371181 560759328 /nfs/dbraw/zinc/75/93/28/560759328.db2.gz LBXHWLBJTQHQJC-UHFFFAOYSA-N 0 0 401.220 4.104 50 5 HIBARN CC(C)CSc1ccc(C(=O)N(C)Cc2ccc3c(c2)OCO3)cc1[N+](=O)[O-] ZINC000018155840 560780276 /nfs/dbraw/zinc/78/02/76/560780276.db2.gz KMQGIGCSRZWFJW-UHFFFAOYSA-N 0 0 402.472 4.344 50 5 HIBARN CC(C)OC(=O)c1c2nc3ccccc3nc2n2c1[nH]c(=O)c1ccc(Cl)cc12 ZINC000005690053 560785094 /nfs/dbraw/zinc/78/50/94/560785094.db2.gz ZAALNQJAPSPZIJ-UHFFFAOYSA-N 0 0 406.829 4.096 50 5 HIBARN CCCN(CCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C(=O)CCc1ccccc1 ZINC000103193786 560840164 /nfs/dbraw/zinc/84/01/64/560840164.db2.gz PWWXVIDZOJMJSW-UHFFFAOYSA-N 0 0 408.458 4.059 50 5 HIBARN Cc1ccc(C(=O)NC[C@H](c2cccs2)N2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000022907848 568416004 /nfs/dbraw/zinc/41/60/04/568416004.db2.gz BOYLHIUJXOOFKN-OAQYLSRUSA-N 0 0 421.522 4.494 50 5 HIBARN CC(=O)Oc1cccc(N2C(=O)c3ccc(Oc4cccc([N+](=O)[O-])c4)cc3C2=O)c1 ZINC000000793762 568478481 /nfs/dbraw/zinc/47/84/81/568478481.db2.gz OWTQRGYKAQFSLK-UHFFFAOYSA-N 0 0 418.361 4.113 50 5 HIBARN CC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@H]12 ZINC000000835810 568501666 /nfs/dbraw/zinc/50/16/66/568501666.db2.gz IHITZEHWKGKLRG-LQDNNDEMSA-N 0 0 410.429 4.166 50 5 HIBARN O=C(/C=C/c1ccccc1)N[C@H](Oc1cccc([N+](=O)[O-])c1)C(Cl)(Cl)Cl ZINC000000836583 568501721 /nfs/dbraw/zinc/50/17/21/568501721.db2.gz UXCGKJUYJZPQTC-ZNFPLGDCSA-N 0 0 415.660 4.500 50 5 HIBARN Cc1cc(NC(=O)/C=C/c2cccc(Oc3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)c2)no1 ZINC000020353800 568599618 /nfs/dbraw/zinc/59/96/18/568599618.db2.gz FUOZZVRBKIKZJJ-AATRIKPKSA-N 0 0 410.342 4.244 50 5 HIBARN CC(C)(C)NC(=O)c1cccc(N2C(=O)c3cccc4c([N+](=O)[O-])ccc(c43)C2=O)c1 ZINC000020467968 568610468 /nfs/dbraw/zinc/61/04/68/568610468.db2.gz LYFSDSSWZYHNTL-UHFFFAOYSA-N 0 0 417.421 4.077 50 5 HIBARN C[C@H](CCc1ccccc1)NC(=O)c1nn(C23CC4CC(CC(C4)C2)C3)cc1[N+](=O)[O-] ZINC000020516264 568623713 /nfs/dbraw/zinc/62/37/13/568623713.db2.gz ZNFNLEWLDYKSHB-SGGRRFJASA-N 0 0 422.529 4.468 50 5 HIBARN 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419.437 4.153 50 5 HIBARN O=[N+]([O-])c1cccc(C2=Nc3ncnn3[C@H](c3cc(Br)ccc3F)C2)c1 ZINC000101060316 560768685 /nfs/dbraw/zinc/76/86/85/560768685.db2.gz SHRIHTZTXSJPFE-INIZCTEOSA-N 0 0 416.210 4.144 50 5 HIBARN Cc1sc2c(c1C)c(=O)[nH]c1c(C(=O)OC(C)C)c3nc4ccccc4nc3n12 ZINC000005695797 560786401 /nfs/dbraw/zinc/78/64/01/560786401.db2.gz JBPCFSFSYZXCIO-UHFFFAOYSA-N 0 0 406.467 4.121 50 5 HIBARN COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)c1ccc([N+](=O)[O-])o1)CC2 ZINC000024445035 560817018 /nfs/dbraw/zinc/81/70/18/560817018.db2.gz UFIHONUGDSBWIF-LJQANCHMSA-N 0 0 414.439 4.054 50 5 HIBARN C[C@H](OC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)C(=O)c1cccc(Cl)c1 ZINC000018325405 560827970 /nfs/dbraw/zinc/82/79/70/560827970.db2.gz LUHDPCDJBQHWHD-AWEZNQCLSA-N 0 0 416.861 4.279 50 5 HIBARN CCCCN(CCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C(=O)CCc1ccccc1 ZINC000103065739 560837336 /nfs/dbraw/zinc/83/73/36/560837336.db2.gz YCEMFJXTLLEJIP-UHFFFAOYSA-N 0 0 422.485 4.449 50 5 HIBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1NC(C)(C)C ZINC000103749845 560844486 /nfs/dbraw/zinc/84/44/86/560844486.db2.gz PEUILYIMOCVVDI-UHFFFAOYSA-N 0 0 417.378 4.182 50 5 HIBARN CCN(c1ccccc1)S(=O)(=O)c1ccc(Oc2ccc(C)nc2)c([N+](=O)[O-])c1 ZINC000048354414 568441078 /nfs/dbraw/zinc/44/10/78/568441078.db2.gz VCYPQMRZENECQS-UHFFFAOYSA-N 0 0 413.455 4.306 50 5 HIBARN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1Cn1nc(-c2cccnc2)n(C2CC2)c1=S ZINC000024654941 568455695 /nfs/dbraw/zinc/45/56/95/568455695.db2.gz WEIYKWSATVICDT-ZDUSSCGKSA-N 0 0 408.487 4.128 50 5 HIBARN O=C(Nc1ccc(I)cc1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000000677817 568460662 /nfs/dbraw/zinc/46/06/62/568460662.db2.gz BIGKXZAZCJHKJZ-UHFFFAOYSA-N 0 0 402.575 4.105 50 5 HIBARN O=C(N[C@H](Nc1ccccc1F)C(Cl)(Cl)Cl)c1ccccc1[N+](=O)[O-] ZINC000000824884 568497936 /nfs/dbraw/zinc/49/79/36/568497936.db2.gz LMCPXNAZHXEMCE-AWEZNQCLSA-N 0 0 406.628 4.272 50 5 HIBARN Cc1nn(-c2ccccc2)c(C)c1N1C(=O)c2cccc3c([N+](=O)[O-])ccc(c32)C1=O 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CO[C@](F)(C(=O)Nc1cc(Oc2ccc(F)cc2)cc([N+](=O)[O-])c1)C(F)(F)F ZINC000002491787 568775845 /nfs/dbraw/zinc/77/58/45/568775845.db2.gz ZRWHEVBODAPQMW-OAHLLOKOSA-N 0 0 406.263 4.339 50 5 HIBARN Cc1cc([N+](=O)[O-])nn1Cc1ccccc1C(=O)Nc1ccccc1OC(F)F ZINC000002796546 568809467 /nfs/dbraw/zinc/80/94/67/568809467.db2.gz UBZODFRSEMOMCD-UHFFFAOYSA-N 0 0 402.357 4.002 50 5 HIBARN Cc1cc2nc3s/c(=C\c4ccc(-c5cccc([N+](=O)[O-])c5)o4)c(=O)n3c2cc1C ZINC000002915844 568815635 /nfs/dbraw/zinc/81/56/35/568815635.db2.gz DXCLHFJVOPEQLC-JAIQZWGSSA-N 0 0 417.446 4.242 50 5 HIBARN COc1ccc(/C=C(/NC(=O)c2cccc([N+](=O)[O-])c2)C(=O)Nc2ccccc2)cc1 ZINC000001199265 568822681 /nfs/dbraw/zinc/82/26/81/568822681.db2.gz IFUHRLIWNYYIAP-KGENOOAVSA-N 0 0 417.421 4.013 50 5 HIBARN CCC[C@@H]1CCc2c(sc(NC(=O)c3ccc(C)c([N+](=O)[O-])c3)c2C(N)=O)C1 ZINC000001199993 568822730 /nfs/dbraw/zinc/82/27/30/568822730.db2.gz WWUZEGMSIIDGCM-GFCCVEGCSA-N 0 0 401.488 4.221 50 5 HIBARN Cc1ccc(C(=O)Nc2ccc(I)cc2Cl)cc1[N+](=O)[O-] ZINC000001217870 568824921 /nfs/dbraw/zinc/82/49/21/568824921.db2.gz GVJBCZMFJPOBNC-UHFFFAOYSA-N 0 0 416.602 4.414 50 5 HIBARN COc1cc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)ccc1NC(=O)c1ccco1 ZINC000001218299 568825087 /nfs/dbraw/zinc/82/50/87/568825087.db2.gz KGBXKRPGHWAPCM-UHFFFAOYSA-N 0 0 415.789 4.354 50 5 HIBARN O=C1c2cccc(F)c2C(=O)N1c1ccc(-c2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1 ZINC000002950353 568828916 /nfs/dbraw/zinc/82/89/16/568828916.db2.gz QIFAKANDVUTMGR-UHFFFAOYSA-N 0 0 402.341 4.078 50 5 HIBARN COc1ccc(C(=O)NC(=S)Nc2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] ZINC000002982171 568832934 /nfs/dbraw/zinc/83/29/34/568832934.db2.gz UKLDPNLNEDBIMU-UHFFFAOYSA-N 0 0 400.243 4.037 50 5 HIBARN O=C(NC(=S)Nc1cc([N+](=O)[O-])ccc1Cl)c1cccc(Br)c1 ZINC000002981873 568832956 /nfs/dbraw/zinc/83/29/56/568832956.db2.gz JZMOXXBPHCLALN-UHFFFAOYSA-N 0 0 414.668 4.138 50 5 HIBARN O=C(CCc1cccc(Cl)c1Cl)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000031684827 568837802 /nfs/dbraw/zinc/83/78/02/568837802.db2.gz PTAGAIOEVUZUNA-UHFFFAOYSA-N 0 0 408.285 4.183 50 5 HIBARN CN(Cc1cc([N+](=O)[O-])ccc1Cl)Cn1ncn(-c2ccccc2F)c1=S ZINC000012517585 568840821 /nfs/dbraw/zinc/84/08/21/568840821.db2.gz PXTDDIMYDQIDBT-UHFFFAOYSA-N 0 0 407.858 4.193 50 5 HIBARN C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)Cn1c2ccccc2nc1-c1cscn1 ZINC000012535644 568845110 /nfs/dbraw/zinc/84/51/10/568845110.db2.gz PGGIWEKGZVOBJP-CQSZACIVSA-N 0 0 421.482 4.288 50 5 HIBARN O=C(Nc1nc(-c2ccc3c(c2)OCO3)cs1)c1cc([N+](=O)[O-])ccc1Cl ZINC000003208686 568846490 /nfs/dbraw/zinc/84/64/90/568846490.db2.gz UPQOVAISHWKVPR-UHFFFAOYSA-N 0 0 403.803 4.353 50 5 HIBARN Cc1c(NC(=O)c2cccc(OCc3cn4ccccc4n3)c2)cccc1[N+](=O)[O-] ZINC000012559679 568857231 /nfs/dbraw/zinc/85/72/31/568857231.db2.gz RLTXFCQAZYZEGO-UHFFFAOYSA-N 0 0 402.410 4.382 50 5 HIBARN Cc1cc(OC(=O)c2ccc(F)cc2)c(Sc2ccccc2[N+](=O)[O-])c(=O)o1 ZINC000003206267 568861659 /nfs/dbraw/zinc/86/16/59/568861659.db2.gz PHGHNRKHRPEGJN-UHFFFAOYSA-N 0 0 401.371 4.366 50 5 HIBARN CC1=C(C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H](c2c(Cl)cccc2Cl)NC(=O)N1 ZINC000012619908 568872526 /nfs/dbraw/zinc/87/25/26/568872526.db2.gz ROFQYDKHHKWZLK-INIZCTEOSA-N 0 0 421.240 4.168 50 5 HIBARN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1CN1CCSCC1 ZINC000058139264 568889985 /nfs/dbraw/zinc/88/99/85/568889985.db2.gz CKPISKCWYAQEHF-OAHLLOKOSA-N 0 0 417.556 4.263 50 5 HIBARN C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N[C@@H]3CCOc4ccccc43)cc2[N+](=O)[O-])C1 ZINC000058157187 568893365 /nfs/dbraw/zinc/89/33/65/568893365.db2.gz XECNOKOLCLYDMH-GPMSIDNRSA-N 0 0 409.486 4.331 50 5 HIBARN Cc1cc(Br)cc(Cl)c1OCC(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000003411235 568898180 /nfs/dbraw/zinc/89/81/80/568898180.db2.gz RSXCGEWNOSDHCK-UHFFFAOYSA-N 0 0 417.618 4.476 50 5 HIBARN Cc1ccc2c(CC(=O)O[C@@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)coc2c1 ZINC000003427586 568900829 /nfs/dbraw/zinc/90/08/29/568900829.db2.gz JWIYUYMPXFDHCQ-LBPRGKRZSA-N 0 0 416.817 4.416 50 5 HIBARN CSCc1c2ccccc2oc1C(=O)O[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000003433295 568902013 /nfs/dbraw/zinc/90/20/13/568902013.db2.gz QUTSZCGTUNBABC-GFCCVEGCSA-N 0 0 414.439 4.388 50 5 HIBARN COc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1N1CCCCC1=O ZINC000005441962 568906881 /nfs/dbraw/zinc/90/68/81/568906881.db2.gz ZGCLDSWYJJGXDG-UHFFFAOYSA-N 0 0 403.822 4.026 50 5 HIBARN Cc1ccc(-c2nc3ncccc3o2)cc1NC(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000003670895 568924597 /nfs/dbraw/zinc/92/45/97/568924597.db2.gz UIKSNDMKLKGLIT-UHFFFAOYSA-N 0 0 419.353 4.267 50 5 HIBARN COc1ccc(-c2nc3ccccc3o2)cc1NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000001413849 568929311 /nfs/dbraw/zinc/92/93/11/568929311.db2.gz NKWQOEYOUSSMCK-UHFFFAOYSA-N 0 0 419.393 4.429 50 5 HIBARN O=C(Nc1ccccc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1NCCc1ccccc1 ZINC000004014438 568933324 /nfs/dbraw/zinc/93/33/24/568933324.db2.gz WEOKMUVKJLKNIA-UHFFFAOYSA-N 0 0 406.398 4.410 50 5 HIBARN Cc1ccc2[nH]c3c(cc(NCCCO)c4c(=O)c5ccccc5c(=O)c34)oc2c1 ZINC000004186624 568950133 /nfs/dbraw/zinc/95/01/33/568950133.db2.gz XLRVXXHFEAFJOE-UHFFFAOYSA-N 0 0 400.434 4.044 50 5 HIBARN Cc1cc(C)c(NC(=O)[C@H](C)Sc2n[nH]c(-c3ccccc3[N+](=O)[O-])n2)c(C)c1 ZINC000059377091 568952225 /nfs/dbraw/zinc/95/22/25/568952225.db2.gz HAQQSZGIBUVGOW-AWEZNQCLSA-N 0 0 411.487 4.424 50 5 HIBARN O=[N+]([O-])c1ccc2c(c1)S(=O)(=O)N=C2Nc1cc(Cl)c(Cl)cc1Cl ZINC000059383174 568952437 /nfs/dbraw/zinc/95/24/37/568952437.db2.gz MGNDKIUYTREOKH-UHFFFAOYSA-N 0 0 406.634 4.116 50 5 HIBARN O=C(CSc1ccc2nc(-c3ccccc3)cn2n1)Nc1ccc([N+](=O)[O-])cc1 ZINC000004251239 568955200 /nfs/dbraw/zinc/95/52/00/568955200.db2.gz HDKZQDMUNYZIAS-UHFFFAOYSA-N 0 0 405.439 4.035 50 5 HIBARN COc1ccc([C@H]2CCCCCN2CC(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1 ZINC000012784558 568959365 /nfs/dbraw/zinc/95/93/65/568959365.db2.gz LOTBMMVLMBKPMK-HXUWFJFHSA-N 0 0 413.474 4.168 50 5 HIBARN O=C(Cc1ccccc1)N[C@H](Oc1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)Cl ZINC000001446756 568968663 /nfs/dbraw/zinc/96/86/63/568968663.db2.gz KVVAPOPXHLLEMH-OAHLLOKOSA-N 0 0 403.649 4.029 50 5 HIBARN CCOc1ccc(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)cc1[N+](=O)[O-] ZINC000012809691 568979930 /nfs/dbraw/zinc/97/99/30/568979930.db2.gz GYQIUOKNUSOGMI-KRWDZBQOSA-N 0 0 412.442 4.132 50 5 HIBARN Cc1cccc(C(=O)N[C@@H](Nc2cccc([N+](=O)[O-])c2)C(Cl)(Cl)Cl)c1 ZINC000001452613 568986598 /nfs/dbraw/zinc/98/65/98/568986598.db2.gz MRPXKFUBGGRXCC-OAHLLOKOSA-N 0 0 402.665 4.441 50 5 HIBARN COc1n[nH]c(C(=O)Nc2nc(-c3ccc(Cl)c(Cl)c3)cs2)c1[N+](=O)[O-] ZINC000008440459 569003060 /nfs/dbraw/zinc/00/30/60/569003060.db2.gz NNSCNEJUQBWTDR-UHFFFAOYSA-N 0 0 414.230 4.009 50 5 HIBARN Cc1ccc2c(c1)[C@@H](c1ccccc1)N(C(=O)c1ccccc1[N+](=O)[O-])CC(=O)N2 ZINC000001509770 569007585 /nfs/dbraw/zinc/00/75/85/569007585.db2.gz KEOAHWKQEXGPHL-JOCHJYFZSA-N 0 0 401.422 4.087 50 5 HIBARN Cc1ccc(C(=O)NCC(=O)Nc2ccccc2Oc2ccccc2)cc1[N+](=O)[O-] ZINC000012887891 569019666 /nfs/dbraw/zinc/01/96/66/569019666.db2.gz DOXSIHXLMJUSNU-UHFFFAOYSA-N 0 0 405.410 4.064 50 5 HIBARN O=C(Nc1nc(-c2cc([N+](=O)[O-])cs2)cs1)c1ccc(Br)o1 ZINC000035586205 569046139 /nfs/dbraw/zinc/04/61/39/569046139.db2.gz MVTTWGUJYCCPEA-UHFFFAOYSA-N 0 0 400.235 4.388 50 5 HIBARN Nc1nc(N(Cc2ccco2)Cc2ccco2)nc(Nc2ccc(F)cc2)c1[N+](=O)[O-] ZINC000035681904 569049007 /nfs/dbraw/zinc/04/90/07/569049007.db2.gz VCIOLJSDRJTWMI-UHFFFAOYSA-N 0 0 424.392 4.243 50 5 HIBARN N=C(NC(=O)c1sc2cc([N+](=O)[O-])ccc2c1Cl)Nc1nc2ccccc2o1 ZINC000001815274 569056147 /nfs/dbraw/zinc/05/61/47/569056147.db2.gz XHXNTLSRSSPPOJ-UHFFFAOYSA-N 0 0 415.818 4.381 50 5 HIBARN O=[N+]([O-])c1cccc(-c2nccc(/C=C\c3cc(Br)cs3)[n+]2[O-])c1 ZINC000207704713 569057483 /nfs/dbraw/zinc/05/74/83/569057483.db2.gz JUKQJYNIVUKTJQ-PLNGDYQASA-N 0 0 404.245 4.285 50 5 HIBARN COc1ccc(-c2cc([N+](=O)[O-])ccc2O[C@@H](C)C(=O)NCc2ccccc2)cc1 ZINC000006537467 569064380 /nfs/dbraw/zinc/06/43/80/569064380.db2.gz DLJBCZINQYVPEI-INIZCTEOSA-N 0 0 406.438 4.354 50 5 HIBARN Cc1ccc(-c2noc(C3CCN(C(=O)c4ccc([N+](=O)[O-])c(C)c4)CC3)n2)cc1 ZINC000064818240 569102084 /nfs/dbraw/zinc/10/20/84/569102084.db2.gz BFIVFGLIWBCWOY-UHFFFAOYSA-N 0 0 406.442 4.281 50 5 HIBARN COc1ccc(N(Cc2ccccc2C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000036247349 569117054 /nfs/dbraw/zinc/11/70/54/569117054.db2.gz YULTZNBGABVLNR-UHFFFAOYSA-N 0 0 412.467 4.307 50 5 HIBARN COc1ccc([C@H]2c3cccn3CCCN2Cc2ccccc2[N+](=O)[O-])cc1OC ZINC000036347683 569144137 /nfs/dbraw/zinc/14/41/37/569144137.db2.gz ILYHKDDCFRTXHS-QHCPKHFHSA-N 0 0 407.470 4.409 50 5 HIBARN COc1cc([N+](=O)[O-])ccc1NC(=O)Nc1c(C)nn(Cc2ccccc2F)c1C ZINC000013331254 569255100 /nfs/dbraw/zinc/25/51/00/569255100.db2.gz PJNUJRWAVKHFCQ-UHFFFAOYSA-N 0 0 413.409 4.248 50 5 HIBARN COc1cc([N+](=O)[O-])ccc1NC(=O)Nc1c(C)nn(Cc2ccc(C)cc2)c1C ZINC000013331394 569255208 /nfs/dbraw/zinc/25/52/08/569255208.db2.gz VDSYVRLLPXAPEV-UHFFFAOYSA-N 0 0 409.446 4.417 50 5 HIBARN COc1ccc(CNC(=O)c2sc3nc(-c4cccc([N+](=O)[O-])c4)cn3c2C)cc1 ZINC000016992578 569270738 /nfs/dbraw/zinc/27/07/38/569270738.db2.gz PIWLNEJSKCKOMN-UHFFFAOYSA-N 0 0 422.466 4.218 50 5 HIBARN COc1cc(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)c([N+](=O)[O-])cc1OC ZINC000006027193 569270972 /nfs/dbraw/zinc/27/09/72/569270972.db2.gz JJHBCUWYVUJVSB-UHFFFAOYSA-N 0 0 401.382 4.252 50 5 HIBARN O=[N+]([O-])c1cccc([C@H]2SCCN2S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000017155312 569275834 /nfs/dbraw/zinc/27/58/34/569275834.db2.gz PDDBTMXCOQQIDI-OAHLLOKOSA-N 0 0 419.311 4.338 50 5 HIBARN C[C@H](NC(=O)COC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc2c(c1)CCCC2 ZINC000007745412 569306211 /nfs/dbraw/zinc/30/62/11/569306211.db2.gz IFXXBPBNGIOZCI-ZDUSSCGKSA-N 0 0 416.861 4.161 50 5 HIBARN O=C(Nc1nnc(COc2ccc([N+](=O)[O-])cc2)s1)c1cccc2ccccc21 ZINC000002261872 569325307 /nfs/dbraw/zinc/32/53/07/569325307.db2.gz CBGQLWGFGXXAKT-UHFFFAOYSA-N 0 0 406.423 4.431 50 5 HIBARN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nn1c(=O)c2ccccc2nc1C1CCCCC1 ZINC000027528399 569364229 /nfs/dbraw/zinc/36/42/29/569364229.db2.gz NNRROZDONJNLHH-NTCAYCPXSA-N 0 0 418.453 4.136 50 5 HIBARN COc1cc(-c2c3cnn(C)c3nc3c4ccc(O)cc4oc32)cc(OC)c1OC ZINC000253412017 569366568 /nfs/dbraw/zinc/36/65/68/569366568.db2.gz PQOSJPJTVOEGEU-UHFFFAOYSA-N 0 0 405.410 4.266 50 5 HIBARN COc1ccc(C(=O)NC(=S)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1Cl ZINC000002303392 569372055 /nfs/dbraw/zinc/37/20/55/569372055.db2.gz NJTAMMHKZBXUHQ-UHFFFAOYSA-N 0 0 400.243 4.037 50 5 HIBARN O=C([C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1)N1CCC(Cc2ccccc2)CC1 ZINC000054992062 569374524 /nfs/dbraw/zinc/37/45/24/569374524.db2.gz GOLOTJHAPIHBRK-QHCPKHFHSA-N 0 0 421.541 4.288 50 5 HIBARN O=C([C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1)N1CCC(Cc2ccccc2)CC1 ZINC000054992060 569374565 /nfs/dbraw/zinc/37/45/65/569374565.db2.gz GOLOTJHAPIHBRK-HSZRJFAPSA-N 0 0 421.541 4.288 50 5 HIBARN O=C(CSc1nnc(-c2cccc([N+](=O)[O-])c2)o1)c1ccc(Br)cc1 ZINC000009971520 569394661 /nfs/dbraw/zinc/39/46/61/569394661.db2.gz SNDHXRFEJQSXKA-UHFFFAOYSA-N 0 0 420.244 4.382 50 5 HIBARN CN(C(=O)CN1CCc2sccc2[C@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000012792538 569403446 /nfs/dbraw/zinc/40/34/46/569403446.db2.gz ICAIXDSKADCRIX-JOCHJYFZSA-N 0 0 407.495 4.267 50 5 HIBARN Cc1ccc([N+](=O)[O-])c(OCC(=O)N[C@@H](c2cccs2)c2ccc(F)cc2)c1 ZINC000012795651 569403523 /nfs/dbraw/zinc/40/35/23/569403523.db2.gz VETYWHHOQWPSPS-HXUWFJFHSA-N 0 0 400.431 4.388 50 5 HIBARN C[C@H](NC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1)c1ccccc1Cl ZINC000013137583 569409748 /nfs/dbraw/zinc/40/97/48/569409748.db2.gz ONYQTFMHAUBPCF-NSHDSACASA-N 0 0 417.878 4.019 50 5 HIBARN Cc1ccc2[nH]c3nc(S[C@@H](C)C(=O)Nc4ccc([N+](=O)[O-])cc4C)nnc3c2c1 ZINC000013389629 569413253 /nfs/dbraw/zinc/41/32/53/569413253.db2.gz CRGDAOYHUXBYIC-LBPRGKRZSA-N 0 0 422.470 4.150 50 5 HIBARN O=c1c([N+](=O)[O-])c(N2CCCC[C@H]2c2ccc(C(F)(F)F)cc2)nc2ccccn12 ZINC000079017311 569423998 /nfs/dbraw/zinc/42/39/98/569423998.db2.gz ILQKQPUJPJHKOX-HNNXBMFYSA-N 0 0 418.375 4.353 50 5 HIBARN Cc1c(C(=O)OCc2nc(=O)c3c(-c4ccccc4)csc3[nH]2)cccc1[N+](=O)[O-] ZINC000008694168 571102336 /nfs/dbraw/zinc/10/23/36/571102336.db2.gz VJKAIFNOJRFTRP-UHFFFAOYSA-N 0 0 421.434 4.225 50 5 aggregator HIBARN CC(=O)c1sc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)nc1-c1ccccc1 ZINC000008872245 571130466 /nfs/dbraw/zinc/13/04/66/571130466.db2.gz JVBFMFLJSIAWQG-UHFFFAOYSA-N 0 0 412.383 4.081 50 5 HIBARN Cn1cnnc1-c1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)c1 ZINC000040133589 571186287 /nfs/dbraw/zinc/18/62/87/571186287.db2.gz VSHCXSVPQPXLPQ-UHFFFAOYSA-N 0 0 415.409 4.435 50 5 HIBARN Cc1cc(C)n(-c2ccc(CC(=O)Nc3cc([N+](=O)[O-])ccc3OC(F)F)cc2)n1 ZINC000040134237 571187180 /nfs/dbraw/zinc/18/71/80/571187180.db2.gz MCNWVWMKMQETLK-UHFFFAOYSA-N 0 0 416.384 4.180 50 5 HIBARN Cn1c2ccccc2c(=O)c2c3nc4ccccc4n3c(-c3ccc([N+](=O)[O-])cc3)nc21 ZINC000009016167 571211426 /nfs/dbraw/zinc/21/14/26/571211426.db2.gz RVVLXQGDSHGAFN-UHFFFAOYSA-N 0 0 421.416 4.463 50 5 HIBARN COCCOCCCNc1ccc(C(=O)Nc2ccc3ccccc3c2)cc1[N+](=O)[O-] ZINC000009118584 571224518 /nfs/dbraw/zinc/22/45/18/571224518.db2.gz NFUNYHSPSXCNLX-UHFFFAOYSA-N 0 0 423.469 4.465 50 5 HIBARN CCCn1c(=O)c2c(=O)c3ccccc3n(C)c2nc1-c1cccc(Br)c1 ZINC000009128692 571227056 /nfs/dbraw/zinc/22/70/56/571227056.db2.gz DCSDQZUPVOTNTD-UHFFFAOYSA-N 0 0 424.298 4.088 50 5 HIBARN Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1ccc([N+](=O)[O-])cc1)N(Cc1ccco1)C3=O ZINC000009192078 571235774 /nfs/dbraw/zinc/23/57/74/571235774.db2.gz YLASQMQTRJWXJE-FQEVSTJZSA-N 0 0 416.389 4.348 50 5 HIBARN COc1ccc(N2C(=O)C(=Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)NC2=S)cc1 ZINC000009319535 571247980 /nfs/dbraw/zinc/24/79/80/571247980.db2.gz SDLPDPVPRQOCGL-LDADJPATSA-N 0 0 421.434 4.126 50 5 HIBARN O=C(CNc1cc([N+](=O)[O-])ccc1Nc1ccccc1)Nc1ccc2c(c1)OCCO2 ZINC000009508754 571263893 /nfs/dbraw/zinc/26/38/93/571263893.db2.gz WFTMSLDOMYZWSX-UHFFFAOYSA-N 0 0 420.425 4.160 50 5 HIBARN O=C1N[C@@]2(CCOc3ccccc32)C(=O)N1Cc1nc2ccccc2c2ccccc12 ZINC000009513322 571264567 /nfs/dbraw/zinc/26/45/67/571264567.db2.gz MHNZTAVQBCDITQ-RUZDIDTESA-N 0 0 409.445 4.118 50 5 HIBARN Cc1cc(NC(=O)COc2ncnc3c(Cl)cc(Cl)cc23)c([N+](=O)[O-])cc1C ZINC000009539616 571267433 /nfs/dbraw/zinc/26/74/33/571267433.db2.gz CUPVRYDSQUORHN-UHFFFAOYSA-N 0 0 421.240 4.479 50 5 HIBARN COc1ccccc1NC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)NC(=O)c1ccccc1 ZINC000001191461 845002389 /nfs/dbraw/zinc/00/23/89/845002389.db2.gz ONWQJKNTFMWGPD-HKWRFOASSA-N 0 0 417.421 4.013 50 5 HIBARN COc1ccc(N[C@H](NC(=O)c2ccccc2[N+](=O)[O-])C(Cl)(Cl)Cl)cc1 ZINC000001232124 845004779 /nfs/dbraw/zinc/00/47/79/845004779.db2.gz WUQSSXQQSXIMEL-OAHLLOKOSA-N 0 0 418.664 4.142 50 5 HIBARN Cn1c2ccccc2c(=O)c2c(=O)n(Cc3ccccc3)c(-c3ccc(F)cc3)nc21 ZINC000002225983 845006696 /nfs/dbraw/zinc/00/66/96/845006696.db2.gz CONOHOREPZNOJC-UHFFFAOYSA-N 0 0 411.436 4.103 50 5 HIBARN Cc1cc(C(=O)COC(=O)C=Cc2cccc([N+](=O)[O-])c2)c(C)n1CC(F)(F)F ZINC000006944297 845226613 /nfs/dbraw/zinc/22/66/13/845226613.db2.gz FUYNJUJIUKXEIS-VOTSOKGWSA-N 0 0 410.348 4.015 50 5 HIBARN O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000012789513 845889745 /nfs/dbraw/zinc/88/97/45/845889745.db2.gz GYYXOOBCUFQLEE-IOMDMTNGSA-N 0 0 414.845 4.396 50 5 HIBARN O=C(COC(=O)/C(=C\c1cccs1)c1cccs1)Nc1cccc([N+](=O)[O-])c1 ZINC000035084728 848143249 /nfs/dbraw/zinc/14/32/49/848143249.db2.gz JPTBHWWMPIMVEX-WJDWOHSUSA-N 0 0 414.464 4.440 50 5 HIBARN O=[N+]([O-])c1cc(Cl)cc2c1O/C(=C\COc1ccc(F)cc1)[C@@H]2N1CCOCC1 ZINC000035374787 848144112 /nfs/dbraw/zinc/14/41/12/848144112.db2.gz KIHQGFCXSHFASF-SRFDFFEMSA-N 0 0 420.824 4.116 50 5 HIBARN COc1ccc(Br)cc1CN(C)C(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000035681427 848144504 /nfs/dbraw/zinc/14/45/04/848144504.db2.gz LEAGQJQFKVNFNR-TWGQIWQCSA-N 0 0 405.248 4.038 50 5 HIBARN O=C(COC(=O)c1ccc([N+](=O)[O-])cc1Cl)Nc1ccc(N2CCCCC2)cc1 ZINC000003377089 132265564 /nfs/dbraw/zinc/26/55/64/132265564.db2.gz JYGOBIBSOUYKEQ-UHFFFAOYSA-N 0 0 417.849 4.034 50 5 HIBARN O=C(c1ccccc1Oc1ccccc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000004047416 132270152 /nfs/dbraw/zinc/27/01/52/132270152.db2.gz IIAQEBBGKWIPNQ-UHFFFAOYSA-N 0 0 403.438 4.350 50 5 HIBARN O=C(c1ccccc1Cl)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000004620941 132280337 /nfs/dbraw/zinc/28/03/37/132280337.db2.gz DZRDZQCIHDGZTE-UHFFFAOYSA-N 0 0 413.783 4.229 50 5 HIBARN CC(C)Nc1cc(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)ccc1[N+](=O)[O-] ZINC000004740959 132286753 /nfs/dbraw/zinc/28/67/53/132286753.db2.gz ALEMSVQNNLXPPC-UHFFFAOYSA-N 0 0 402.882 4.031 50 5 HIBARN COc1cccc(N2CCN(c3ccc(C(=O)c4ccccc4)cc3[N+](=O)[O-])CC2)c1 ZINC000008050356 132327165 /nfs/dbraw/zinc/32/71/65/132327165.db2.gz USXDEOZODZQLHI-UHFFFAOYSA-N 0 0 417.465 4.161 50 5 HIBARN Cc1cccc(N2C(=O)N(Cc3ccc([N+](=O)[O-])cc3)c3ccccc3S2(=O)=O)c1 ZINC000010272611 132345679 /nfs/dbraw/zinc/34/56/79/132345679.db2.gz QMNIYBBOYLKVSS-UHFFFAOYSA-N 0 0 423.450 4.239 50 5 HIBARN CC(C)CN(C(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)C1CCCCC1 ZINC000045511461 519704263 /nfs/dbraw/zinc/70/42/63/519704263.db2.gz LFVXFBDZBGVYCO-UHFFFAOYSA-N 0 0 403.479 4.100 50 5 HIBARN Cc1nc(NC(=O)c2ccc([N+](=O)[O-])cc2)sc1-c1nc(-c2cccs2)no1 ZINC000031816410 526994448 /nfs/dbraw/zinc/99/44/48/526994448.db2.gz NILVSVOKNNUYLE-UHFFFAOYSA-N 0 0 413.440 4.391 50 5 HIBARN O=C(CSc1nc2cc([N+](=O)[O-])ccc2[nH]1)Nc1nc2cc(Cl)ccc2s1 ZINC000045068072 527059462 /nfs/dbraw/zinc/05/94/62/527059462.db2.gz DLYZNVNVHDGGSF-UHFFFAOYSA-N 0 0 419.875 4.465 50 5 HIBARN O=[N+]([O-])c1ccc(-c2ncn(C[C@H](O)Cn3c4ccccc4c4ccccc43)n2)cc1 ZINC000032814845 527342845 /nfs/dbraw/zinc/34/28/45/527342845.db2.gz BCSCWNPTVGXZEG-SFHVURJKSA-N 0 0 413.437 4.022 50 5 HIBARN O=[N+]([O-])c1cccc(-c2noc(CSc3nnc(-c4c[nH]c5ccccc54)o3)n2)c1 ZINC000031841104 527383683 /nfs/dbraw/zinc/38/36/83/527383683.db2.gz DOTRCJUCQAGLRI-UHFFFAOYSA-N 0 0 420.410 4.468 50 5 HIBARN Cc1c(OC(=O)CNC(=O)OCc2ccccc2)ccc2c3ccccc3c(=O)oc12 ZINC000004077416 557510267 /nfs/dbraw/zinc/51/02/67/557510267.db2.gz NURQFRDYEQWIAX-UHFFFAOYSA-N 0 0 417.417 4.086 50 5 HIBARN COc1ccc2c(c1)oc1nc(-c3ccccc3)n(-c3ccc(C)cc3)c(=O)c1c2=O ZINC000002216305 557665766 /nfs/dbraw/zinc/66/57/66/557665766.db2.gz IUHPEBGDWVGTBT-UHFFFAOYSA-N 0 0 410.429 4.476 50 5 HIBARN O=C(Cn1c2ccccc2c(=O)c2cc([N+](=O)[O-])ccc21)Nc1ccccc1Cl ZINC000008683154 557799907 /nfs/dbraw/zinc/79/99/07/557799907.db2.gz GQJDTSCFZWGOQN-UHFFFAOYSA-N 0 0 407.813 4.355 50 5 aggregator HIBARN COc1ccc([C@H](C)N(C)C(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1 ZINC000024832689 558615390 /nfs/dbraw/zinc/61/53/90/558615390.db2.gz XFPLKMHQEMSPDM-KRWDZBQOSA-N 0 0 400.478 4.383 50 5 HIBARN O=c1c2ccccc2nc(/C=C/c2ccc3c(c2)OCO3)n1-c1cccc([N+](=O)[O-])c1 ZINC000004503295 558618305 /nfs/dbraw/zinc/61/83/05/558618305.db2.gz NCFUFYBSXDUVDN-PKNBQFBNSA-N 0 0 413.389 4.193 50 5 HIBARN Cc1ccc(Cl)c2sc(N3CCN(C(=O)c4ccc([N+](=O)[O-])cc4)CC3)nc21 ZINC000004583555 558773820 /nfs/dbraw/zinc/77/38/20/558773820.db2.gz HAIMIJUJUZHQSJ-UHFFFAOYSA-N 0 0 416.890 4.129 50 5 HIBARN COc1ccc(-c2csc(NC(=O)c3ccc([N+](=O)[O-])o3)n2)cc1Br ZINC000022108770 558779141 /nfs/dbraw/zinc/77/91/41/558779141.db2.gz OFZUIEQLPXBXEW-UHFFFAOYSA-N 0 0 424.232 4.335 50 5 HIBARN CCCCN1C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@H](c3cccc([N+](=O)[O-])c3)N2C1=O ZINC000022204877 558779213 /nfs/dbraw/zinc/77/92/13/558779213.db2.gz UQRIICVNLMEYOM-FPOVZHCZSA-N 0 0 418.453 4.155 50 5 HIBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(Cc2ccc(Cl)cc2)o1 ZINC000016347459 558787338 /nfs/dbraw/zinc/78/73/38/558787338.db2.gz IZTDQMODPCVVOA-UHFFFAOYSA-N 0 0 418.862 4.261 50 5 HIBARN COc1cccc(N(Cc2cccc(F)c2)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000036247338 558798575 /nfs/dbraw/zinc/79/85/75/558798575.db2.gz RCZKWYCVTBSPEW-UHFFFAOYSA-N 0 0 416.430 4.138 50 5 HIBARN Cc1ccc(CNC(=O)c2ccccc2NC(=O)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000013856302 558886846 /nfs/dbraw/zinc/88/68/46/558886846.db2.gz JTALVBOMOCHNHC-UHFFFAOYSA-N 0 0 403.438 4.394 50 5 HIBARN Cc1ccc(NC(=O)C2=C(C)NC(=O)N[C@@H]2c2ccc(Cl)c([N+](=O)[O-])c2)c(C)c1 ZINC000004680396 558891374 /nfs/dbraw/zinc/89/13/74/558891374.db2.gz ZFJTZYGTTXPAET-GOSISDBHSA-N 0 0 414.849 4.132 50 5 HIBARN COc1ccc2ccccc2c1/C=C1\N=C(c2ccc(OC)c([N+](=O)[O-])c2)OC1=O ZINC000004644334 558983266 /nfs/dbraw/zinc/98/32/66/558983266.db2.gz NEMAZVFYRMDRNJ-ATVHPVEESA-N 0 0 404.378 4.110 50 5 HIBARN CS(=O)(=O)c1ccc(Sc2ncc(-c3ccccc3)n2C2CC2)c([N+](=O)[O-])c1 ZINC000022420784 558991357 /nfs/dbraw/zinc/99/13/57/558991357.db2.gz KJDDERHZISIJRZ-UHFFFAOYSA-N 0 0 415.496 4.348 50 5 HIBARN Cc1ccc(-n2c(C)nc3ccc(NC(=O)c4ccccc4[N+](=O)[O-])cc3c2=O)cc1 ZINC000023143798 559020965 /nfs/dbraw/zinc/02/09/65/559020965.db2.gz RCKOHLFNTUFEHM-UHFFFAOYSA-N 0 0 414.421 4.163 50 5 HIBARN Cc1cccc(NC(=O)c2cc(NC(=O)c3ccc([N+](=O)[O-])cc3)ccc2Cl)n1 ZINC000004759844 559048764 /nfs/dbraw/zinc/04/87/64/559048764.db2.gz QMUSTGYHFBWTES-UHFFFAOYSA-N 0 0 410.817 4.456 50 5 HIBARN O=C(COc1ccc([N+](=O)[O-])cc1C(F)(F)F)N1CCc2[nH]c3ccccc3c2C1 ZINC000060823419 559069166 /nfs/dbraw/zinc/06/91/66/559069166.db2.gz CMXNWIFXEAQDFG-UHFFFAOYSA-N 0 0 419.359 4.059 50 5 HIBARN O=C(Cc1ccccc1)N[C@@H](Oc1cccc([N+](=O)[O-])c1)C(Cl)(Cl)Cl ZINC000004839190 559163659 /nfs/dbraw/zinc/16/36/59/559163659.db2.gz LQTBXSUYGPMRRH-HNNXBMFYSA-N 0 0 403.649 4.029 50 5 HIBARN Cc1ccc(C)c(S(=O)(=O)N(C)c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)c1 ZINC000023606391 559177755 /nfs/dbraw/zinc/17/77/55/559177755.db2.gz KOJHJOQZXBXJES-UHFFFAOYSA-N 0 0 413.455 4.224 50 5 HIBARN O=C1c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2C(=O)N1c1ccc([N+](=O)[O-])cc1 ZINC000004955125 559215326 /nfs/dbraw/zinc/21/53/26/559215326.db2.gz OPGBWPLRFLYHEE-UHFFFAOYSA-N 0 0 405.322 4.096 50 5 HIBARN CCc1nc2ccccc2c(C(=O)OCC(=O)Nc2ccc(C)cc2[N+](=O)[O-])c1C ZINC000004977814 559222252 /nfs/dbraw/zinc/22/22/52/559222252.db2.gz SUGPLOATPUXEOZ-UHFFFAOYSA-N 0 0 407.426 4.118 50 5 HIBARN Cc1ccnc(N2C(=O)c3oc4ccccc4c(=O)c3[C@@H]2c2cccc([N+](=O)[O-])c2)c1 ZINC000005164788 559277007 /nfs/dbraw/zinc/27/70/07/559277007.db2.gz GTCLBBDOQPFYGW-FQEVSTJZSA-N 0 0 413.389 4.154 50 5 HIBARN O=C1c2oc3ccccc3c(=O)c2[C@@H](c2cccc([N+](=O)[O-])c2)N1Cc1ccco1 ZINC000005164850 559277318 /nfs/dbraw/zinc/27/73/18/559277318.db2.gz QXDIVEKEXRCMAL-LJQANCHMSA-N 0 0 402.362 4.040 50 5 HIBARN CCc1c[nH]c(=O)n(-c2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)c(Cl)c2)c1=O ZINC000005297366 560561992 /nfs/dbraw/zinc/56/19/92/560561992.db2.gz YVAKMHBRAPIUHC-UHFFFAOYSA-N 0 0 422.224 4.096 50 5 HIBARN CC(C)(C)[P@](=NC(=O)c1ccc([N+](=O)[O-])cc1)(c1ccncc1)N1CCCC1 ZINC000005496469 560598070 /nfs/dbraw/zinc/59/80/70/560598070.db2.gz MAESEIWIYDJEGZ-NDEPHWFRSA-N 0 0 400.419 4.466 50 5 HIBARN Cc1cc(NC(=O)COc2ccc(C(=O)c3ccccc3)cc2)c([N+](=O)[O-])cc1C ZINC000005507998 560599239 /nfs/dbraw/zinc/59/92/39/560599239.db2.gz RVODVDAXQCYRDF-UHFFFAOYSA-N 0 0 404.422 4.460 50 5 HIBARN CCc1cc2c(s1)n1c3nc4ccccc4nc3c(C(=O)OC(C)C)c1[nH]c2=O ZINC000005695226 560786141 /nfs/dbraw/zinc/78/61/41/560786141.db2.gz NYDJNPZJTUTOPG-UHFFFAOYSA-N 0 0 406.467 4.066 50 5 HIBARN O=C1[C@@H]2CC=CC[C@H]2C(=O)N1c1ccc(NCc2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000102784719 560827423 /nfs/dbraw/zinc/82/74/23/560827423.db2.gz RJEVBPQPPCRBPG-IAGOWNOFSA-N 0 0 411.845 4.316 50 5 HIBARN O=C(CSc1nnc(-c2ccncc2)n1-c1ccccc1)c1cc([N+](=O)[O-])cs1 ZINC000012139031 560889855 /nfs/dbraw/zinc/88/98/55/560889855.db2.gz WSHZAPROBHQBDP-UHFFFAOYSA-N 0 0 423.479 4.274 50 5 HIBARN Cn1cc([C@H](CC(=O)NCc2ccncc2)c2ccc([N+](=O)[O-])cc2)c2ccccc21 ZINC000106798239 560893897 /nfs/dbraw/zinc/89/38/97/560893897.db2.gz HBCHVZSLZNANKU-OAQYLSRUSA-N 0 0 414.465 4.320 50 5 HIBARN CN(C(=O)CN1CCC[C@@H]1Cc1c(F)cccc1Cl)c1ccc([N+](=O)[O-])cc1 ZINC000048289892 568435103 /nfs/dbraw/zinc/43/51/03/568435103.db2.gz GFIMFVKFRAGYRB-MRXNPFEDSA-N 0 0 405.857 4.057 50 5 HIBARN Cc1ccc(N[C@H](NC(=O)c2ccccc2[N+](=O)[O-])C(Cl)(Cl)Cl)cc1 ZINC000000837027 568501853 /nfs/dbraw/zinc/50/18/53/568501853.db2.gz ZWBIPVNMBIHLFY-OAHLLOKOSA-N 0 0 402.665 4.441 50 5 HIBARN O=C(c1cc2c(s1)-c1ccccc1OC2)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000020355770 568600056 /nfs/dbraw/zinc/60/00/56/568600056.db2.gz FNSDYBRQYGLMKT-UHFFFAOYSA-N 0 0 421.478 4.178 50 5 HIBARN CC(=O)OCCNc1cc(SCc2ccc(Cl)cc2)c2nonc2c1[N+](=O)[O-] ZINC000020683507 568640117 /nfs/dbraw/zinc/64/01/17/568640117.db2.gz LGIYXTKXMXHDKI-UHFFFAOYSA-N 0 0 422.850 4.052 50 5 HIBARN O=c1c2ccc[nH]c-2c(Nc2ccc(Cl)c([N+](=O)[O-])c2)n1Cc1cccs1 ZINC000021105960 568666914 /nfs/dbraw/zinc/66/69/14/568666914.db2.gz BTLXYAVUPQREIQ-KRWDZBQOSA-N 0 0 400.847 4.471 50 5 HIBARN Cc1noc(/C=C/c2ccc(S(=O)(=O)Nc3ccc(C)c(C)c3)cc2)c1[N+](=O)[O-] ZINC000021112467 568668249 /nfs/dbraw/zinc/66/82/49/568668249.db2.gz AREQCOAYSJYINR-YRNVUSSQSA-N 0 0 413.455 4.479 50 5 HIBARN CCc1cccc(NS(=O)(=O)c2ccc(/C=C/c3onc(C)c3[N+](=O)[O-])cc2)c1 ZINC000021112494 568668388 /nfs/dbraw/zinc/66/83/88/568668388.db2.gz JSCOKCZHNCLYLK-FMIVXFBMSA-N 0 0 413.455 4.425 50 5 HIBARN O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000021540057 568712990 /nfs/dbraw/zinc/71/29/90/568712990.db2.gz MYECYKCCFRWTFX-UHFFFAOYSA-N 0 0 415.493 4.071 50 5 HIBARN CCOC(=O)c1nn(-c2ccc([N+](=O)[O-])cc2)/c(=N/c2cccc3ccccc32)s1 ZINC000000858984 568713386 /nfs/dbraw/zinc/71/33/86/568713386.db2.gz MFZSXKLVZZRZOK-DQRAZIAOSA-N 0 0 420.450 4.404 50 5 HIBARN CC(C)CC(=O)N(CCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)CCc1ccccc1 ZINC000096276239 568715063 /nfs/dbraw/zinc/71/50/63/568715063.db2.gz MQUGYEHXLYAEDM-UHFFFAOYSA-N 0 0 422.485 4.305 50 5 HIBARN COc1cc(NC(=O)c2ccc([N+](=O)[O-])o2)ccc1-c1cc2ccccc2oc1=O ZINC000000872500 568726397 /nfs/dbraw/zinc/72/63/97/568726397.db2.gz SXOJQMWQCSHBJQ-UHFFFAOYSA-N 0 0 406.350 4.222 50 5 HIBARN Cc1ccc(C2=NN(C(=O)CNc3cccc([N+](=O)[O-])c3)[C@H](c3ccco3)C2)cc1 ZINC000015085842 568749937 /nfs/dbraw/zinc/74/99/37/568749937.db2.gz DNBHVJZNUZDCNK-FQEVSTJZSA-N 0 0 404.426 4.286 50 5 HIBARN O=[N+]([O-])c1ccc(-n2ncc(-c3nnnn3-c3ccccc3)c2-c2ccccc2)cc1 ZINC000001038984 568764278 /nfs/dbraw/zinc/76/42/78/568764278.db2.gz UPNZWAAGDBSLFK-UHFFFAOYSA-N 0 0 409.409 4.090 50 5 HIBARN COc1ccccc1[C@@H]1[C@@H](Oc2ccccc2C)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000001076917 568765417 /nfs/dbraw/zinc/76/54/17/568765417.db2.gz OEJIPJWIPVGUBW-FGZHOGPDSA-N 0 0 404.422 4.447 50 5 HIBARN Cc1c(Cl)cccc1NC(=O)CSc1nnc(-c2ccc([N+](=O)[O-])cc2)n1C ZINC000001142267 568772324 /nfs/dbraw/zinc/77/23/24/568772324.db2.gz PZUNNYPQPUWGJG-UHFFFAOYSA-N 0 0 417.878 4.083 50 5 HIBARN O=[N+]([O-])c1cccc([C@@H]2SCCN2S(=O)(=O)c2cccc(C(F)(F)F)c2)c1 ZINC000002477818 568774094 /nfs/dbraw/zinc/77/40/94/568774094.db2.gz KVRUOLTXHWQENU-HNNXBMFYSA-N 0 0 418.418 4.050 50 5 HIBARN O=[N+]([O-])c1ccc(Sc2nnc(COc3ccccc3)n2-c2ccccc2)nc1 ZINC000001158598 568774436 /nfs/dbraw/zinc/77/44/36/568774436.db2.gz OZUBDKIROJPQGE-UHFFFAOYSA-N 0 0 405.439 4.301 50 5 HIBARN O=C(Nc1c2c(nn1-c1ccc([N+](=O)[O-])cc1)CSC2)c1cccc(Cl)c1 ZINC000002483530 568775022 /nfs/dbraw/zinc/77/50/22/568775022.db2.gz XZQUCRAXPOLOMP-UHFFFAOYSA-N 0 0 400.847 4.433 50 5 HIBARN Cc1ccc2c(c1)[C@H](c1ccc(F)cc1)N(C(=O)c1ccccc1[N+](=O)[O-])CC(=O)N2 ZINC000002686456 568800749 /nfs/dbraw/zinc/80/07/49/568800749.db2.gz BEKWAEZWMVBSIP-QFIPXVFZSA-N 0 0 419.412 4.226 50 5 HIBARN COc1ccc2oc(-c3ccc(NC(=O)COc4ccccc4[N+](=O)[O-])cc3)nc2c1 ZINC000002865928 568813554 /nfs/dbraw/zinc/81/35/54/568813554.db2.gz IVUDBRYISAMMKD-UHFFFAOYSA-N 0 0 419.393 4.429 50 5 HIBARN CCOc1ccc(C(=O)NC(=S)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1Cl ZINC000001171276 568818837 /nfs/dbraw/zinc/81/88/37/568818837.db2.gz DWOLTJFXZQAPQH-UHFFFAOYSA-N 0 0 414.270 4.427 50 5 HIBARN O=[N+]([O-])c1ccc(-c2nnc(SC[C@H](O)c3ccc(Br)cc3)o2)cc1 ZINC000025579872 568822561 /nfs/dbraw/zinc/82/25/61/568822561.db2.gz BQDCKOKCZWXMOX-AWEZNQCLSA-N 0 0 422.260 4.233 50 5 HIBARN CCOc1ccc(/C=C2\N=C(c3ccc(Cl)c([N+](=O)[O-])c3)OC2=O)cc1OC ZINC000001193122 568822812 /nfs/dbraw/zinc/82/28/12/568822812.db2.gz TWBGPVQNQSXDEN-ZSOIEALJSA-N 0 0 402.790 4.000 50 5 HIBARN Cc1cc(C(=O)Nc2ccc(I)cc2Cl)ccc1[N+](=O)[O-] ZINC000001217197 568824768 /nfs/dbraw/zinc/82/47/68/568824768.db2.gz SYDCEWPFHWJQQD-UHFFFAOYSA-N 0 0 416.602 4.414 50 5 HIBARN CC[C@@H]1CCc2c(sc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)c2C(N)=O)C1 ZINC000001217813 568824874 /nfs/dbraw/zinc/82/48/74/568824874.db2.gz SQOMLHSFWIRSKC-SECBINFHSA-N 0 0 407.879 4.176 50 5 HIBARN Cc1ccc(C)c(NC(=O)CCC(=O)OCC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000002985637 568833147 /nfs/dbraw/zinc/83/31/47/568833147.db2.gz LTDLGHZRSHWCSV-UHFFFAOYSA-N 0 0 418.833 4.010 50 5 HIBARN O=C(COC(=O)c1ccc(C(F)(F)F)cc1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000005980824 568834263 /nfs/dbraw/zinc/83/42/63/568834263.db2.gz GJHTXUVJKQDSLN-UHFFFAOYSA-N 0 0 402.712 4.063 50 5 HIBARN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCN(Cc2cccc(F)c2F)CC1 ZINC000029846724 568837647 /nfs/dbraw/zinc/83/76/47/568837647.db2.gz OFMNNMYGPOAYHK-UHFFFAOYSA-N 0 0 401.335 4.214 50 5 HIBARN COc1cc(OC)cc([C@@H](Nc2ccc([N+](=O)[O-])cc2Cl)c2nccn2C)c1 ZINC000012551366 568853697 /nfs/dbraw/zinc/85/36/97/568853697.db2.gz FTDRBDRGTUQJEU-GOSISDBHSA-N 0 0 402.838 4.200 50 5 HIBARN CC1=C(C(=O)Nc2cccc([N+](=O)[O-])c2)[C@@H](c2c(Cl)cccc2Cl)NC(=O)N1 ZINC000012619171 568872449 /nfs/dbraw/zinc/87/24/49/568872449.db2.gz QLNQVSHXNZLEAC-INIZCTEOSA-N 0 0 421.240 4.168 50 5 HIBARN O=C(Nc1ccccc1N1CCCCCC1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000058179511 568896094 /nfs/dbraw/zinc/89/60/94/568896094.db2.gz BFHUHHGJFVWNHJ-UHFFFAOYSA-N 0 0 423.517 4.329 50 5 HIBARN Cc1ccc2c(CC(=O)O[C@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)coc2c1 ZINC000003427589 568900837 /nfs/dbraw/zinc/90/08/37/568900837.db2.gz JWIYUYMPXFDHCQ-GFCCVEGCSA-N 0 0 416.817 4.416 50 5 HIBARN Cc1cc2occ(CC(=O)OCc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)c2cc1C ZINC000003431830 568901853 /nfs/dbraw/zinc/90/18/53/568901853.db2.gz ANUZKBADWAAKGB-UHFFFAOYSA-N 0 0 407.382 4.294 50 5 HIBARN Cc1cc(C(=O)COC(=O)c2ccc([N+](=O)[O-])cc2Cl)c(C)n1CC(F)(F)F ZINC000003499718 568910014 /nfs/dbraw/zinc/91/00/14/568910014.db2.gz FUCKCAPLKRZXAB-UHFFFAOYSA-N 0 0 418.755 4.269 50 5 HIBARN C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)c1cnc2c(cnn2Cc2ccccc2)c1 ZINC000025835324 568922910 /nfs/dbraw/zinc/92/29/10/568922910.db2.gz MGRINVDJGBHUJC-INIZCTEOSA-N 0 0 415.453 4.221 50 5 HIBARN O=C(Nc1cccn(Cc2ccc(Cl)c(Cl)c2)c1=O)c1ccccc1[N+](=O)[O-] ZINC000001396496 568926328 /nfs/dbraw/zinc/92/63/28/568926328.db2.gz IYXCJEDONNQWFC-UHFFFAOYSA-N 0 0 418.236 4.364 50 5 HIBARN COc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(-c2nc3ccccc3s2)o1 ZINC000012757743 568943273 /nfs/dbraw/zinc/94/32/73/568943273.db2.gz ZFIXCWRXDZXRAY-UHFFFAOYSA-N 0 0 409.423 4.403 50 5 HIBARN O=C(c1cccc(C(F)(F)F)c1)N1CCN=C1SCc1ccc([N+](=O)[O-])cc1 ZINC000004120116 568944662 /nfs/dbraw/zinc/94/46/62/568944662.db2.gz FRTMPOJSTNZBSB-UHFFFAOYSA-N 0 0 409.389 4.359 50 5 HIBARN CCOc1ccc(C(=O)Nc2c3c(nn2-c2ccc([N+](=O)[O-])cc2)CSC3)cc1 ZINC000004176031 568948658 /nfs/dbraw/zinc/94/86/58/568948658.db2.gz ARWZPECSMDYVOT-UHFFFAOYSA-N 0 0 410.455 4.178 50 5 HIBARN O=[N+]([O-])c1ccc(CS(=O)(=O)NCCC(c2ccccc2)c2ccccc2)cc1 ZINC000012775222 568954034 /nfs/dbraw/zinc/95/40/34/568954034.db2.gz GRKAEZOWVFIFIN-UHFFFAOYSA-N 0 0 410.495 4.236 50 5 HIBARN NC(=O)c1ccc(NC[C@@H](c2cccs2)c2c[nH]c3ccccc32)c([N+](=O)[O-])c1 ZINC000008050611 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HIBARN COc1ccccc1CNc1ccc(S(=O)(=O)Nc2ccccc2)cc1[N+](=O)[O-] ZINC000006553256 569065521 /nfs/dbraw/zinc/06/55/21/569065521.db2.gz GPBRMKWMUGCBQH-UHFFFAOYSA-N 0 0 413.455 4.016 50 5 HIBARN Cc1c(C(=O)N2CCC(c3nc(-c4ccc(F)cc4)no3)CC2)cccc1[N+](=O)[O-] ZINC000064818284 569102069 /nfs/dbraw/zinc/10/20/69/569102069.db2.gz HWCRIRMRMBGYMJ-UHFFFAOYSA-N 0 0 410.405 4.112 50 5 HIBARN O=C(c1ccc([N+](=O)[O-])cc1)N1CCC[C@H](OCc2cccc(C(F)(F)F)c2)C1 ZINC000036315265 569134760 /nfs/dbraw/zinc/13/47/60/569134760.db2.gz UWVRFLXBZAMRON-SFHVURJKSA-N 0 0 408.376 4.435 50 5 HIBARN O=C(COc1ccc(Cl)cc1Br)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000006835371 569148953 /nfs/dbraw/zinc/14/89/53/569148953.db2.gz DACIJBFLBJQFQT-UHFFFAOYSA-N 0 0 403.591 4.167 50 5 HIBARN C[C@@H](NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)c1cccc(C(F)(F)F)c1 ZINC000036393831 569168363 /nfs/dbraw/zinc/16/83/63/569168363.db2.gz RSOHYVWXWVCZND-GFCCVEGCSA-N 0 0 404.348 4.290 50 5 HIBARN CN(C)c1ccc(C(=O)c2ccccc2C(=O)N2CCCCCCC2)cc1[N+](=O)[O-] ZINC000065476101 569231523 /nfs/dbraw/zinc/23/15/23/569231523.db2.gz VQFPVSNGPKOMDM-UHFFFAOYSA-N 0 0 409.486 4.298 50 5 HIBARN O=C(Cn1cccc([N+](=O)[O-])c1=O)Nc1c(Cl)c(Cl)cc(Cl)c1Cl ZINC000065623653 569239115 /nfs/dbraw/zinc/23/91/15/569239115.db2.gz TWCJDBKPAHNBDB-UHFFFAOYSA-N 0 0 411.028 4.009 50 5 HIBARN CC(C)(C)OC(=O)NC[C@H](NC(=O)c1c(Cl)cccc1[N+](=O)[O-])C1CCCC1 ZINC000170614906 569247146 /nfs/dbraw/zinc/24/71/46/569247146.db2.gz WENGSDUHCMXYBR-AWEZNQCLSA-N 0 0 411.886 4.062 50 5 HIBARN CC(C)(C)OC(=O)NC[C@@H](NC(=O)c1c(Cl)cccc1[N+](=O)[O-])C1CCCC1 ZINC000170614907 569247168 /nfs/dbraw/zinc/24/71/68/569247168.db2.gz WENGSDUHCMXYBR-CQSZACIVSA-N 0 0 411.886 4.062 50 5 HIBARN Cc1ccc(-c2noc([C@H](C)OC(=O)c3cc([N+](=O)[O-])cc(C)c3F)n2)cc1F ZINC000170616551 569247444 /nfs/dbraw/zinc/24/74/44/569247444.db2.gz NGWJYNJFKONPHS-NSHDSACASA-N 0 0 403.341 4.458 50 5 HIBARN O=C(NC1CCN(c2ccc([N+](=O)[O-])cc2Br)CC1)C1CCCCC1 ZINC000089773105 569263648 /nfs/dbraw/zinc/26/36/48/569263648.db2.gz 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O=c1c(=Cc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)sc2nc3ccccc3n12 ZINC000252666277 569319076 /nfs/dbraw/zinc/31/90/76/569319076.db2.gz AZARPWMMUILAMF-UHFFFAOYSA-N 0 0 423.837 4.279 50 5 HIBARN NC(=O)c1cc2cc([N+](=O)[O-])ccc2oc1=Nc1ccc(Oc2ccccc2)cc1 ZINC000252676252 569319623 /nfs/dbraw/zinc/31/96/23/569319623.db2.gz WMVAESSTHKOMIB-UHFFFAOYSA-N 0 0 401.378 4.465 50 5 HIBARN O=[N+]([O-])c1cc(-c2nc3nc4ccccc4nc3n2-c2ccccc2)cc([N+](=O)[O-])c1 ZINC000002253795 569326088 /nfs/dbraw/zinc/32/60/88/569326088.db2.gz RGEPUIYAHRIGOU-UHFFFAOYSA-N 0 0 412.365 4.452 50 5 HIBARN Cc1cc2nc3c(nc2cc1N)n(C1CCCCC1)c(=O)n(C1CCCCC1)c3=O ZINC000002276692 569327872 /nfs/dbraw/zinc/32/78/72/569327872.db2.gz KMEZOJPNMHTLGN-UHFFFAOYSA-N 0 0 407.518 4.007 50 5 HIBARN CCOC(=O)c1cc(C(=O)c2ccccc2[N+](=O)[O-])n2cnc3cc(Cl)ccc3c12 ZINC000019891544 569357434 /nfs/dbraw/zinc/35/74/34/569357434.db2.gz QJDNJWQLLQBQOS-UHFFFAOYSA-N 0 0 423.812 4.457 50 5 HIBARN COc1ccc2cc(Br)ccc2c1CC(=O)Nc1ncc([N+](=O)[O-])s1 ZINC000009348921 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O=C(CNc1cc([N+](=O)[O-])ccc1Nc1ccc(F)cc1)Nc1ccc2c(c1)OCO2 ZINC000009221265 571238253 /nfs/dbraw/zinc/23/82/53/571238253.db2.gz HFKSLEXOTAOTRQ-UHFFFAOYSA-N 0 0 424.388 4.257 50 5 HIBARN Cc1nc2ccccc2c(SCC(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)n1 ZINC000009227600 571239281 /nfs/dbraw/zinc/23/92/81/571239281.db2.gz GIQDPLGVBYQDHL-UHFFFAOYSA-N 0 0 411.468 4.187 50 5 HIBARN Cc1c(C(=O)Nc2ccccc2-c2nc3ccccc3[nH]c2=O)cccc1[N+](=O)[O-] ZINC000009260579 571243735 /nfs/dbraw/zinc/24/37/35/571243735.db2.gz JPGQHYMBFGWPEB-UHFFFAOYSA-N 0 0 400.394 4.059 50 5 HIBARN CC(C)(C)N(Cc1ccccc1)C(=O)COC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000009352252 571250565 /nfs/dbraw/zinc/25/05/65/571250565.db2.gz ZKOFAZBRJRCBEU-UHFFFAOYSA-N 0 0 416.499 4.057 50 5 HIBARN O=C(Cn1c2ccccc2c(=O)c2ccccc21)N(C[C@H]1CCOC1)c1ccccc1 ZINC000069977617 571252408 /nfs/dbraw/zinc/25/24/08/571252408.db2.gz PWRAKWGVUNFHCL-LJQANCHMSA-N 0 0 412.489 4.224 50 5 HIBARN COc1cc(C(=O)NCc2ccc(-c3csc(C)n3)s2)c([N+](=O)[O-])cc1OC ZINC000010105276 571295076 /nfs/dbraw/zinc/29/50/76/571295076.db2.gz BIFAKXVXYUPYBD-UHFFFAOYSA-N 0 0 419.484 4.035 50 5 HIBARN COC(=O)c1cc(C(=O)N[C@@H](c2cccs2)c2ccc(F)cc2)cc([N+](=O)[O-])c1 ZINC000010290920 571299406 /nfs/dbraw/zinc/29/94/06/571299406.db2.gz NRTPVEOBKXOVLK-GOSISDBHSA-N 0 0 414.414 4.101 50 5 HIBARN CC(=O)Cc1nsc(NC(=O)c2cc(-c3ccc(Cl)cc3[N+](=O)[O-])oc2C)n1 ZINC000010435016 571302792 /nfs/dbraw/zinc/30/27/92/571302792.db2.gz XAIBBPOYIKDWEK-UHFFFAOYSA-N 0 0 420.834 4.052 50 5 HIBARN O=C(/C=C\c1ccccc1[N+](=O)[O-])OCC(=O)Nc1ccccc1-c1ccccc1 ZINC000033730677 848139217 /nfs/dbraw/zinc/13/92/17/848139217.db2.gz NLVWHUSPXNUPEL-PFONDFGASA-N 0 0 402.406 4.457 50 5 HIBARN O=[N+]([O-])c1ccc(S(=O)(=O)N2c3ccccc3Oc3nc4ccccc4nc32)cc1 ZINC000000712151 132231443 /nfs/dbraw/zinc/23/14/43/132231443.db2.gz MQEHZAVJQUIWCH-UHFFFAOYSA-N 0 0 420.406 4.171 50 5 HIBARN O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000001151423 132239301 /nfs/dbraw/zinc/23/93/01/132239301.db2.gz VAGBRHPGQDFTDH-UHFFFAOYSA-N 0 0 413.783 4.229 50 5 HIBARN Cc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)cc1[N+](=O)[O-] ZINC000001315721 132243882 /nfs/dbraw/zinc/24/38/82/132243882.db2.gz FQXTXIKGANBHCJ-UHFFFAOYSA-N 0 0 409.364 4.011 50 5 HIBARN Cc1cc(C)cc(C(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)c1 ZINC000005041361 132299218 /nfs/dbraw/zinc/29/92/18/132299218.db2.gz QIDBIEWHLPRPTB-UHFFFAOYSA-N 0 0 407.392 4.193 50 5 HIBARN Cc1nn(CC(=O)N2c3ccccc3SC[C@H]2c2ccccc2)c(C)c1[N+](=O)[O-] ZINC000007088810 132322498 /nfs/dbraw/zinc/32/24/98/132322498.db2.gz ADYSXQIPGNNBGY-SFHVURJKSA-N 0 0 408.483 4.288 50 5 HIBARN Cc1cc(C(=O)O[C@@H](C)C(=O)Nc2ccc(N3CCCCC3)cc2)ccc1[N+](=O)[O-] ZINC000007532243 132324888 /nfs/dbraw/zinc/32/48/88/132324888.db2.gz DAXXZCQBGQUVTH-INIZCTEOSA-N 0 0 411.458 4.078 50 5 HIBARN O=C(c1cccs1)N1CCN(c2ccc([N+](=O)[O-])c(NCc3ccccc3)c2)CC1 ZINC000009601740 132341454 /nfs/dbraw/zinc/34/14/54/132341454.db2.gz AMARPOWRMXZVRJ-UHFFFAOYSA-N 0 0 422.510 4.231 50 5 HIBARN O=C(Nc1ccccc1Br)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000012512625 132361203 /nfs/dbraw/zinc/36/12/03/132361203.db2.gz UBMYIKYFKWSODK-UHFFFAOYSA-N 0 0 404.264 4.212 50 5 HIBARN Cc1cccc(N(Cc2ccccc2)C(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)c1 ZINC000032676063 524527154 /nfs/dbraw/zinc/52/71/54/524527154.db2.gz OXYCCPPTYRHSFI-UHFFFAOYSA-N 0 0 424.478 4.154 50 5 HIBARN O=C(COC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)Nc1ccccc1OC(F)F ZINC000032889304 526912250 /nfs/dbraw/zinc/91/22/50/526912250.db2.gz NTDGFGMWLFHYPN-UHFFFAOYSA-N 0 0 422.365 4.206 50 5 HIBARN O=C1OC(c2ccc(Cl)c([N+](=O)[O-])c2)=N/C1=C\c1csc(-c2ccccn2)n1 ZINC000044252594 527093631 /nfs/dbraw/zinc/09/36/31/527093631.db2.gz QTMBZVWBORAAMK-ZSOIEALJSA-N 0 0 412.814 4.111 50 5 HIBARN Cn1nc(C(=O)NCc2cccc(C(F)(F)F)c2)cc1Oc1ccccc1[N+](=O)[O-] ZINC000106772153 527546529 /nfs/dbraw/zinc/54/65/29/527546529.db2.gz WAZOZXXCNPDEIJ-UHFFFAOYSA-N 0 0 420.347 4.069 50 5 HIBARN O=c1c2cc(NS(=O)(=O)c3ccc(Cl)c(Cl)c3)ccc2oc2ncccc12 ZINC000001042514 557154346 /nfs/dbraw/zinc/15/43/46/557154346.db2.gz LOWWSCMNJNQWCJ-UHFFFAOYSA-N 0 0 421.261 4.449 50 5 HIBARN O=C(Nc1nc(-c2ccc3c(c2)OCO3)cs1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000022924581 558262072 /nfs/dbraw/zinc/26/20/72/558262072.db2.gz UDHVFSRLNYAKAT-UHFFFAOYSA-N 0 0 424.438 4.274 50 5 HIBARN CCn1c(S[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)nnc1C1CCCCC1 ZINC000004349199 558424494 /nfs/dbraw/zinc/42/44/94/558424494.db2.gz COJGVVNCUDFCKV-CYBMUJFWSA-N 0 0 403.508 4.373 50 5 HIBARN CCOc1ccc(NC(=O)CSc2ccc(-c3cccc([N+](=O)[O-])c3)nn2)cc1 ZINC000004355835 558443231 /nfs/dbraw/zinc/44/32/31/558443231.db2.gz GOZJSRTZVGKOOR-UHFFFAOYSA-N 0 0 410.455 4.181 50 5 HIBARN O=C(NCCCNc1ccc([N+](=O)[O-])cc1Cl)c1cc(F)c(F)cc1Cl ZINC000004405430 558494319 /nfs/dbraw/zinc/49/43/19/558494319.db2.gz SMKNADWPMOCURO-UHFFFAOYSA-N 0 0 404.200 4.412 50 5 HIBARN CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)c1nn(-c2ccccc2)c2c1CCC2 ZINC000010904536 558550772 /nfs/dbraw/zinc/55/07/72/558550772.db2.gz KREFVJPGIQYILX-UHFFFAOYSA-N 0 0 410.861 4.195 50 5 HIBARN O=C(COc1ccc([N+](=O)[O-])cc1)Oc1ccc2ccccc2c1Br ZINC000004543781 558662036 /nfs/dbraw/zinc/66/20/36/558662036.db2.gz GTZFFDXLWJNGRN-UHFFFAOYSA-N 0 0 402.200 4.495 50 5 HIBARN O=C(Cn1c2ccccc2c(=O)c2cc([N+](=O)[O-])ccc21)Nc1cccc(Cl)c1 ZINC000027533682 558674354 /nfs/dbraw/zinc/67/43/54/558674354.db2.gz NUDLJUOZSQKXBY-UHFFFAOYSA-N 0 0 407.813 4.355 50 5 HIBARN Cc1ccc(C(=O)Nc2ccc(-n3c(C)nc4ccccc4c3=O)cc2)cc1[N+](=O)[O-] ZINC000004585416 558776127 /nfs/dbraw/zinc/77/61/27/558776127.db2.gz BJXKJERDIGGXCR-UHFFFAOYSA-N 0 0 414.421 4.163 50 5 HIBARN Cc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)C2c4ccccc4C3c3ccccc32)cc1[N+](=O)[O-] ZINC000013562614 558843668 /nfs/dbraw/zinc/84/36/68/558843668.db2.gz DEBHJEWSPXAVOJ-MYNGYRLFSA-N 0 0 410.429 4.300 50 5 HIBARN O=C(/C=C/c1ccc(Cl)cc1)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000022145796 558862776 /nfs/dbraw/zinc/86/27/76/558862776.db2.gz PDNJGRZBRQBHPJ-FPYGCLRLSA-N 0 0 406.269 4.264 50 5 HIBARN CCOC(=O)C[C@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1Cl ZINC000004653387 558868822 /nfs/dbraw/zinc/86/88/22/558868822.db2.gz YWIYQROTISMJIR-HNNXBMFYSA-N 0 0 411.241 4.326 50 5 HIBARN Cc1cc(C(=O)N2CCC[C@@H]2C(=O)Nc2ccc(Cl)cc2Cl)ccc1[N+](=O)[O-] ZINC000033094180 558872436 /nfs/dbraw/zinc/87/24/36/558872436.db2.gz PMMILZWHEKSNDD-QGZVFWFLSA-N 0 0 422.268 4.453 50 5 HIBARN O=C(CCc1ccccc1)n1nc(-c2ccco2)nc1NCc1cccc([N+](=O)[O-])c1 ZINC000013844108 558886091 /nfs/dbraw/zinc/88/60/91/558886091.db2.gz GYFXEQUQDQAUBS-UHFFFAOYSA-N 0 0 417.425 4.331 50 5 HIBARN O=C1NC(=S)SC1=Cc1cccc(OCCOc2ccc([N+](=O)[O-])cc2)c1 ZINC000013940203 558985003 /nfs/dbraw/zinc/98/50/03/558985003.db2.gz VGSVUILZNLSRSD-WJDWOHSUSA-N 0 0 402.453 4.382 50 5 HIBARN CCN(CC)C(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000004787128 559064077 /nfs/dbraw/zinc/06/40/77/559064077.db2.gz KAHZEULXTALMCV-HXUWFJFHSA-N 0 0 405.458 4.102 50 5 HIBARN Cc1ccc(NC(=O)/C(=C\c2cccc([N+](=O)[O-])c2)NC(=O)c2cccs2)cc1 ZINC000004827826 559155390 /nfs/dbraw/zinc/15/53/90/559155390.db2.gz ALRFYNNXRDWKFF-QGOAFFKASA-N 0 0 407.451 4.374 50 5 HIBARN O=C(Nc1ccc([N+](=O)[O-])cc1)/C(=C/c1ccc(F)cc1)NC(=O)c1ccccc1 ZINC000004837631 559166657 /nfs/dbraw/zinc/16/66/57/559166657.db2.gz BDEVPPWNUIGZHY-ZHZULCJRSA-N 0 0 405.385 4.144 50 5 HIBARN O=C(Nc1nc2ccc(Br)cc2s1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000014623110 559171389 /nfs/dbraw/zinc/17/13/89/559171389.db2.gz ZWXAIOSMWVJCPE-UHFFFAOYSA-N 0 0 423.204 4.128 50 5 HIBARN O=C(/C=C\c1ccc(Cl)c(Cl)c1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000033448969 559193478 /nfs/dbraw/zinc/19/34/78/559193478.db2.gz NOAQACYFIXPMAS-WAPJZHGLSA-N 0 0 406.269 4.264 50 5 HIBARN Nc1c2cc(-c3ccccc3N)cnc2sc1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000005023962 559229892 /nfs/dbraw/zinc/22/98/92/559229892.db2.gz URGNPYLQDDFQOC-UHFFFAOYSA-N 0 0 405.439 4.288 50 5 HIBARN O=C(Nc1ncn(Cc2ccc(Cl)c(Cl)c2)n1)Nc1ccc([N+](=O)[O-])cc1 ZINC000005041515 559235392 /nfs/dbraw/zinc/23/53/92/559235392.db2.gz 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COc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)ccc1N1CCCCC1=O ZINC000005441475 560587662 /nfs/dbraw/zinc/58/76/62/560587662.db2.gz ZZWRRDCEGHFQBP-UHFFFAOYSA-N 0 0 403.822 4.026 50 5 HIBARN O=C(/C=C/c1ccccc1[N+](=O)[O-])OCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000003229689 560589945 /nfs/dbraw/zinc/58/99/45/560589945.db2.gz KLRIEMSZOXZIQO-FOCLMDBBSA-N 0 0 416.433 4.057 50 5 HIBARN C/C(=C(\NC(=O)c1ccccc1)C(=O)NC1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000103747620 560844186 /nfs/dbraw/zinc/84/41/86/560844186.db2.gz NFEKPJWOXQDMND-LTGZKZEYSA-N 0 0 407.470 4.205 50 5 HIBARN CCn1c2ccc(Br)cc2s/c1=N/C(=O)c1ccc([N+](=O)[O-])s1 ZINC000012180844 560890930 /nfs/dbraw/zinc/89/09/30/560890930.db2.gz YUSCEMNHBRZLCJ-JQIJEIRASA-N 0 0 412.290 4.196 50 5 HIBARN Cc1nc(C)c([C@@H](C)NC(=O)c2ccc(N3CCC[C@@H](C)C3)c([N+](=O)[O-])c2)s1 ZINC000106571321 560892486 /nfs/dbraw/zinc/89/24/86/560892486.db2.gz ZMTMSIFVXABXNW-TZMCWYRMSA-N 0 0 402.520 4.395 50 5 HIBARN O=C(CCc1cccc(Cl)c1Cl)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000048356659 568441242 /nfs/dbraw/zinc/44/12/42/568441242.db2.gz ZYNDWKFCEZWNHH-UHFFFAOYSA-N 0 0 408.285 4.183 50 5 HIBARN O=C(Nc1cc(C(F)(F)F)ccc1F)c1cccc(Cn2cc([N+](=O)[O-])cn2)c1 ZINC000000653457 568457806 /nfs/dbraw/zinc/45/78/06/568457806.db2.gz CFRJYUYHUSEIKL-UHFFFAOYSA-N 0 0 408.311 4.250 50 5 HIBARN COC(=O)c1c(NC(=O)COc2ccccc2[N+](=O)[O-])sc2c1CCCCCC2 ZINC000000668755 568460178 /nfs/dbraw/zinc/46/01/78/568460178.db2.gz MQUARAONRFRIFW-UHFFFAOYSA-N 0 0 418.471 4.119 50 5 HIBARN COC(=O)c1ccc(C)c(NC(=O)c2ccc(COc3ccc(C)cc3[N+](=O)[O-])o2)c1 ZINC000000676364 568460652 /nfs/dbraw/zinc/46/06/52/568460652.db2.gz XZWZUNPAFIDICX-UHFFFAOYSA-N 0 0 424.409 4.423 50 5 HIBARN Cc1cc(C)n2nc(Sc3ccc(C(=O)c4ccccc4)cc3[N+](=O)[O-])nc2n1 ZINC000022834429 568499941 /nfs/dbraw/zinc/49/99/41/568499941.db2.gz NKIAVEAHOVYXRQ-UHFFFAOYSA-N 0 0 405.439 4.032 50 5 HIBARN COCCCNc1c2cccc3c2c(cc1[N+](=O)[O-])C(=O)N(c1cccc(C)c1)C3=O ZINC000095470813 568626385 /nfs/dbraw/zinc/62/63/85/568626385.db2.gz FKVUPFBCMZVDRQ-UHFFFAOYSA-N 0 0 419.437 4.305 50 5 HIBARN O=C1[C@@H]2CCCC[C@@H]2C(=O)N1c1ccc(N2CCC[C@@H]3CCCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000020738493 568641200 /nfs/dbraw/zinc/64/12/00/568641200.db2.gz ZNEMNLWIYRCNIS-KANFNMMFSA-N 0 0 411.502 4.433 50 5 HIBARN Cc1noc(/C=C/c2ccc(S(=O)(=O)Nc3cc(C)cc(C)c3)cc2)c1[N+](=O)[O-] ZINC000021112474 568668153 /nfs/dbraw/zinc/66/81/53/568668153.db2.gz PFOJVEODMILRMX-RMKNXTFCSA-N 0 0 413.455 4.479 50 5 HIBARN Cc1noc(/C=C/c2ccc(C)c(S(=O)(=O)Nc3ccc(C)cc3)c2)c1[N+](=O)[O-] ZINC000021112522 568668195 /nfs/dbraw/zinc/66/81/95/568668195.db2.gz HBTBAAJJSLYFFS-DHZHZOJOSA-N 0 0 413.455 4.479 50 5 HIBARN O=[N+]([O-])c1cc([C@@H]2SCCN2S(=O)(=O)c2ccc(Cl)cc2)ccc1Cl ZINC000000855149 568711615 /nfs/dbraw/zinc/71/16/15/568711615.db2.gz XBMMIYHTKUCYNH-HNNXBMFYSA-N 0 0 419.311 4.338 50 5 HIBARN CCOC(=O)c1sc2c(c1NC(=O)/C=C/c1cccc([N+](=O)[O-])c1)CCCC2 ZINC000000861621 568713518 /nfs/dbraw/zinc/71/35/18/568713518.db2.gz PRWDNDCBQDNYPH-ZHACJKMWSA-N 0 0 400.456 4.364 50 5 HIBARN CCc1cccc2c([C@@H](CC(=O)N3CCOCC3)c3ccc([N+](=O)[O-])cc3)c[nH]c21 ZINC000096275697 568714535 /nfs/dbraw/zinc/71/45/35/568714535.db2.gz GKHVJGVFNSOADI-FQEVSTJZSA-N 0 0 407.470 4.019 50 5 HIBARN O=c1c(SCc2ccc([N+](=O)[O-])cc2)nccn1-c1ccc(Br)cc1 ZINC000012415569 568717727 /nfs/dbraw/zinc/71/77/27/568717727.db2.gz CXOHGLNUNWKTNS-UHFFFAOYSA-N 0 0 418.272 4.196 50 5 HIBARN CCCCN(CCc1nc(-c2ccc(F)cc2)no1)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000096292204 568720892 /nfs/dbraw/zinc/72/08/92/568720892.db2.gz BRSVWOKDJJENFL-UHFFFAOYSA-N 0 0 412.421 4.269 50 5 HIBARN Cc1ccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2C)cc1[N+](=O)[O-] ZINC000000869897 568725843 /nfs/dbraw/zinc/72/58/43/568725843.db2.gz UNVBLFCGKVOMJC-UHFFFAOYSA-N 0 0 417.878 4.083 50 5 HIBARN O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)F)ccc1Sc1nc2ccccc2o1 ZINC000000947289 568754685 /nfs/dbraw/zinc/75/46/85/568754685.db2.gz FLEDUORAXXTKRM-UHFFFAOYSA-N 0 0 404.347 4.181 50 5 HIBARN CCC[C@H]1CCc2c(sc(NC(=O)c3ccc([N+](=O)[O-])c(C)c3)c2C(N)=O)C1 ZINC000000996229 568759808 /nfs/dbraw/zinc/75/98/08/568759808.db2.gz ZBTWZDBHAUKTIF-LBPRGKRZSA-N 0 0 401.488 4.221 50 5 HIBARN O=C(Nc1ccccc1C(=O)NCCc1ccc(Cl)cc1)c1ccc([N+](=O)[O-])o1 ZINC000001042567 568764470 /nfs/dbraw/zinc/76/44/70/568764470.db2.gz HTSZRDMSIYPEMI-UHFFFAOYSA-N 0 0 413.817 4.066 50 5 HIBARN CC(C)(C)c1ccc(OCc2nnc3n2N=C(c2cccc([N+](=O)[O-])c2)CS3)cc1 ZINC000001050059 568764614 /nfs/dbraw/zinc/76/46/14/568764614.db2.gz PISKMFHQKAUFSR-UHFFFAOYSA-N 0 0 423.498 4.421 50 5 HIBARN COc1ccccc1[C@@H]1[C@H](Oc2ccccc2C)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000001076914 568765373 /nfs/dbraw/zinc/76/53/73/568765373.db2.gz OEJIPJWIPVGUBW-YADHBBJMSA-N 0 0 404.422 4.447 50 5 HIBARN O=C(Nc1ccccc1[N+](=O)[O-])C1CCN(c2ccc(-c3ccc(F)cc3)nn2)CC1 ZINC000022492580 568768833 /nfs/dbraw/zinc/76/88/33/568768833.db2.gz YDYSVEXGGAMRAT-UHFFFAOYSA-N 0 0 421.432 4.046 50 5 HIBARN C[C@@H](OC(=O)c1ccccc1S(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000001115591 568770781 /nfs/dbraw/zinc/77/07/81/568770781.db2.gz GTIYHXXUZPUWOD-OAHLLOKOSA-N 0 0 411.435 4.346 50 5 HIBARN CC(C)OC(=O)c1c(NC(=O)COc2ccc([N+](=O)[O-])cc2)sc2c1CCCC2 ZINC000001102499 568771729 /nfs/dbraw/zinc/77/17/29/568771729.db2.gz VQLRSAHTBADREY-UHFFFAOYSA-N 0 0 418.471 4.118 50 5 HIBARN COc1ccc([N+](=O)[O-])cc1NC(=O)C1(c2ccc(OC)c(OC)c2)CCCC1 ZINC000001134683 568773326 /nfs/dbraw/zinc/77/33/26/568773326.db2.gz JNASYXHMORNUEI-UHFFFAOYSA-N 0 0 400.431 4.071 50 5 HIBARN Cc1ccc2c(c1)C(=O)C(=O)N2CCn1c2ccccc2c2nc3ccccc3nc21 ZINC000002503440 568777531 /nfs/dbraw/zinc/77/75/31/568777531.db2.gz QNCNHADROPWQGN-UHFFFAOYSA-N 0 0 406.445 4.276 50 5 HIBARN CC(C)(C)c1ccc(C(=O)CCC(=O)OCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000002633484 568791264 /nfs/dbraw/zinc/79/12/64/568791264.db2.gz WDUOOMNGLDSFMT-UHFFFAOYSA-N 0 0 412.442 4.037 50 5 HIBARN Cc1ccc(NC(=O)CSc2nnc(NC3CCCCC3)s2)cc1[N+](=O)[O-] ZINC000002647481 568795509 /nfs/dbraw/zinc/79/55/09/568795509.db2.gz WZBKGHUOMKPGTJ-UHFFFAOYSA-N 0 0 407.521 4.230 50 5 HIBARN Cc1ccc([C@]2(C)NC(=O)N(Cc3cc(=O)oc4ccc5ccccc5c34)C2=O)cc1 ZINC000002663549 568799738 /nfs/dbraw/zinc/79/97/38/568799738.db2.gz POMPOTLMSJFSCZ-VWLOTQADSA-N 0 0 412.445 4.222 50 5 HIBARN O=C(CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1cccc(C(F)(F)F)c1 ZINC000002685252 568800643 /nfs/dbraw/zinc/80/06/43/568800643.db2.gz CYLAOWRNNSCSMB-UHFFFAOYSA-N 0 0 401.322 4.253 50 5 HIBARN Cc1ccc2c(c1)[C@H](c1ccc(F)cc1)N(C(=O)c1ccc([N+](=O)[O-])cc1)CC(=O)N2 ZINC000002724198 568802830 /nfs/dbraw/zinc/80/28/30/568802830.db2.gz UJUVHUIDLPZING-QFIPXVFZSA-N 0 0 419.412 4.226 50 5 HIBARN Cc1ccc(OCc2ccc(C(=O)NCc3cc4ccccc4[nH]3)o2)c([N+](=O)[O-])c1 ZINC000002749464 568805990 /nfs/dbraw/zinc/80/59/90/568805990.db2.gz BJGHYXCOMLQFEQ-UHFFFAOYSA-N 0 0 405.410 4.487 50 5 HIBARN COc1ccc(C(=O)Nc2ccc(NC(=O)c3ccco3)c(Cl)c2)cc1[N+](=O)[O-] ZINC000002744632 568806321 /nfs/dbraw/zinc/80/63/21/568806321.db2.gz NBDWKIFPPPFYDW-UHFFFAOYSA-N 0 0 415.789 4.354 50 5 HIBARN O=C(Nc1ccccc1OC(F)F)c1ccc(Cn2cc(Cl)c([N+](=O)[O-])n2)cc1 ZINC000002809382 568810998 /nfs/dbraw/zinc/81/09/98/568810998.db2.gz QJMILRWQTMIXRR-UHFFFAOYSA-N 0 0 422.775 4.347 50 5 HIBARN CCn1c(SCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)nnc1-c1ccc(C)cc1 ZINC000002830495 568812503 /nfs/dbraw/zinc/81/25/03/568812503.db2.gz FEUXFQNCFGPSDJ-UHFFFAOYSA-N 0 0 411.487 4.221 50 5 HIBARN CC(=O)n1c(/C=C2/N=C(c3ccc([N+](=O)[O-])cc3Cl)OC2=O)cc2ccccc21 ZINC000002945646 568819741 /nfs/dbraw/zinc/81/97/41/568819741.db2.gz HLQJASCNNSPQKL-LICLKQGHSA-N 0 0 409.785 4.208 50 5 HIBARN CCOc1ccc(C(=O)Nc2cccc(NC(=O)c3ccccc3)c2)cc1[N+](=O)[O-] ZINC000001208641 568823576 /nfs/dbraw/zinc/82/35/76/568823576.db2.gz JPYJQJINSQQKAT-UHFFFAOYSA-N 0 0 405.410 4.498 50 5 HIBARN CCN1CCN(C(=O)c2ccc(Sc3ccccc3Cl)c([N+](=O)[O-])c2)CC1 ZINC000003020207 568838943 /nfs/dbraw/zinc/83/89/43/568838943.db2.gz XCKGDPPHGJWQQK-UHFFFAOYSA-N 0 0 405.907 4.177 50 5 HIBARN O=C(OCc1ccccc1)c1cc([N+](=O)[O-])cc2c1-c1ccc([N+](=O)[O-])cc1C2=O ZINC000003138276 568857495 /nfs/dbraw/zinc/85/74/95/568857495.db2.gz OCRGZXFSDZIUFS-UHFFFAOYSA-N 0 0 404.334 4.071 50 5 HIBARN CCc1nc2ccccc2c(C(=O)O[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)c1C ZINC000003229201 568864686 /nfs/dbraw/zinc/86/46/86/568864686.db2.gz SXNQAEJSSSMEDT-AWEZNQCLSA-N 0 0 407.426 4.198 50 5 HIBARN Cc1ccc(Nc2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3F)s2)cc1 ZINC000003237734 568865797 /nfs/dbraw/zinc/86/57/97/568865797.db2.gz HUZAQAFNWYHPJJ-UHFFFAOYSA-N 0 0 419.463 4.368 50 5 HIBARN O=C(COC(=O)Cc1ccc(Cl)cc1Cl)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000003271386 568870458 /nfs/dbraw/zinc/87/04/58/568870458.db2.gz VVNQNQDNYGHWHQ-UHFFFAOYSA-N 0 0 417.632 4.279 50 5 HIBARN O=C(COC(=O)c1cc([N+](=O)[O-])ccc1Cl)NC(c1ccccc1)c1ccccc1 ZINC000012621225 568877358 /nfs/dbraw/zinc/87/73/58/568877358.db2.gz JJEHOWJNYPWPKI-UHFFFAOYSA-N 0 0 424.840 4.311 50 5 HIBARN COc1cc([N+](=O)[O-])cc2sc(NC(=O)c3ccccc3Br)nc21 ZINC000004070154 568881872 /nfs/dbraw/zinc/88/18/72/568881872.db2.gz 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O=C(CSc1ccc2nc(-c3ccccc3)cn2n1)Nc1cccc([N+](=O)[O-])c1 ZINC000004251237 568955164 /nfs/dbraw/zinc/95/51/64/568955164.db2.gz AAOQCICIAHBVNT-UHFFFAOYSA-N 0 0 405.439 4.035 50 5 HIBARN COc1ccccc1CNC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000015739463 568987221 /nfs/dbraw/zinc/98/72/21/568987221.db2.gz YOCKYIGTTVGZBO-UHFFFAOYSA-N 0 0 400.378 4.031 50 5 HIBARN Cc1cc(C)cc(NC(=O)C2=C(C)NC(=O)N[C@H]2c2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000008335637 568993161 /nfs/dbraw/zinc/99/31/61/568993161.db2.gz WFKUUPKBVRTSEO-SFHVURJKSA-N 0 0 414.849 4.132 50 5 HIBARN O=C1S/C(=C/c2ccc(Br)o2)C(=O)N1Cc1cccc([N+](=O)[O-])c1 ZINC000008384124 568996218 /nfs/dbraw/zinc/99/62/18/568996218.db2.gz RNMQXYXYQCUDID-KPKJPENVSA-N 0 0 409.217 4.187 50 5 HIBARN CC(C)(C)OC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000038537195 568998080 /nfs/dbraw/zinc/99/80/80/568998080.db2.gz XHXMEPDDTAZFPG-UHFFFAOYSA-N 0 0 401.257 4.136 50 5 HIBARN COc1ccc(-n2c(-c3ccc([N+](=O)[O-])cc3)cs/c2=N\c2ncccn2)cc1 ZINC000101137498 569013172 /nfs/dbraw/zinc/01/31/72/569013172.db2.gz XIGJVJMPAQVWBA-ATJXCDBQSA-N 0 0 405.439 4.145 50 5 HIBARN COc1ccc(-c2cc([N+](=O)[O-])ccc2OCCn2c3ccccc3oc2=O)cc1 ZINC000026109212 569016519 /nfs/dbraw/zinc/01/65/19/569016519.db2.gz OPVBDYSTUMPQSA-UHFFFAOYSA-N 0 0 406.394 4.257 50 5 HIBARN Cc1ccc(C(=O)N2Cc3cc4c(cc3C3(CCCC3)C2)OCCO4)cc1[N+](=O)[O-] ZINC000012883556 569019335 /nfs/dbraw/zinc/01/93/35/569019335.db2.gz AFCVWLMSUCHEID-UHFFFAOYSA-N 0 0 408.454 4.142 50 5 HIBARN O=C(O[C@H](C(=O)N1CCCCC1)c1ccccc1)c1cc([N+](=O)[O-])ccc1Cl ZINC000012906410 569021335 /nfs/dbraw/zinc/02/13/35/569021335.db2.gz ZRSLACZBINFAIZ-SFHVURJKSA-N 0 0 402.834 4.159 50 5 HIBARN O=C(Cc1nc(COc2ccc(Cl)cc2[N+](=O)[O-])cs1)NCc1ccccc1 ZINC000012914799 569022224 /nfs/dbraw/zinc/02/22/24/569022224.db2.gz SSWLFIZERHZKMX-UHFFFAOYSA-N 0 0 417.874 4.143 50 5 HIBARN O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000012925504 569023715 /nfs/dbraw/zinc/02/37/15/569023715.db2.gz IGICRBBCCGBFHP-INIZCTEOSA-N 0 0 402.834 4.387 50 5 HIBARN O=C1N[C@H](c2ccc([N+](=O)[O-])cc2)Nc2sc3c(c21)CCN(Cc1ccccc1)C3 ZINC000016185160 569029626 /nfs/dbraw/zinc/02/96/26/569029626.db2.gz RUPXVOYRWMVWOM-FQEVSTJZSA-N 0 0 420.494 4.069 50 5 HIBARN COc1ccc(NC(=S)NC(=O)C(c2ccccc2)c2ccccc2)cc1[N+](=O)[O-] ZINC000016227713 569030078 /nfs/dbraw/zinc/03/00/78/569030078.db2.gz JANKJUCYQWYUMP-UHFFFAOYSA-N 0 0 421.478 4.249 50 5 HIBARN Cc1ccccc1CN1CCN(C(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000013002392 569049257 /nfs/dbraw/zinc/04/92/57/569049257.db2.gz QMZKNZAJGFMSPS-UHFFFAOYSA-N 0 0 405.454 4.121 50 5 HIBARN CCOC(=O)Oc1ccc(/C=C2\N=C(c3ccc(Cl)c([N+](=O)[O-])c3)OC2=O)cc1 ZINC000001838232 569056466 /nfs/dbraw/zinc/05/64/66/569056466.db2.gz CEONQCWXDARQGC-DHDCSXOGSA-N 0 0 416.773 4.128 50 5 HIBARN Nc1nc2sc3c(c2c2nnc(SCc4ccc([N+](=O)[O-])cc4)n21)CCCC3 ZINC000001840313 569056500 /nfs/dbraw/zinc/05/65/00/569056500.db2.gz CTZAKUOBSISQOS-UHFFFAOYSA-N 0 0 412.500 4.001 50 5 HIBARN CC(=O)N1N=C(c2cccc([N+](=O)[O-])c2)O[C@@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000064819661 569102138 /nfs/dbraw/zinc/10/21/38/569102138.db2.gz JUABQXBMNUROPO-HXUWFJFHSA-N 0 0 422.353 4.002 50 5 HIBARN Cc1cccc(CN(c2cccc(F)c2)S(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000036247939 569117222 /nfs/dbraw/zinc/11/72/22/569117222.db2.gz ZIEJECPLHPEPDP-UHFFFAOYSA-N 0 0 400.431 4.438 50 5 HIBARN CCc1cccc2c([C@@H](CC(=O)N3CCOCC3)c3cccc([N+](=O)[O-])c3)c[nH]c21 ZINC000006837516 569149324 /nfs/dbraw/zinc/14/93/24/569149324.db2.gz XGHMTJFZEVAKKD-FQEVSTJZSA-N 0 0 407.470 4.019 50 5 HIBARN Cc1cc(NC(=O)c2cccc(C)c2[N+](=O)[O-])n(-c2cccc(Br)c2)n1 ZINC000036759214 569227034 /nfs/dbraw/zinc/22/70/34/569227034.db2.gz UHKYEJDCMGZCPR-UHFFFAOYSA-N 0 0 415.247 4.412 50 5 HIBARN Cc1c(C(=O)Nc2ccc3c(c2)OCO3)sc2nc(-c3cccc([N+](=O)[O-])c3)cn12 ZINC000016992597 569270758 /nfs/dbraw/zinc/27/07/58/569270758.db2.gz BRKZGJGURXWWJJ-UHFFFAOYSA-N 0 0 422.422 4.260 50 5 HIBARN CC(C)S(=O)(=O)c1csc(NC(=O)Nc2cccc([N+](=O)[O-])c2)c1Cl ZINC000002150850 569290055 /nfs/dbraw/zinc/29/00/55/569290055.db2.gz GADNKVJBROSOAU-UHFFFAOYSA-N 0 0 403.869 4.136 50 5 HIBARN C[C@@H](NC(=O)COC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccc2c(c1)CCCC2 ZINC000007756246 569307209 /nfs/dbraw/zinc/30/72/09/569307209.db2.gz IIAFDMSCZZTMFQ-CYBMUJFWSA-N 0 0 416.861 4.161 50 5 HIBARN COc1cc2c(c(OC)c1)C(C)(C)[C@@]1(C=Cc3cc(OC)cc([N+](=O)[O-])c3O1)N2C ZINC000002272150 569327012 /nfs/dbraw/zinc/32/70/12/569327012.db2.gz QPCUDGOECQTVES-QFIPXVFZSA-N 0 0 412.442 4.150 50 5 HIBARN O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1cc2cc(Br)ccc2oc1=O ZINC000027520426 569327959 /nfs/dbraw/zinc/32/79/59/569327959.db2.gz CJEQXCRIASRNDT-QPJJXVBHSA-N 0 0 415.199 4.116 50 5 HIBARN O=C1OC(c2cc([N+](=O)[O-])ccc2Cl)=N/C1=C/c1cc(Br)cs1 ZINC000027519820 569328066 /nfs/dbraw/zinc/32/80/66/569328066.db2.gz ADRRLKMBUHSCQJ-LFYBBSHMSA-N 0 0 413.636 4.417 50 5 HIBARN O=C(Nn1c(=O)c2ccccc2nc1-c1cccc([N+](=O)[O-])c1)c1ccccc1Cl ZINC000027527332 569363920 /nfs/dbraw/zinc/36/39/20/569363920.db2.gz WOWQQJLEXQTGJZ-UHFFFAOYSA-N 0 0 420.812 4.009 50 5 HIBARN COc1ccc(C(=O)Nc2ccccc2C(=O)N(C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000009426436 569392633 /nfs/dbraw/zinc/39/26/33/569392633.db2.gz UNVFUOZDOOKGDJ-UHFFFAOYSA-N 0 0 419.437 4.128 50 5 HIBARN COc1cc([N+](=O)[O-])ccc1NC(=S)NC(=O)C(c1ccccc1)c1ccccc1 ZINC000009553916 569393661 /nfs/dbraw/zinc/39/36/61/569393661.db2.gz CZCWIAXUZUTOMW-UHFFFAOYSA-N 0 0 421.478 4.249 50 5 HIBARN O=C(Nc1ccc(Cl)c(Cl)c1)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 ZINC000012787736 569403336 /nfs/dbraw/zinc/40/33/36/569403336.db2.gz HMDNNVKUTCSLHP-SECBINFHSA-N 0 0 412.204 4.032 50 5 HIBARN COc1cc(C(=O)Nc2nc3c(s2)CCCCC3)c([N+](=O)[O-])cc1OC(F)F ZINC000012829902 569404021 /nfs/dbraw/zinc/40/40/21/569404021.db2.gz IWCVNDHPFFTKME-UHFFFAOYSA-N 0 0 413.402 4.183 50 5 HIBARN CCOc1ccc([C@H]2CCCN2S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)cc1 ZINC000012981796 569405729 /nfs/dbraw/zinc/40/57/29/569405729.db2.gz KQWBQJGHQAQNGR-LJQANCHMSA-N 0 0 404.488 4.136 50 5 HIBARN C[C@@H](Oc1ccc(F)c2c1C(=O)C[C@H]2C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000012996729 569406024 /nfs/dbraw/zinc/40/60/24/569406024.db2.gz UVJPGQIRDLDJOE-NXEZZACHSA-N 0 0 406.797 4.483 50 5 HIBARN CC(=O)c1ccc(Oc2ccc(S(=O)(=O)N3CCCCCC3)cc2[N+](=O)[O-])cc1 ZINC000013041934 569407749 /nfs/dbraw/zinc/40/77/49/569407749.db2.gz VSNHRAGRQKWZAC-UHFFFAOYSA-N 0 0 418.471 4.154 50 5 HIBARN Cc1cc(Cl)ccc1NC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 ZINC000013141295 569409770 /nfs/dbraw/zinc/40/97/70/569409770.db2.gz NVYRGGBKNPSDCF-UHFFFAOYSA-N 0 0 403.851 4.089 50 5 HIBARN Cc1nn(Cc2ccc(Cl)cc2)c(C)c1NC(=O)c1noc(C(C)C)c1[N+](=O)[O-] ZINC000013366544 569412270 /nfs/dbraw/zinc/41/22/70/569412270.db2.gz GWTIFCBDHHXMFI-UHFFFAOYSA-N 0 0 417.853 4.474 50 5 HIBARN O=C(Nc1ccc(Cl)cc1Cl)N1CCCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000019834475 569430780 /nfs/dbraw/zinc/43/07/80/569430780.db2.gz VKUBZBQUNQZGRJ-UHFFFAOYSA-N 0 0 410.261 4.041 50 5 HIBARN CCn1c(CN2CCCCC2)nc2cc(NC(=O)c3ccccc3[N+](=O)[O-])ccc21 ZINC000008606706 571092301 /nfs/dbraw/zinc/09/23/01/571092301.db2.gz ONPOPEWXBCFDHK-UHFFFAOYSA-N 0 0 407.474 4.203 50 5 HIBARN Cc1ccccc1Nc1nnc(SCC(=O)Nc2ccccc2[N+](=O)[O-])s1 ZINC000008687548 571101940 /nfs/dbraw/zinc/10/19/40/571101940.db2.gz OIWXYXFBRDMAIX-UHFFFAOYSA-N 0 0 401.473 4.229 50 5 HIBARN O=[N+]([O-])c1ccc(N2C(=S)N3CCCN3[C@@H]2c2ccc(Br)cc2)cc1 ZINC000008846710 571125799 /nfs/dbraw/zinc/12/57/99/571125799.db2.gz DTKDZTRLCCSDEB-INIZCTEOSA-N 0 0 419.304 4.084 50 5 HIBARN O=C(Nc1cccc([N+](=O)[O-])c1)[C@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 ZINC000040073742 571153938 /nfs/dbraw/zinc/15/39/38/571153938.db2.gz ZVLQZTBBUGHUNI-MRXNPFEDSA-N 0 0 408.241 4.145 50 5 HIBARN CCCCCOc1ccc([C@@H](C)NC(=O)c2cc([N+](=O)[O-])cnc2C)cc1OC ZINC000040121751 571177797 /nfs/dbraw/zinc/17/77/97/571177797.db2.gz UOEFJVOYUFYERX-CQSZACIVSA-N 0 0 401.463 4.367 50 5 HIBARN CCn1c(SCCOc2cccc([N+](=O)[O-])c2)nnc1-c1ccccc1OC ZINC000040127429 571179278 /nfs/dbraw/zinc/17/92/78/571179278.db2.gz FLNDJIBGYCLMRK-UHFFFAOYSA-N 0 0 400.460 4.053 50 5 HIBARN CCN(CC(=O)NCc1cccs1)c1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000009120359 571225247 /nfs/dbraw/zinc/22/52/47/571225247.db2.gz MDZNNNPCWLUDFF-UHFFFAOYSA-N 0 0 423.494 4.030 50 5 HIBARN CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)c1C ZINC000009254763 571243369 /nfs/dbraw/zinc/24/33/69/571243369.db2.gz CSBJSMHGBBEOJL-AWEZNQCLSA-N 0 0 424.409 4.431 50 5 HIBARN O=C(Nc1nnc(CSCc2ccc(F)cc2)s1)c1cccc([N+](=O)[O-])c1 ZINC000009359454 571251455 /nfs/dbraw/zinc/25/14/55/571251455.db2.gz CKBGKQZCBXMMTH-UHFFFAOYSA-N 0 0 404.448 4.271 50 5 HIBARN O=C(CSc1nnc2sc3ccccc3n12)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000009445169 571259409 /nfs/dbraw/zinc/25/94/09/571259409.db2.gz SDKXAFWWKXAKEQ-UHFFFAOYSA-N 0 0 419.875 4.236 50 5 HIBARN COc1ccc(CCC(=O)Nc2c3c(nn2-c2ccc([N+](=O)[O-])cc2)CSC3)cc1 ZINC000009517990 571265332 /nfs/dbraw/zinc/26/53/32/571265332.db2.gz MFNXIKLOJYAVHG-UHFFFAOYSA-N 0 0 424.482 4.107 50 5 HIBARN COc1cccc2c(=O)c3c(O)cc(OCC(=O)Nc4c(C)cccc4C)cc3oc12 ZINC000009530673 571266896 /nfs/dbraw/zinc/26/68/96/571266896.db2.gz YWYHEGZRLRKZQG-UHFFFAOYSA-N 0 0 419.433 4.295 50 5 HIBARN Cc1ccccc1CN(C)C(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000009878527 571289362 /nfs/dbraw/zinc/28/93/62/571289362.db2.gz IMAPCXGGNIGAKR-UHFFFAOYSA-N 0 0 410.396 4.176 50 5 HIBARN O=C(Nc1ccc(Cl)c(Cl)c1)c1cccn(Cc2cccc([N+](=O)[O-])c2)c1=O ZINC000010187813 571296177 /nfs/dbraw/zinc/29/61/77/571296177.db2.gz SXSBSBKTFCPVMA-UHFFFAOYSA-N 0 0 418.236 4.364 50 5 HIBARN O=C(/C=C/c1ccccc1[N+](=O)[O-])OCC(=O)Nc1ccccc1-c1ccccc1 ZINC000003322882 845012229 /nfs/dbraw/zinc/01/22/29/845012229.db2.gz NLVWHUSPXNUPEL-CCEZHUSRSA-N 0 0 402.406 4.457 50 5 HIBARN CCOC(=O)c1sc2[nH]c(C=Cc3ccc(Cl)c([N+](=O)[O-])c3)nc(=O)c2c1C ZINC000009539474 845574669 /nfs/dbraw/zinc/57/46/69/845574669.db2.gz WDJDSMCXJFOBIX-FNORWQNLSA-N 0 0 419.846 4.202 50 5 HIBARN O=C(/C=C\c1cc2c(cc1[N+](=O)[O-])OCO2)OCc1cc2ccccc2nc1Cl ZINC000097997970 852647693 /nfs/dbraw/zinc/64/76/93/852647693.db2.gz SUFINJINVIXVAY-WAYWQWQTSA-N 0 0 412.785 4.282 50 5 HIBARN O=C(c1ccc(Cl)cc1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000004499385 132277699 /nfs/dbraw/zinc/27/76/99/132277699.db2.gz AGRBLPBRKYAICN-UHFFFAOYSA-N 0 0 413.783 4.229 50 5 HIBARN O=C(/C=C/c1ccc(Cl)cc1)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000004688213 132283405 /nfs/dbraw/zinc/28/34/05/132283405.db2.gz BOJZEOXLOZEZCS-RMKNXTFCSA-N 0 0 406.269 4.264 50 5 aggregator HIBARN Nc1nc(N2CCC(Cc3ccccc3)CC2)nc(Nc2cccc(F)c2)c1[N+](=O)[O-] ZINC000005025280 132298707 /nfs/dbraw/zinc/29/87/07/132298707.db2.gz KVMRVPPTMLPAHX-UHFFFAOYSA-N 0 0 422.464 4.309 50 5 HIBARN O=C(/C=C/c1cccs1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000005200794 132303840 /nfs/dbraw/zinc/30/38/40/132303840.db2.gz BUZBAJLFSATERF-GQCTYLIASA-N 0 0 411.405 4.037 50 5 HIBARN Cc1c(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)cccc1[N+](=O)[O-] ZINC000006275642 132310030 /nfs/dbraw/zinc/31/00/30/132310030.db2.gz RWZGHFKHXLQYDC-UHFFFAOYSA-N 0 0 409.364 4.011 50 5 HIBARN Cc1ccc([N+](=O)[O-])c(OC(=O)c2cccc(CS(=O)(=O)c3ccccc3)c2)c1 ZINC000044336470 526065129 /nfs/dbraw/zinc/06/51/29/526065129.db2.gz YYYSOHYLHJWNEB-UHFFFAOYSA-N 0 0 411.435 4.096 50 5 HIBARN O=C(COc1ccccc1[N+](=O)[O-])Nc1ccccc1N1CCc2sccc2C1 ZINC000032915674 526996357 /nfs/dbraw/zinc/99/63/57/526996357.db2.gz RLEVNHSJAKQZMI-UHFFFAOYSA-N 0 0 409.467 4.237 50 5 HIBARN COc1cccc(-c2nnc(Sc3ccc([N+](=O)[O-])cn3)n2Cc2ccco2)c1 ZINC000023615757 558563791 /nfs/dbraw/zinc/56/37/91/558563791.db2.gz HUNMEWDULUPGEV-UHFFFAOYSA-N 0 0 409.427 4.049 50 5 HIBARN O=C(N/C(=C/c1cn(-c2ccc([N+](=O)[O-])cc2)nn1)c1ccccc1)c1ccccc1 ZINC000004482674 558602807 /nfs/dbraw/zinc/60/28/07/558602807.db2.gz LQKQAWKQTPOAPZ-PXLXIMEGSA-N 0 0 411.421 4.104 50 5 HIBARN COc1ccccc1OCCNc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000004499382 558612448 /nfs/dbraw/zinc/61/24/48/558612448.db2.gz DLCDTGRODLSQBI-UHFFFAOYSA-N 0 0 401.297 4.021 50 5 HIBARN O=[N+]([O-])c1cccc([C@@H]2SCCN2S(=O)(=O)c2cccc3ccccc32)c1 ZINC000004539333 558654972 /nfs/dbraw/zinc/65/49/72/558654972.db2.gz ZQDJSRZDORTGEZ-IBGZPJMESA-N 0 0 400.481 4.184 50 5 HIBARN CCCNC(=O)/C(=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1)NC(=O)c1ccccc1 ZINC000004538516 558661371 /nfs/dbraw/zinc/66/13/71/558661371.db2.gz SWGVOOUPLCCBAQ-HMMYKYKNSA-N 0 0 419.437 4.152 50 5 HIBARN CC[C@H]1CCc2c(sc3c2C(=O)N[C@@H](c2cc4c(cc2[N+](=O)[O-])OCO4)N3)C1 ZINC000004545473 558664737 /nfs/dbraw/zinc/66/47/37/558664737.db2.gz XVOCMLCDRHCDMS-HUTHGQBESA-N 0 0 401.444 4.329 50 5 HIBARN CCOc1ccc(CNc2ncnc(NCc3ccc(OCC)cc3)c2[N+](=O)[O-])cc1 ZINC000004596861 558829098 /nfs/dbraw/zinc/82/90/98/558829098.db2.gz UQVQOSVDKQZTKG-UHFFFAOYSA-N 0 0 423.473 4.406 50 5 HIBARN O=C(C[C@@H](c1c[nH]c2ccc([N+](=O)[O-])cc21)c1cccc([N+](=O)[O-])c1)N1CCCC1 ZINC000097954795 558865760 /nfs/dbraw/zinc/86/57/60/558865760.db2.gz IAORTXXHCIWULW-QGZVFWFLSA-N 0 0 408.414 4.129 50 5 HIBARN Cc1c(C(=O)N2CCC[C@H]2C(=O)Nc2cc(Cl)ccc2Cl)cccc1[N+](=O)[O-] ZINC000033133329 558888159 /nfs/dbraw/zinc/88/81/59/558888159.db2.gz WYVBUXOIMBDPCD-KRWDZBQOSA-N 0 0 422.268 4.453 50 5 HIBARN Cc1ccc(C(=O)N2CCC[C@H]2C(=O)Nc2cc(Cl)ccc2Cl)cc1[N+](=O)[O-] ZINC000033133581 558888187 /nfs/dbraw/zinc/88/81/87/558888187.db2.gz BRXUNOGYZVFABZ-INIZCTEOSA-N 0 0 422.268 4.453 50 5 HIBARN Cc1nc(SCC(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)[nH]c1CC(C)C ZINC000004625827 558890071 /nfs/dbraw/zinc/89/00/71/558890071.db2.gz HJWJYRNZUAJDBS-UHFFFAOYSA-N 0 0 405.505 4.165 50 5 HIBARN O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000023134645 559018144 /nfs/dbraw/zinc/01/81/44/559018144.db2.gz XXXXWQFKQHZUGH-UHFFFAOYSA-N 0 0 408.433 4.014 50 5 HIBARN COc1ccc([N+](=O)[O-])cc1NC1CCN(Cc2ccccc2Br)CC1 ZINC000004749436 559043695 /nfs/dbraw/zinc/04/36/95/559043695.db2.gz BXSMGROAQRKZBC-UHFFFAOYSA-N 0 0 420.307 4.442 50 5 HIBARN CCOc1ccc2nc(NC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)sc2c1 ZINC000004759779 559048817 /nfs/dbraw/zinc/04/88/17/559048817.db2.gz BNQKEVZGEOIEOA-UHFFFAOYSA-N 0 0 412.471 4.456 50 5 HIBARN COc1ccc(-c2nc3cc(C)ccn3c2NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000004791057 559065612 /nfs/dbraw/zinc/06/56/12/559065612.db2.gz SUUFKDFYQJJKLG-UHFFFAOYSA-N 0 0 402.410 4.479 50 5 HIBARN CCn1ccc(=O)c2c1cc(-c1ccccc1)nc2NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000085375875 559171424 /nfs/dbraw/zinc/17/14/24/559171424.db2.gz ICNFCYANWVTEQH-UHFFFAOYSA-N 0 0 414.421 4.244 50 5 HIBARN Cc1c(C(=O)N2CCN([C@@H](C)c3nc4ccccc4s3)CC2)cccc1[N+](=O)[O-] ZINC000023919068 559185572 /nfs/dbraw/zinc/18/55/72/559185572.db2.gz QHSUDLCLGBYQOO-HNNXBMFYSA-N 0 0 410.499 4.032 50 5 HIBARN CC[C@H](C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F)c1ccccc1 ZINC000004870628 559194206 /nfs/dbraw/zinc/19/42/06/559194206.db2.gz XKXXKNBYYWGWFW-AWEZNQCLSA-N 0 0 410.348 4.289 50 5 HIBARN CC(C)n1c(S[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])nc2ccccc2c1=O ZINC000004948427 559214733 /nfs/dbraw/zinc/21/47/33/559214733.db2.gz BRSVDTQUBWFIBI-CYBMUJFWSA-N 0 0 412.471 4.005 50 5 HIBARN CCOC(=O)c1ccc(NC(=O)c2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)cc1 ZINC000005034571 559232801 /nfs/dbraw/zinc/23/28/01/559232801.db2.gz STBXZDXWSQYBGJ-UHFFFAOYSA-N 0 0 410.382 4.292 50 5 HIBARN CCCCNC(=O)N[C@@H](CC(=O)c1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)Cl ZINC000005119174 559247570 /nfs/dbraw/zinc/24/75/70/559247570.db2.gz MGQBJJPGRYGEFR-ZDUSSCGKSA-N 0 0 410.685 4.006 50 5 HIBARN Cc1ccc(C(=O)Nc2cccc(-c3ccc(N4CCCC4)nn3)c2)cc1[N+](=O)[O-] ZINC000005259217 560551305 /nfs/dbraw/zinc/55/13/05/560551305.db2.gz KGQORZNBWSJHJH-UHFFFAOYSA-N 0 0 403.442 4.213 50 5 HIBARN CN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000005426023 560585449 /nfs/dbraw/zinc/58/54/49/560585449.db2.gz HZJKGGWICRPZLR-UHFFFAOYSA-N 0 0 407.213 4.224 50 5 HIBARN CCn1c2ccccc2c2cc(NC(=O)[C@@H](C)OC(=O)c3ccc([N+](=O)[O-])o3)ccc21 ZINC000003456483 560595341 /nfs/dbraw/zinc/59/53/41/560595341.db2.gz OMAOAUMYJAOSAZ-CYBMUJFWSA-N 0 0 421.409 4.500 50 5 HIBARN Cc1cc(C(=O)CCC(=O)OCC(=O)Nc2cc(C)c(C)cc2[N+](=O)[O-])c(C)s1 ZINC000004883752 560614811 /nfs/dbraw/zinc/61/48/11/560614811.db2.gz VBSLAENBQJJXGG-UHFFFAOYSA-N 0 0 418.471 4.035 50 5 HIBARN Cc1ccc(C(=O)N/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)N(C)C)cc1 ZINC000005005414 560620606 /nfs/dbraw/zinc/62/06/06/560620606.db2.gz XEUZBHZZGRGKHK-XSFVSMFZSA-N 0 0 419.437 4.022 50 5 HIBARN O=C1N=C(c2ccccc2)C(c2nc3ccccc3[nH]2)[C@@H](c2ccc([N+](=O)[O-])cc2)N1 ZINC000005588739 560627121 /nfs/dbraw/zinc/62/71/21/560627121.db2.gz XMWYCKMPSVSYKE-OAQYLSRUSA-N 0 0 411.421 4.394 50 5 HIBARN CSc1ccc(C(=O)N[C@@H](c2ccc3c(c2)OCCO3)C(C)C)cc1[N+](=O)[O-] ZINC000017368141 560711265 /nfs/dbraw/zinc/71/12/65/560711265.db2.gz HBXYOOYSKOTKGO-LJQANCHMSA-N 0 0 402.472 4.215 50 5 HIBARN CC(=O)CCc1ccc(Oc2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000018055795 560774186 /nfs/dbraw/zinc/77/41/86/560774186.db2.gz YMVCYCIPSPSHGX-UHFFFAOYSA-N 0 0 417.361 4.202 50 5 HIBARN O=C1[C@H]2CC=CC[C@@H]2C(=O)N1c1ccc(NCc2cccc(Cl)c2)c([N+](=O)[O-])c1 ZINC000102785147 560827545 /nfs/dbraw/zinc/82/75/45/560827545.db2.gz ZEYAPMLOJPNADZ-IRXDYDNUSA-N 0 0 411.845 4.316 50 5 HIBARN O=C1Nc2ccc([N+](=O)[O-])cc2[C@@]12Oc1ccccc1[C@@H]1CC(c3cccs3)=NN12 ZINC000051330289 560873894 /nfs/dbraw/zinc/87/38/94/560873894.db2.gz IWEQWAKBZQGQIZ-LAUBAEHRSA-N 0 0 418.434 4.005 50 5 HIBARN COc1cc(C(=O)NCc2cc(C)no2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000048356393 568441177 /nfs/dbraw/zinc/44/11/77/568441177.db2.gz CQMFHXKRKGYMHO-UHFFFAOYSA-N 0 0 417.805 4.276 50 5 HIBARN Cn1c2ccccc2c(=O)c2c(=O)n(CCc3ccccc3)c(-c3ccccc3)nc21 ZINC000006767985 568459116 /nfs/dbraw/zinc/45/91/16/568459116.db2.gz LANKJFXPIMMQFT-UHFFFAOYSA-N 0 0 407.473 4.158 50 5 HIBARN COC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)sc2c1CC[C@@H](C)C2 ZINC000000668448 568460068 /nfs/dbraw/zinc/46/00/68/568460068.db2.gz ORULKKDBUFKXSB-SECBINFHSA-N 0 0 408.863 4.473 50 5 HIBARN Nc1c(C(=O)Nc2ccc(F)cc2)c2ccccn2c1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000012342171 568484105 /nfs/dbraw/zinc/48/41/05/568484105.db2.gz LKVSZUAYKRMTOM-UHFFFAOYSA-N 0 0 418.384 4.052 50 5 HIBARN Cc1noc([C@H](C)Sc2nnc(-c3ccc([N+](=O)[O-])cc3)n2-c2ccccc2)n1 ZINC000024928046 568486247 /nfs/dbraw/zinc/48/62/47/568486247.db2.gz MYVDUSCXJABVEJ-LBPRGKRZSA-N 0 0 408.443 4.387 50 5 HIBARN CC(=O)c1cccc(NC(=O)c2nn(C34CC5CC(CC(C5)C3)C4)cc2[N+](=O)[O-])c1 ZINC000020177434 568592575 /nfs/dbraw/zinc/59/25/75/568592575.db2.gz KXSXMTZSCVDQSQ-UHFFFAOYSA-N 0 0 408.458 4.172 50 5 HIBARN Cc1nc(SCc2nc3cc([N+](=O)[O-])ccc3[nH]2)[nH]c(=O)c1Cc1ccccc1 ZINC000020442861 568607708 /nfs/dbraw/zinc/60/77/08/568607708.db2.gz KJNCPLQVVFUDFJ-UHFFFAOYSA-N 0 0 407.455 4.158 50 5 HIBARN CC(=O)N1N=C(c2ccc(Cl)c([N+](=O)[O-])c2)O[C@H]1c1ccc(Br)cc1 ZINC000021091861 568664333 /nfs/dbraw/zinc/66/43/33/568664333.db2.gz UUHYCORLJCZIKP-INIZCTEOSA-N 0 0 424.638 4.250 50 5 HIBARN O=c1c2ccc[nH]c-2c(Nc2ccc(Cl)c([N+](=O)[O-])c2)n1Cc1cccs1 ZINC000021105956 568667079 /nfs/dbraw/zinc/66/70/79/568667079.db2.gz BTLXYAVUPQREIQ-QGZVFWFLSA-N 0 0 400.847 4.471 50 5 HIBARN CC(=O)Oc1cccc(N2C(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3C2=O)c1 ZINC000000850643 568711355 /nfs/dbraw/zinc/71/13/55/568711355.db2.gz ISYUHRVCCJZCMQ-UHFFFAOYSA-N 0 0 418.361 4.113 50 5 HIBARN O=C(C[C@H](c1c[nH]c2ccc(Cl)cc21)c1ccccc1[N+](=O)[O-])N1CCOCC1 ZINC000096276436 568715401 /nfs/dbraw/zinc/71/54/01/568715401.db2.gz SIVJLXKVNWKGPY-INIZCTEOSA-N 0 0 413.861 4.110 50 5 HIBARN CC[C@@H](C)[C@H](NC(=O)COCc1ccccc1)c1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000096277256 568715800 /nfs/dbraw/zinc/71/58/00/568715800.db2.gz FCHVGXPUIGOJHG-QRWLVFNGSA-N 0 0 424.457 4.065 50 5 HIBARN COc1c(Cl)cc([N+](=O)[O-])c(OC)c1C(=O)NC(=O)Nc1c(C)cc(C)cc1C ZINC000001031366 568764078 /nfs/dbraw/zinc/76/40/78/568764078.db2.gz BQYVBJWIWPBZTK-UHFFFAOYSA-N 0 0 421.837 4.153 50 5 HIBARN CCOC(=O)[C@@H](C)Oc1ccc(C)c(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000001042268 568764410 /nfs/dbraw/zinc/76/44/10/568764410.db2.gz QGWDYCIXCQCUKX-GFCCVEGCSA-N 0 0 406.822 4.139 50 5 HIBARN O=C(Nc1cc(Oc2ccc(Cl)cc2)cc([N+](=O)[O-])c1)c1cnn2cccnc12 ZINC000001059230 568765047 /nfs/dbraw/zinc/76/50/47/568765047.db2.gz OPIZYYBSAIFBRY-UHFFFAOYSA-N 0 0 409.789 4.336 50 5 HIBARN COC(=O)c1ccc(COC(=O)CCSc2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000001067644 568766039 /nfs/dbraw/zinc/76/60/39/568766039.db2.gz ZSUSZAUWHFJVPQ-UHFFFAOYSA-N 0 0 409.847 4.260 50 5 HIBARN Cc1ccc(C)c(N2C(=O)[C@H]3[C@@H](C2=O)C2([N+](=O)[O-])c4ccccc4C3c3ccccc32)c1 ZINC000001072315 568768296 /nfs/dbraw/zinc/76/82/96/568768296.db2.gz HYTQEWLPIKHJJG-VUUXHMSQSA-N 0 0 424.456 4.088 50 5 HIBARN Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)Nc3cccc([N+](=O)[O-])c3)cc2)cc1 ZINC000001135901 568773280 /nfs/dbraw/zinc/77/32/80/568773280.db2.gz VAMFFUWJUQPKOU-UHFFFAOYSA-N 0 0 410.451 4.129 50 5 HIBARN Cc1nn(S(=O)(=O)c2ccccc2[N+](=O)[O-])c(C)c1Sc1ccc(C)cc1 ZINC000002474972 568773601 /nfs/dbraw/zinc/77/36/01/568773601.db2.gz FDISWLXZGRXZHX-UHFFFAOYSA-N 0 0 403.485 4.105 50 5 HIBARN CCOC(=O)c1c(NC(=O)COc2ccc([N+](=O)[O-])c(C)c2)sc2c1CCCC2 ZINC000002609909 568785339 /nfs/dbraw/zinc/78/53/39/568785339.db2.gz JRLAQLVRICAEQK-UHFFFAOYSA-N 0 0 418.471 4.038 50 5 HIBARN O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000002651578 568796461 /nfs/dbraw/zinc/79/64/61/568796461.db2.gz ABOSSBLPXSYRHZ-UHFFFAOYSA-N 0 0 419.153 4.394 50 5 HIBARN CC[C@H]1CCc2c(sc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)c2C(N)=O)C1 ZINC000002745957 568806022 /nfs/dbraw/zinc/80/60/22/568806022.db2.gz JTSOXVRTUZLDFR-VIFPVBQESA-N 0 0 407.879 4.176 50 5 HIBARN O=C(Nc1ccc(F)cc1F)c1ccn(COc2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000002798576 568809569 /nfs/dbraw/zinc/80/95/69/568809569.db2.gz CEOPYIPYZLTCIH-UHFFFAOYSA-N 0 0 408.748 4.012 50 5 HIBARN O=[N+]([O-])c1ccc(OCc2cccc(-c3n[nH]c(=S)n3C[C@H]3CCCO3)c2)cc1 ZINC000002792542 568810068 /nfs/dbraw/zinc/81/00/68/568810068.db2.gz TYFVAWIOLGNNOR-GOSISDBHSA-N 0 0 412.471 4.274 50 5 HIBARN Cc1cc2c(nc3s/c(=C\c4ccc(-c5ccc([N+](=O)[O-])cc5)o4)c(=O)n23)c(C)c1 ZINC000002915701 568815649 /nfs/dbraw/zinc/81/56/49/568815649.db2.gz VDDYRVKVHQSFEA-ODLFYWEKSA-N 0 0 417.446 4.242 50 5 HIBARN Cc1cc(Br)cc(C)c1NC(=S)NC(=O)c1ccccc1[N+](=O)[O-] ZINC000001171568 568818779 /nfs/dbraw/zinc/81/87/79/568818779.db2.gz UOKDYBKVLJGPMJ-UHFFFAOYSA-N 0 0 408.277 4.101 50 5 HIBARN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(I)cc1 ZINC000001176190 568818917 /nfs/dbraw/zinc/81/89/17/568818917.db2.gz PAMZGNIFKHAHQU-UHFFFAOYSA-N 0 0 402.575 4.105 50 5 HIBARN CCOC(=O)c1cc(C(=O)c2ccc([N+](=O)[O-])cc2)n2cnc3cc(Cl)ccc3c12 ZINC000025581614 568822484 /nfs/dbraw/zinc/82/24/84/568822484.db2.gz HGHQUQZWXYNZDU-UHFFFAOYSA-N 0 0 423.812 4.457 50 5 HIBARN CCCC(=O)Nc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Br)cc1 ZINC000001209648 568823570 /nfs/dbraw/zinc/82/35/70/568823570.db2.gz NLWZWDPVUHNROM-UHFFFAOYSA-N 0 0 406.236 4.348 50 5 HIBARN Cc1c([C@H](C)NC(=O)c2ccc([N+](=O)[O-])o2)cnn1-c1cccc(C(F)(F)F)c1 ZINC000029292558 568824090 /nfs/dbraw/zinc/82/40/90/568824090.db2.gz LSEWTTABQACOSF-JTQLQIEISA-N 0 0 408.336 4.192 50 5 HIBARN CC[C@@H](Sc1nc2ccccc2c2nc3ccccc3n21)C(=O)NCCCOC ZINC000002959675 568830164 /nfs/dbraw/zinc/83/01/64/568830164.db2.gz IIRNZXXOCPJECV-LJQANCHMSA-N 0 0 408.527 4.059 50 5 HIBARN COc1ccc(C(=O)NC(=S)Nc2cc(Cl)cc(Cl)c2)cc1[N+](=O)[O-] ZINC000002978379 568831569 /nfs/dbraw/zinc/83/15/69/568831569.db2.gz MXYVDAYHDNCYDI-UHFFFAOYSA-N 0 0 400.243 4.037 50 5 HIBARN CC(=O)c1cccc(NC(=O)[C@@H](Oc2ccc(C)nc2[N+](=O)[O-])c2ccccc2)c1 ZINC000005969973 568833055 /nfs/dbraw/zinc/83/30/55/568833055.db2.gz LWKUXQIYYRMZEQ-FQEVSTJZSA-N 0 0 405.410 4.260 50 5 HIBARN COc1ccc(OC)c(C(=O)c2ccc(C(=O)Nc3cccc([N+](=O)[O-])c3)cc2)c1 ZINC000001228913 568838447 /nfs/dbraw/zinc/83/84/47/568838447.db2.gz DROCSAGPABEYNM-UHFFFAOYSA-N 0 0 406.394 4.095 50 5 HIBARN CSCC[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1nc2ccccc2[nH]1 ZINC000012476119 568838633 /nfs/dbraw/zinc/83/86/33/568838633.db2.gz USPYAFBMZSZEGA-INIZCTEOSA-N 0 0 404.879 4.349 50 5 aggregator HIBARN CCN(CC)S(=O)(=O)c1ccc(N[C@H]2CCC[C@@H](C(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC000012517248 568840819 /nfs/dbraw/zinc/84/08/19/568840819.db2.gz XNQLBPYSZFNVKN-OLZOCXBDSA-N 0 0 423.457 4.158 50 5 HIBARN C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)Cn1c2ccccc2nc1-c1cscn1 ZINC000012535645 568845070 /nfs/dbraw/zinc/84/50/70/568845070.db2.gz PGGIWEKGZVOBJP-AWEZNQCLSA-N 0 0 421.482 4.288 50 5 HIBARN Cc1nn(S(=O)(=O)c2ccc(C)cc2)c(C)c1Sc1ccc([N+](=O)[O-])cc1 ZINC000003076631 568853717 /nfs/dbraw/zinc/85/37/17/568853717.db2.gz VLIDHXQVFGQBMW-UHFFFAOYSA-N 0 0 403.485 4.105 50 5 HIBARN Cc1ccc(OC(=O)c2ccc(N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)cc2)cc1C ZINC000003197116 568860561 /nfs/dbraw/zinc/86/05/61/568860561.db2.gz DVSPXUTZOUAMSC-UHFFFAOYSA-N 0 0 416.389 4.231 50 5 HIBARN COc1ccc(C)cc1NC(=O)[C@H](OC(=O)c1ccc([N+](=O)[O-])o1)c1ccccc1 ZINC000003253853 568868115 /nfs/dbraw/zinc/86/81/15/568868115.db2.gz PYFQZLLAZIAATP-LJQANCHMSA-N 0 0 410.382 4.042 50 5 aggregator HIBARN O=C(Cc1ccccc1)N[C@H](Nc1cccc([N+](=O)[O-])c1)C(Cl)(Cl)Cl ZINC000001232870 568877441 /nfs/dbraw/zinc/87/74/41/568877441.db2.gz LBMXKOFQXSUZPV-HNNXBMFYSA-N 0 0 402.665 4.062 50 5 HIBARN COc1ccc(-n2nc3c(c2NC(=O)c2ccc(C)c([N+](=O)[O-])c2)CSC3)cc1 ZINC000004079163 568882782 /nfs/dbraw/zinc/88/27/82/568882782.db2.gz OWRRDUGOYGQMGI-UHFFFAOYSA-N 0 0 410.455 4.097 50 5 HIBARN O=C(CSc1nnc(-c2ccc(Cl)cc2)o1)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000003395935 568895249 /nfs/dbraw/zinc/89/52/49/568895249.db2.gz BBQWQTWKVNNXQF-UHFFFAOYSA-N 0 0 408.798 4.168 50 5 HIBARN O=[N+]([O-])c1ccc2cnn(CNC3(c4cccc(Br)c4)CCC3)c2c1 ZINC000058209012 568899742 /nfs/dbraw/zinc/89/97/42/568899742.db2.gz HTSHKOITSUQXQF-UHFFFAOYSA-N 0 0 401.264 4.334 50 5 HIBARN O=[N+]([O-])c1cc(CSc2ncnc3sc4c(c32)CCC4)c2c(c1)COCO2 ZINC000003471167 568907859 /nfs/dbraw/zinc/90/78/59/568907859.db2.gz YBHLPIOUQHPUCW-UHFFFAOYSA-N 0 0 401.469 4.247 50 5 HIBARN O=[N+]([O-])c1cc(Cl)ccc1NCCCNS(=O)(=O)c1ccc2ccccc2c1 ZINC000004108287 568908412 /nfs/dbraw/zinc/90/84/12/568908412.db2.gz UBNBCXIVLIPJLN-UHFFFAOYSA-N 0 0 419.890 4.182 50 5 HIBARN COc1ccc(C(=O)Nc2cccc(-c3nc4ncccc4o3)c2C)cc1[N+](=O)[O-] ZINC000001309737 568913702 /nfs/dbraw/zinc/91/37/02/568913702.db2.gz WGWJJHMNPJEFGX-UHFFFAOYSA-N 0 0 404.382 4.367 50 5 HIBARN CCc1cc2c(CN(C)Cc3cc([N+](=O)[O-])ccc3Cl)cc(=O)oc2cc1O ZINC000058419319 568916914 /nfs/dbraw/zinc/91/69/14/568916914.db2.gz APYSMDCNQGWVJS-UHFFFAOYSA-N 0 0 402.834 4.255 50 5 HIBARN CCCCc1nc2ccccc2n2c(-c3ccccc3)c3c(c12)n(C)c(=O)n(C)c3=O ZINC000003644429 568922198 /nfs/dbraw/zinc/92/21/98/568922198.db2.gz XQVRYVKBKNGUSI-UHFFFAOYSA-N 0 0 412.493 4.048 50 5 HIBARN Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nc2ccccc2c(NC2CC2)n1 ZINC000031784272 568931234 /nfs/dbraw/zinc/93/12/34/568931234.db2.gz PGZWZJCORAPVLN-UHFFFAOYSA-N 0 0 409.471 4.152 50 5 HIBARN C[C@@H](CCc1nc2ccccc2s1)OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000004135359 568945517 /nfs/dbraw/zinc/94/55/17/568945517.db2.gz SSSWGNLCIQKGNM-NSHDSACASA-N 0 0 401.400 4.291 50 5 HIBARN COCCn1c(SCc2cccc([N+](=O)[O-])c2)nnc1-c1c[nH]c2ccccc21 ZINC000004138688 568945823 /nfs/dbraw/zinc/94/58/23/568945823.db2.gz GLOSFFVYKSHVML-UHFFFAOYSA-N 0 0 409.471 4.273 50 5 HIBARN CC1(C)CO[C@H](c2ccccc2Cl)CN1Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000084673675 568955298 /nfs/dbraw/zinc/95/52/98/568955298.db2.gz LSZPMYJXBGCCGA-IBGZPJMESA-N 0 0 400.866 4.408 50 5 HIBARN CC1(C)CO[C@@H](c2ccccc2Cl)CN1Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000084673677 568955329 /nfs/dbraw/zinc/95/53/29/568955329.db2.gz LSZPMYJXBGCCGA-LJQANCHMSA-N 0 0 400.866 4.408 50 5 HIBARN COc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nc2ccccc2n1CC(C)C ZINC000004265150 568956060 /nfs/dbraw/zinc/95/60/60/568956060.db2.gz KQHNABNWNCLZED-UHFFFAOYSA-N 0 0 414.487 4.340 50 5 HIBARN CN(CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])Cc1ccc(C(F)(F)F)cc1 ZINC000008092471 568973452 /nfs/dbraw/zinc/97/34/52/568973452.db2.gz OSWKYXILMVSSHP-UHFFFAOYSA-N 0 0 401.772 4.338 50 5 HIBARN Cc1ccc([C@@H](C)NC(=O)CSc2nnc(-c3cccc([N+](=O)[O-])c3)o2)cc1C ZINC000008210779 568982588 /nfs/dbraw/zinc/98/25/88/568982588.db2.gz AHQNJYUCXGVTCV-CQSZACIVSA-N 0 0 412.471 4.231 50 5 HIBARN Cc1nc(COc2ccc(F)cc2)sc1C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000012822492 569006504 /nfs/dbraw/zinc/00/65/04/569006504.db2.gz XZRIFOJLAWNGSO-UHFFFAOYSA-N 0 0 405.382 4.469 50 5 HIBARN Cc1nc(Nc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc(N2CCCC2)n1 ZINC000015838354 569013699 /nfs/dbraw/zinc/01/36/99/569013699.db2.gz AZWPZUBOYJIQMC-UHFFFAOYSA-N 0 0 418.457 4.289 50 5 HIBARN COc1cc([N+](=O)[O-])c(OC)cc1SCC1N=NC(=S)N1c1ccc(C)cc1 ZINC000015923541 569021480 /nfs/dbraw/zinc/02/14/80/569021480.db2.gz JQXLOMONZIVCEW-UHFFFAOYSA-N 0 0 418.500 4.082 50 5 HIBARN COc1cccc(C(=O)Nc2ccc([N+](=O)[O-])c(NC(=O)c3cccc(OC)c3)c2)c1 ZINC000016225947 569029990 /nfs/dbraw/zinc/02/99/90/569029990.db2.gz DJCYTZKKOURRJT-UHFFFAOYSA-N 0 0 421.409 4.117 50 5 HIBARN O=C1S/C(=C\c2ccc(Br)o2)C(=O)N1Cc1cccc([N+](=O)[O-])c1 ZINC000016399843 569041207 /nfs/dbraw/zinc/04/12/07/569041207.db2.gz RNMQXYXYQCUDID-GHXNOFRVSA-N 0 0 409.217 4.187 50 5 HIBARN O=C1c2ccc(Oc3cccc([N+](=O)[O-])c3)cc2C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000002028532 569062649 /nfs/dbraw/zinc/06/26/49/569062649.db2.gz RCQULHZCZYZZFJ-UHFFFAOYSA-N 0 0 405.322 4.096 50 5 HIBARN CC(=O)c1ccc(O[C@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1 ZINC000006606472 569071252 /nfs/dbraw/zinc/07/12/52/569071252.db2.gz LVPONLLXUGARCI-CYBMUJFWSA-N 0 0 411.439 4.327 50 5 HIBARN CC(C)Nc1cc(N2CCN(C(=O)c3cc4ccccc4o3)CC2)ccc1[N+](=O)[O-] ZINC000006672860 569087193 /nfs/dbraw/zinc/08/71/93/569087193.db2.gz VHMQPZRLQYXMMF-UHFFFAOYSA-N 0 0 408.458 4.124 50 5 HIBARN CC(=O)N1N=C(c2cccc([N+](=O)[O-])c2)O[C@@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000064819664 569102132 /nfs/dbraw/zinc/10/21/32/569102132.db2.gz OVCMRTUUHHUYFU-HXUWFJFHSA-N 0 0 422.353 4.002 50 5 HIBARN COc1ccc([N+](=O)[O-])cc1CN1CCCn2cccc2[C@@H]1c1ccccc1[N+](=O)[O-] ZINC000036347811 569144257 /nfs/dbraw/zinc/14/42/57/569144257.db2.gz BBCPIZSGTBQWOF-QFIPXVFZSA-N 0 0 422.441 4.308 50 5 HIBARN COc1ccc(OC)c([C@@H]2c3cccn3CCCN2Cc2ccc([N+](=O)[O-])cc2)c1 ZINC000036347991 569144351 /nfs/dbraw/zinc/14/43/51/569144351.db2.gz HQOGDBITGKKXTN-HSZRJFAPSA-N 0 0 407.470 4.409 50 5 HIBARN O=C(COC(=O)C(c1ccccc1)c1ccccc1)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000006889704 569171758 /nfs/dbraw/zinc/17/17/58/569171758.db2.gz BRZIGZCEVUHTMH-UHFFFAOYSA-N 0 0 408.385 4.048 50 5 HIBARN Cc1cccc(C(=O)N2CCC(C(=O)c3c(F)cc(F)cc3F)CC2)c1[N+](=O)[O-] ZINC000170626995 569250635 /nfs/dbraw/zinc/25/06/35/569250635.db2.gz RVZJDZPJHYXFDL-UHFFFAOYSA-N 0 0 406.360 4.056 50 5 HIBARN C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)c1cccc2ccccc21 ZINC000014601955 569260474 /nfs/dbraw/zinc/26/04/74/569260474.db2.gz NCVOOILXYIJDKO-INIZCTEOSA-N 0 0 405.454 4.076 50 5 HIBARN Cc1cccc(Nc2nnc(SCC(=O)Nc3cccc([N+](=O)[O-])c3)s2)c1 ZINC000089672886 569262321 /nfs/dbraw/zinc/26/23/21/569262321.db2.gz KZZAEUBQBCEUCL-UHFFFAOYSA-N 0 0 401.473 4.229 50 5 HIBARN O=C(COc1ccc([N+](=O)[O-])cc1)N(Cc1ccco1)Cc1ccccc1Cl ZINC000016750686 569262334 /nfs/dbraw/zinc/26/23/34/569262334.db2.gz LKDJIXPEIKPKAM-UHFFFAOYSA-N 0 0 400.818 4.449 50 5 HIBARN Cc1[nH]c2c(cccc2Cl)c1CCNS(=O)(=O)c1cc(C)c(C)c([N+](=O)[O-])c1 ZINC000016780241 569262829 /nfs/dbraw/zinc/26/28/29/569262829.db2.gz VXLLNJPPJWGEHK-UHFFFAOYSA-N 0 0 421.906 4.176 50 5 HIBARN COC(=O)c1ccc(N2COc3c(cc4c5ccccc5c(=O)oc4c3C)C2)cc1 ZINC000002117570 569284730 /nfs/dbraw/zinc/28/47/30/569284730.db2.gz UWKCDSYDVGLMLW-UHFFFAOYSA-N 0 0 401.418 4.398 50 5 biogenic HIBARN COc1ccc(-c2nc(NC(=O)c3cccc([N+](=O)[O-])c3)sc2C)cc1[N+](=O)[O-] ZINC000002187039 569293492 /nfs/dbraw/zinc/29/34/92/569293492.db2.gz DFLIXEZQVMLTGT-UHFFFAOYSA-N 0 0 414.399 4.196 50 5 HIBARN COc1ccc(-c2nc3ccccc3c(=O)n2CCOc2ccc([N+](=O)[O-])cc2)cc1 ZINC000002207382 569296923 /nfs/dbraw/zinc/29/69/23/569296923.db2.gz HQPYXEPXCPILMF-UHFFFAOYSA-N 0 0 417.421 4.059 50 5 HIBARN COc1ccc(Br)cc1/C=C1/N=C(c2ccc(C)c([N+](=O)[O-])c2)OC1=O ZINC000027519263 569327853 /nfs/dbraw/zinc/32/78/53/569327853.db2.gz HETISQSRCACHIS-RIYZIHGNSA-N 0 0 417.215 4.019 50 5 HIBARN Cc1ccc(-n2c3nc4ccccc4nc3c3c2ncn(Cc2ccco2)c3=O)cc1 ZINC000002313868 569372963 /nfs/dbraw/zinc/37/29/63/569372963.db2.gz OJNJGTZIKFGJMP-UHFFFAOYSA-N 0 0 407.433 4.233 50 5 HIBARN Cc1ccccc1-c1nc2c(c(=O)c3ccccc3n2C)c(=O)n1-c1ccc(F)cc1 ZINC000002328559 569375518 /nfs/dbraw/zinc/37/55/18/569375518.db2.gz CTBPDIWQOOVGOW-UHFFFAOYSA-N 0 0 411.436 4.352 50 5 HIBARN Nc1nc(SCC(=O)c2ccc([N+](=O)[O-])cc2)nc2sc3c(c21)CCCC3 ZINC000002346366 569379293 /nfs/dbraw/zinc/37/92/93/569379293.db2.gz OTHZIVHPSLINBP-UHFFFAOYSA-N 0 0 400.485 4.036 50 5 HIBARN CN(C(=S)Nc1ccc([N+](=O)[O-])cc1)[C@H]1c2c(ccc3ccccc32)OC[C@H]1CO ZINC000008855484 569390488 /nfs/dbraw/zinc/39/04/88/569390488.db2.gz WTSAGNHTKZEFEY-QVKFZJNVSA-N 0 0 423.494 4.119 50 5 HIBARN O=C(CSc1nnc(-c2cccc(Br)c2)o1)c1ccc([N+](=O)[O-])cc1 ZINC000008837058 569390497 /nfs/dbraw/zinc/39/04/97/569390497.db2.gz DJBQYQHDKDPMIA-UHFFFAOYSA-N 0 0 420.244 4.382 50 5 HIBARN Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(-c2cc3ccccc3o2)n1C ZINC000009260892 569392104 /nfs/dbraw/zinc/39/21/04/569392104.db2.gz BWDRXRJBBWHRQZ-UHFFFAOYSA-N 0 0 423.454 4.176 50 5 HIBARN Cc1ccc(S(=O)(=O)/C=C/CSc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000009614773 569393703 /nfs/dbraw/zinc/39/37/03/569393703.db2.gz HCCIKLWRUJVSAV-SWGQDTFXSA-N 0 0 417.468 4.033 50 5 HIBARN COc1cc(/C=C/c2ccc3cccc(OC(C)=O)c3n2)cc([N+](=O)[O-])c1OC(C)=O ZINC000012380042 569400613 /nfs/dbraw/zinc/40/06/13/569400613.db2.gz QHODNIQXUVWFHX-VQHVLOKHSA-N 0 0 422.393 4.173 50 5 HIBARN Cc1ccc(S(=O)(=O)N2C/C(=C\c3ccccc3)c3c2cc([N+](=O)[O-])cc3N)cc1 ZINC000012461809 569401476 /nfs/dbraw/zinc/40/14/76/569401476.db2.gz ATOQOZDDZOBDSX-GZTJUZNOSA-N 0 0 421.478 4.235 50 5 HIBARN Cc1nn(CC(=O)Nc2ccc(Oc3ccccc3Cl)cc2)c(C)c1[N+](=O)[O-] ZINC000012797202 569403674 /nfs/dbraw/zinc/40/36/74/569403674.db2.gz MLPNWSPASAUQEX-UHFFFAOYSA-N 0 0 400.822 4.493 50 5 HIBARN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000012973521 569405523 /nfs/dbraw/zinc/40/55/23/569405523.db2.gz FYYXKIOKULPOKJ-AWEZNQCLSA-N 0 0 417.512 4.081 50 5 HIBARN O=C(c1ccco1)N1N=C(c2cccc([N+](=O)[O-])c2)C[C@@H]1c1ccc2nccnc2c1 ZINC000012981292 569405690 /nfs/dbraw/zinc/40/56/90/569405690.db2.gz RBCXLNFEOWIBRU-HXUWFJFHSA-N 0 0 413.393 4.123 50 5 HIBARN Cc1cc(C(=O)N2Cc3cc4c(cc3C3(CCCC3)C2)OCCO4)ccc1[N+](=O)[O-] ZINC000012992905 569406004 /nfs/dbraw/zinc/40/60/04/569406004.db2.gz BUUAJCPXUJNAED-UHFFFAOYSA-N 0 0 408.454 4.142 50 5 HIBARN CCc1ccc(-c2nc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)n[nH]2)cc1 ZINC000013102074 569409046 /nfs/dbraw/zinc/40/90/46/569409046.db2.gz YZAQPFPPMLOSCT-UHFFFAOYSA-N 0 0 417.878 4.327 50 5 HIBARN COc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(OCCOc2ccccc2)c1 ZINC000008563488 571082130 /nfs/dbraw/zinc/08/21/30/571082130.db2.gz JBNFEJYQUZVHIW-UHFFFAOYSA-N 0 0 408.410 4.314 50 5 HIBARN O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 ZINC000040073741 571153871 /nfs/dbraw/zinc/15/38/71/571153871.db2.gz ZVLQZTBBUGHUNI-INIZCTEOSA-N 0 0 408.241 4.145 50 5 HIBARN COc1cc(-c2nnc(SCc3cccc([N+](=O)[O-])c3C)o2)cc(OC)c1OC ZINC000040127212 571179031 /nfs/dbraw/zinc/17/90/31/571179031.db2.gz HYZVWCMXCXBXNS-UHFFFAOYSA-N 0 0 417.443 4.271 50 5 HIBARN Cc1c(F)cc(C(=O)N(C[C@H]2CCCO2)c2nc3ccccc3s2)cc1[N+](=O)[O-] ZINC000040140412 571191575 /nfs/dbraw/zinc/19/15/75/571191575.db2.gz MOHPHEMFAXYIGW-CQSZACIVSA-N 0 0 415.446 4.478 50 5 HIBARN O=[N+]([O-])c1cccc(-c2nccn2C[C@H](O)COc2c(Cl)cccc2Cl)c1 ZINC000040158406 571204927 /nfs/dbraw/zinc/20/49/27/571204927.db2.gz GDXGRUNUIIFIAV-AWEZNQCLSA-N 0 0 408.241 4.205 50 5 HIBARN C[C@@H]1CC[C@H]2C(=O)N(c3ccc(N(C)CCc4ccccc4)c([N+](=O)[O-])c3)C(=O)[C@H]2C1 ZINC000245343707 571226278 /nfs/dbraw/zinc/22/62/78/571226278.db2.gz XMXOMVKWEQWXIG-AHRSYUTCSA-N 0 0 421.497 4.199 50 5 HIBARN O=C(Nc1ncc2c(n1)C[C@@H](c1ccc(Cl)cc1)CC2=O)c1ccc([N+](=O)[O-])cc1 ZINC000009185607 571234939 /nfs/dbraw/zinc/23/49/39/571234939.db2.gz LSROVNQGDVRQPQ-CQSZACIVSA-N 0 0 422.828 4.203 50 5 HIBARN Cc1cc(Cl)ccc1OCc1nnc(SCC(=O)c2cccc([N+](=O)[O-])c2)o1 ZINC000009226307 571239041 /nfs/dbraw/zinc/23/90/41/571239041.db2.gz VXPYHQDHLDNXJB-UHFFFAOYSA-N 0 0 419.846 4.494 50 5 HIBARN Cc1ccc(NC(=O)c2c(N)c(C(=O)c3ccc([N+](=O)[O-])cc3)n3ccccc23)cc1 ZINC000009316516 571247542 /nfs/dbraw/zinc/24/75/42/571247542.db2.gz ISBDASKFTJGQON-UHFFFAOYSA-N 0 0 414.421 4.221 50 5 HIBARN O=c1c([N+](=O)[O-])c(NC[C@@H](O)c2ccccc2)c2ccccc2n1-c1ccccc1 ZINC000009328448 571248480 /nfs/dbraw/zinc/24/84/80/571248480.db2.gz RCCGXRLSEKSUER-HXUWFJFHSA-N 0 0 401.422 4.044 50 5 HIBARN CC1=C(C(=O)Nc2cccc([N+](=O)[O-])c2)[C@H](c2ccc(Cl)cc2Cl)NC(=O)N1 ZINC000009373107 571252478 /nfs/dbraw/zinc/25/24/78/571252478.db2.gz TWBOTCZKHDIMFM-INIZCTEOSA-N 0 0 421.240 4.168 50 5 HIBARN O=C(COc1cccnc1[N+](=O)[O-])Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000009512015 571264232 /nfs/dbraw/zinc/26/42/32/571264232.db2.gz BKXPJZYBBOEIRQ-UHFFFAOYSA-N 0 0 409.242 4.045 50 5 HIBARN O=C(CCC(=O)c1ccc(Cl)cc1)OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000009665498 571278025 /nfs/dbraw/zinc/27/80/25/571278025.db2.gz IWFBIXQSOSLOFK-UHFFFAOYSA-N 0 0 415.789 4.005 50 5 HIBARN O=C(Nc1ccccc1C(F)(F)F)c1cccn(Cc2cccc([N+](=O)[O-])c2)c1=O ZINC000010187806 571296169 /nfs/dbraw/zinc/29/61/69/571296169.db2.gz QWBGYXORFPPYEH-UHFFFAOYSA-N 0 0 417.343 4.076 50 5 HIBARN O=C(Nc1cccc(C(F)(F)F)c1)c1cccn(Cc2cccc([N+](=O)[O-])c2)c1=O ZINC000010187807 571296178 /nfs/dbraw/zinc/29/61/78/571296178.db2.gz HPZOBRBKPXLQRA-UHFFFAOYSA-N 0 0 417.343 4.076 50 5 HIBARN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(=O)n(Cc2ccc(Cl)cc2)c1 ZINC000010187867 571296277 /nfs/dbraw/zinc/29/62/77/571296277.db2.gz GVQGXSCBWSRDQZ-UHFFFAOYSA-N 0 0 418.236 4.364 50 5 HIBARN COc1ccc(Cl)cc1C(=O)NC(=S)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000001172363 845002195 /nfs/dbraw/zinc/00/21/95/845002195.db2.gz XBPAPVSEYAMGQQ-UHFFFAOYSA-N 0 0 400.243 4.037 50 5 HIBARN C[C@@H](OC(=O)/C=C/c1cccc(C(F)(F)F)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000003237421 845011473 /nfs/dbraw/zinc/01/14/73/845011473.db2.gz IGLNQLTUYMGKDB-IDVQTMNDSA-N 0 0 408.332 4.197 50 5 HIBARN CN(c1ccc(O)cc1)c1cc(N(C)c2ccc(O)cc2)c([N+](=O)[O-])c2nonc21 ZINC000004420865 845056882 /nfs/dbraw/zinc/05/68/82/845056882.db2.gz IESZCQHOZZYWFS-UHFFFAOYSA-N 0 0 407.386 4.078 50 5 HIBARN Cn1c(SCC(=O)C23CC4CC(CC(C4)C2)C3)nnc1-c1cccc([N+](=O)[O-])c1 ZINC000007871176 845437158 /nfs/dbraw/zinc/43/71/58/845437158.db2.gz PDNJCPACJAEPFP-UHFFFAOYSA-N 0 0 412.515 4.268 50 5 HIBARN O=C(NCc1ccc(F)cc1)c1nnc(/C(Cl)=C/c2cccc([N+](=O)[O-])c2)s1 ZINC000012985113 845900631 /nfs/dbraw/zinc/90/06/31/845900631.db2.gz HRHYMHVZVQVQMC-DHDCSXOGSA-N 0 0 418.837 4.252 50 5 HIBARN C[C@H](Nc1cc(N2CCN(C(=O)c3ccco3)CC2)ccc1[N+](=O)[O-])c1ccccc1 ZINC000004092208 132271039 /nfs/dbraw/zinc/27/10/39/132271039.db2.gz PQKHKKYXMWZPAU-KRWDZBQOSA-N 0 0 420.469 4.323 50 5 HIBARN Cc1ccc2[nH]c3c(cc(N4CCOCC4)c4c(=O)c5ccccc5c(=O)c34)oc2c1 ZINC000004456056 132277118 /nfs/dbraw/zinc/27/71/18/132277118.db2.gz LLGZBZRMIQGJQW-UHFFFAOYSA-N 0 0 412.445 4.086 50 5 HIBARN COc1cccc(NC(=O)c2ccc(N3CCc4ccccc4C3)c([N+](=O)[O-])c2)c1 ZINC000004668241 132281627 /nfs/dbraw/zinc/28/16/27/132281627.db2.gz BYZSLGCSCPFELE-UHFFFAOYSA-N 0 0 403.438 4.418 50 5 HIBARN COc1cc(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)c(OC)cc1Cl ZINC000008307861 132329339 /nfs/dbraw/zinc/32/93/39/132329339.db2.gz GDJQAVYWTIDTQI-UHFFFAOYSA-N 0 0 419.865 4.121 50 5 HIBARN O=[N+]([O-])c1ccc(N2CCN(Cc3cccc(C(F)(F)F)c3)CC2)c2ncccc12 ZINC000012528062 132361889 /nfs/dbraw/zinc/36/18/89/132361889.db2.gz PUKVQXZLVWQZRT-UHFFFAOYSA-N 0 0 416.403 4.484 50 5 HIBARN COc1ccc(OC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cc1 ZINC000021336252 132472405 /nfs/dbraw/zinc/47/24/05/132472405.db2.gz YDXIXKJYRIYMQI-UHFFFAOYSA-N 0 0 424.375 4.444 50 5 HIBARN CCOC(=O)CSc1ncc(-c2cccc([N+](=O)[O-])c2)n1-c1ccc(F)cc1 ZINC000044087123 520814049 /nfs/dbraw/zinc/81/40/49/520814049.db2.gz CIHMWPZTSCRBOZ-UHFFFAOYSA-N 0 0 401.419 4.242 50 5 HIBARN Cc1cc(C)nc(SCC(=O)OCc2cc(=O)oc3ccc4ccccc4c23)n1 ZINC000007778218 524600294 /nfs/dbraw/zinc/60/02/94/524600294.db2.gz YYZAGHFFLCXCPN-UHFFFAOYSA-N 0 0 406.463 4.189 50 5 HIBARN Cc1ccc(S(=O)(=O)C2(C(=O)Nc3cc([N+](=O)[O-])ccc3C)CCCC2)cc1C ZINC000045344048 525486227 /nfs/dbraw/zinc/48/62/27/525486227.db2.gz MOQLNKQFQHHXEU-UHFFFAOYSA-N 0 0 416.499 4.245 50 5 HIBARN O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 ZINC000010545507 557443267 /nfs/dbraw/zinc/44/32/67/557443267.db2.gz IUYJHOFYKKGVCA-OAHLLOKOSA-N 0 0 405.458 4.065 50 5 HIBARN C[C@@H](OC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000011029098 558691313 /nfs/dbraw/zinc/69/13/13/558691313.db2.gz CTWITJIDGZKKIR-SECBINFHSA-N 0 0 416.739 4.451 50 5 HIBARN O=C(Nc1ccc([N+](=O)[O-])cc1)N[C@@]1(C(F)(F)F)Oc2ccc(Cl)cc2O1 ZINC000004574994 558750774 /nfs/dbraw/zinc/75/07/74/558750774.db2.gz LPKGSWWTELYSIC-HNNXBMFYSA-N 0 0 403.700 4.057 50 5 HIBARN Cc1cc([N+](=O)[O-])ccc1-c1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2)o1 ZINC000001208401 558776036 /nfs/dbraw/zinc/77/60/36/558776036.db2.gz CPXDBMAIPWOZON-UHFFFAOYSA-N 0 0 407.426 4.252 50 5 HIBARN Cc1csc(Sc2ccc(C(=O)NC[C@H](CCO)CC(C)C)cc2[N+](=O)[O-])n1 ZINC000072311637 558788512 /nfs/dbraw/zinc/78/85/12/558788512.db2.gz JRVNJJWKXRTYMK-CQSZACIVSA-N 0 0 423.560 4.285 50 5 HIBARN O=C(COc1ccc([N+](=O)[O-])cc1)N(Cc1ccco1)Cc1ccc(Cl)cc1 ZINC000016749838 558804469 /nfs/dbraw/zinc/80/44/69/558804469.db2.gz IHSCIXVZBKJPSW-UHFFFAOYSA-N 0 0 400.818 4.449 50 5 HIBARN Cc1cc([N+](=O)[O-])ccc1NC(=O)c1cc(I)ccc1Cl ZINC000013602483 558846598 /nfs/dbraw/zinc/84/65/98/558846598.db2.gz XYDOFKLCZQTGOL-UHFFFAOYSA-N 0 0 416.602 4.414 50 5 HIBARN Cc1cc(C(=O)N2CCC[C@H]2C(=O)Nc2ccc(Cl)cc2Cl)ccc1[N+](=O)[O-] ZINC000033094181 558872585 /nfs/dbraw/zinc/87/25/85/558872585.db2.gz PMMILZWHEKSNDD-KRWDZBQOSA-N 0 0 422.268 4.453 50 5 HIBARN CCN(Cc1ccccc1)c1ccc(N2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1[N+](=O)[O-] ZINC000004683615 558894678 /nfs/dbraw/zinc/89/46/78/558894678.db2.gz QGDVAZWUIJYXRH-OALUTQOASA-N 0 0 407.470 4.301 50 5 HIBARN CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C)nnc1-c1ccc(C)cc1 ZINC000004690791 558900324 /nfs/dbraw/zinc/90/03/24/558900324.db2.gz ACEJNRGDMFYHDA-UHFFFAOYSA-N 0 0 411.487 4.221 50 5 HIBARN CCN1C(=O)S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C1=O ZINC000004695165 558900773 /nfs/dbraw/zinc/90/07/73/558900773.db2.gz RBKMPVBXWCRVQQ-WOJGMQOQSA-N 0 0 414.439 4.239 50 5 HIBARN COc1ccc(C(=O)N(Cc2nc(-c3ccc(C)cc3)no2)C(C)C)cc1[N+](=O)[O-] ZINC000013957833 559011250 /nfs/dbraw/zinc/01/12/50/559011250.db2.gz JFTRIRTYBXXQNZ-UHFFFAOYSA-N 0 0 410.430 4.013 50 5 HIBARN COc1ccc2[nH]c3c(c2c1)CCN(C(=O)c1ccco1)[C@H]3c1ccc([N+](=O)[O-])cc1 ZINC000004751424 559048910 /nfs/dbraw/zinc/04/89/10/559048910.db2.gz XFRIDSFTLUHJFU-QFIPXVFZSA-N 0 0 417.421 4.466 50 5 HIBARN Cc1ccc(C(=O)N2CCC[C@H](C(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)C2)cc1 ZINC000046432896 559129729 /nfs/dbraw/zinc/12/97/29/559129729.db2.gz UJBULYOHAMEEQE-HNNXBMFYSA-N 0 0 401.850 4.048 50 5 HIBARN O=c1c2ccccc2nc(/C=C/c2ccc3c(c2)OCO3)n1-c1ccccc1[N+](=O)[O-] ZINC000004837622 559166622 /nfs/dbraw/zinc/16/66/22/559166622.db2.gz DWIMETYAEAWWIB-ZRDIBKRKSA-N 0 0 413.389 4.193 50 5 HIBARN O=c1c([N+](=O)[O-])c(Oc2ccc3cc(Br)ccc3c2)nc2ccccn12 ZINC000024057248 559189153 /nfs/dbraw/zinc/18/91/53/559189153.db2.gz BILQVYDHWVDPBF-UHFFFAOYSA-N 0 0 412.199 4.311 50 5 HIBARN CC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccccc3[N+](=O)[O-])C(=O)[C@H]12 ZINC000004851727 559190912 /nfs/dbraw/zinc/19/09/12/559190912.db2.gz HTPGJUNMOFOBDJ-LQDNNDEMSA-N 0 0 410.429 4.166 50 5 HIBARN CSc1nnc2c(n1)O[C@H](c1cc([N+](=O)[O-])ccc1Cl)Nc1ccccc1-2 ZINC000004881906 559196634 /nfs/dbraw/zinc/19/66/34/559196634.db2.gz YMUTXGSDVQOTNS-OAHLLOKOSA-N 0 0 401.835 4.325 50 5 HIBARN CCCCOc1ccc([C@H](C)Nc2c([N+](=O)[O-])nn(-c3ccccc3C)[n+]2[O-])cc1 ZINC000004971349 559220518 /nfs/dbraw/zinc/22/05/18/559220518.db2.gz MGBUROCDVGDVAV-INIZCTEOSA-N 0 0 411.462 4.074 50 5 HIBARN O=C1c2ccccc2C(=O)N1CCCn1c2ccccc2c2nc3ccccc3nc21 ZINC000005014097 559228312 /nfs/dbraw/zinc/22/83/12/559228312.db2.gz YODGKQGZEVQTQW-UHFFFAOYSA-N 0 0 406.445 4.424 50 5 HIBARN CC[C@H](NC(=O)OC(C)(C)C)C(=O)Oc1ccc2c3ccccc3c(=O)oc2c1C ZINC000005047216 559236796 /nfs/dbraw/zinc/23/67/96/559236796.db2.gz LETWEAXAGULODP-KRWDZBQOSA-N 0 0 411.454 4.463 50 5 HIBARN Cc1cccc(C(=O)N[C@H](Oc2ccccc2[N+](=O)[O-])C(Cl)(Cl)Cl)c1 ZINC000005091963 559243430 /nfs/dbraw/zinc/24/34/30/559243430.db2.gz WFGUNFOHHSHTJP-OAHLLOKOSA-N 0 0 403.649 4.408 50 5 HIBARN CCN(CC)c1cc(Nc2ccc(Br)cc2)c([N+](=O)[O-])c2nonc21 ZINC000005092647 559244083 /nfs/dbraw/zinc/24/40/83/559244083.db2.gz IZZHSPGCNJVEFT-UHFFFAOYSA-N 0 0 406.240 4.483 50 5 HIBARN Cc1ccc2c(c1)[C@H](c1ccccc1)N(C(=O)c1cccc([N+](=O)[O-])c1)CC(=O)N2 ZINC000005125426 559248153 /nfs/dbraw/zinc/24/81/53/559248153.db2.gz QMQFDKQSPKYSSS-QFIPXVFZSA-N 0 0 401.422 4.087 50 5 HIBARN O=C(/C=C/c1ccccc1[N+](=O)[O-])Nc1ccc(-c2nnc3n2CCCCC3)cc1 ZINC000003270014 560591096 /nfs/dbraw/zinc/59/10/96/560591096.db2.gz LWJLUPLNHPDVFV-SDNWHVSQSA-N 0 0 403.442 4.232 50 5 HIBARN O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000017640320 560720776 /nfs/dbraw/zinc/72/07/76/560720776.db2.gz PWLXNLUKVBOWIU-UHFFFAOYSA-N 0 0 406.373 4.213 50 5 HIBARN O=C1[C@@H]2CCCC[C@@H]2C(=O)N1c1ccc(NCCc2cccc(F)c2)c([N+](=O)[O-])c1 ZINC000102781039 560827381 /nfs/dbraw/zinc/82/73/81/560827381.db2.gz BYAUVGZKPBXTBC-HDICACEKSA-N 0 0 411.433 4.068 50 5 HIBARN O=C(c1ccccc1)c1ccc(NCC[C@@H]2C(=O)Nc3ccccc32)c([N+](=O)[O-])c1 ZINC000102916946 560835463 /nfs/dbraw/zinc/83/54/63/560835463.db2.gz KORMIRMXDVXAJJ-SFHVURJKSA-N 0 0 401.422 4.364 50 5 HIBARN O=C1Nc2ccc([N+](=O)[O-])cc2[C@]12Oc1ccccc1[C@H]1CC(c3cccs3)=NN12 ZINC000105972859 560878011 /nfs/dbraw/zinc/87/80/11/560878011.db2.gz IWEQWAKBZQGQIZ-UTKZUKDTSA-N 0 0 418.434 4.005 50 5 HIBARN COc1cc(NC(=O)c2cc3nc(-c4ccc(F)cc4)cc(C)n3n2)cc([N+](=O)[O-])c1 ZINC000000649645 568456628 /nfs/dbraw/zinc/45/66/28/568456628.db2.gz VSRJJGXPGLVMBD-UHFFFAOYSA-N 0 0 421.388 4.013 50 5 HIBARN O=C(Nc1ccn(Cc2ccccc2)n1)c1ccc(COc2ccc([N+](=O)[O-])cc2)o1 ZINC000000652762 568457660 /nfs/dbraw/zinc/45/76/60/568457660.db2.gz BVHVJVLYRAFAIX-UHFFFAOYSA-N 0 0 418.409 4.264 50 5 HIBARN O=C(Nc1cc(OCC(F)(F)F)cc([N+](=O)[O-])c1)c1ccccc1OC(F)F ZINC000000654384 568457937 /nfs/dbraw/zinc/45/79/37/568457937.db2.gz MRVPGJCESCWDNW-UHFFFAOYSA-N 0 0 406.263 4.390 50 5 HIBARN COc1cc2c(cc1OC)[C@@H](c1cccc([N+](=O)[O-])c1)N(C(=O)c1ccccc1)CC2 ZINC000000716119 568464685 /nfs/dbraw/zinc/46/46/85/568464685.db2.gz LWUJDEMKGYHFRZ-HSZRJFAPSA-N 0 0 418.449 4.400 50 5 HIBARN C[C@]12C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@H]1C1c3ccccc3C2c2ccccc21 ZINC000000726994 568466199 /nfs/dbraw/zinc/46/61/99/568466199.db2.gz SPXYTUUSOLDXHY-FEIQLAPHSA-N 0 0 410.429 4.382 50 5 HIBARN C[C@H](Sc1nc(CN2CCOCC2)nc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000024878251 568473648 /nfs/dbraw/zinc/47/36/48/568473648.db2.gz IMPZSYXYBIJZIX-HNNXBMFYSA-N 0 0 410.499 4.224 50 5 HIBARN C[C@@H](Sc1nc(CN2CCOCC2)nc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000024878245 568473721 /nfs/dbraw/zinc/47/37/21/568473721.db2.gz IMPZSYXYBIJZIX-OAHLLOKOSA-N 0 0 410.499 4.224 50 5 HIBARN Cc1nn(Cc2ccc(C(=O)NCc3ccc(Cl)cc3Cl)o2)c(C)c1[N+](=O)[O-] ZINC000000800695 568483825 /nfs/dbraw/zinc/48/38/25/568483825.db2.gz DWBIUQQQEGADCZ-UHFFFAOYSA-N 0 0 423.256 4.286 50 5 HIBARN O=C(Nc1ccccc1I)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000000834109 568501543 /nfs/dbraw/zinc/50/15/43/568501543.db2.gz MDBOJNOSBIUHPB-UHFFFAOYSA-N 0 0 402.575 4.105 50 5 HIBARN O=C(/C=C/c1ccccc1)N[C@@H](Oc1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)Cl ZINC000000836579 568501692 /nfs/dbraw/zinc/50/16/92/568501692.db2.gz QLTSWPBDCQQXQQ-RFKZRZAASA-N 0 0 415.660 4.500 50 5 HIBARN Cc1c(C(=O)N2CCc3ccccc3C2)sc2nc(-c3cccc([N+](=O)[O-])c3)cn12 ZINC000020280105 568596683 /nfs/dbraw/zinc/59/66/83/568596683.db2.gz YMBZUIAPKKKJFU-UHFFFAOYSA-N 0 0 418.478 4.478 50 5 HIBARN O=C(CSc1ccsc1[N+](=O)[O-])Nc1c(F)cc(F)cc1Br ZINC000020388774 568603976 /nfs/dbraw/zinc/60/39/76/568603976.db2.gz BXORYPINULHMLN-UHFFFAOYSA-N 0 0 409.233 4.428 50 5 HIBARN CCC(=O)OCCNc1cc(Sc2ccc(Cl)cc2)c2nonc2c1[N+](=O)[O-] ZINC000020684536 568640377 /nfs/dbraw/zinc/64/03/77/568640377.db2.gz SISRGUOAAMGZND-UHFFFAOYSA-N 0 0 422.850 4.301 50 5 HIBARN Cc1ccc(N2C(=O)c3cc(Nc4ccc5c(c4)OCO5)c([N+](=O)[O-])cc3C2=O)cc1 ZINC000020760110 568642241 /nfs/dbraw/zinc/64/22/41/568642241.db2.gz CRHLKQDQNSEIRR-UHFFFAOYSA-N 0 0 417.377 4.176 50 5 HIBARN NC(=O)c1ccc(SCC(=O)N(Cc2ccccc2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000021195621 568680634 /nfs/dbraw/zinc/68/06/34/568680634.db2.gz YSTUCVROAVDAAD-UHFFFAOYSA-N 0 0 421.478 4.019 50 5 HIBARN CCCN(CCc1nc(-c2cccc([N+](=O)[O-])c2)no1)C(=O)/C=C/c1ccccc1 ZINC000096277156 568715795 /nfs/dbraw/zinc/71/57/95/568715795.db2.gz OEYLICADWHDFAY-VAWYXSNFSA-N 0 0 406.442 4.139 50 5 HIBARN Cc1cc(NC(=O)c2ccc([N+](=O)[O-])o2)n(-c2nc(-c3ccc(F)cc3)cs2)n1 ZINC000012442076 568724576 /nfs/dbraw/zinc/72/45/76/568724576.db2.gz IFCYPLDOUMCWLE-UHFFFAOYSA-N 0 0 413.390 4.197 50 5 HIBARN COc1ccc(C(=O)NC(=S)Nc2cccc(Cl)c2Cl)cc1[N+](=O)[O-] ZINC000000882000 568736685 /nfs/dbraw/zinc/73/66/85/568736685.db2.gz SLRNKAKPBCSJEX-UHFFFAOYSA-N 0 0 400.243 4.037 50 5 HIBARN CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3ccc([N+](=O)[O-])cc3)c2C(N)=O)C1 ZINC000000921012 568750566 /nfs/dbraw/zinc/75/05/66/568750566.db2.gz RCXSBEKBQYBBEU-GFCCVEGCSA-N 0 0 401.488 4.159 50 5 HIBARN O=C1c2cc([N+](=O)[O-])ccc2-c2c1c(F)c(F)c(N1C(=O)c3ccccc3C1=O)c2F ZINC000000970888 568759186 /nfs/dbraw/zinc/75/91/86/568759186.db2.gz MTDNBOMJLISFGL-UHFFFAOYSA-N 0 0 424.290 4.024 50 5 HIBARN O=C(Oc1c2cccc3c2n(c(=O)c1-c1ccccc1)CC3)c1cccc([N+](=O)[O-])c1 ZINC000001035703 568764066 /nfs/dbraw/zinc/76/40/66/568764066.db2.gz VSNVBXRWSQTAIL-UHFFFAOYSA-N 0 0 412.401 4.352 50 5 HIBARN CC(C)NC(=O)c1ccccc1Sc1ccc([N+](=O)[O-])cc1C(=O)NC(C)C ZINC000001044024 568764596 /nfs/dbraw/zinc/76/45/96/568764596.db2.gz IHBJWATXWXFQMM-UHFFFAOYSA-N 0 0 401.488 4.022 50 5 HIBARN CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(Br)cc2C)cc1OC ZINC000019358316 568764864 /nfs/dbraw/zinc/76/48/64/568764864.db2.gz JASCHNIEYUHHAZ-UHFFFAOYSA-N 0 0 409.236 4.325 50 5 HIBARN COc1ccc([C@H](NC(=O)c2cccc([N+](=O)[O-])c2Br)C2CC2)cc1 ZINC000097236715 568770189 /nfs/dbraw/zinc/77/01/89/568770189.db2.gz AIKFCFYKGBQDDH-QGZVFWFLSA-N 0 0 405.248 4.247 50 5 HIBARN O=C(Nc1ccccc1Cl)c1ccccc1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000001135956 568773325 /nfs/dbraw/zinc/77/33/25/568773325.db2.gz UABSNGCIBUDLIT-UHFFFAOYSA-N 0 0 416.842 4.333 50 5 HIBARN Cc1ccc(C(=O)OCc2ccc([N+](=O)[O-])cc2)cc1N1C(=O)c2ccccc2C1=O ZINC000001136142 568773517 /nfs/dbraw/zinc/77/35/17/568773517.db2.gz QZSWHQRPIKUEGB-UHFFFAOYSA-N 0 0 416.389 4.061 50 5 HIBARN O=C(Nc1cc(C(F)(F)F)ccc1OC[C@H]1CCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000001154645 568774254 /nfs/dbraw/zinc/77/42/54/568774254.db2.gz PDPANQSBJIEZHQ-OAHLLOKOSA-N 0 0 410.348 4.424 50 5 HIBARN CCOC(=O)c1cc(C(=O)c2ccc([N+](=O)[O-])cc2)n2c1ccc1cc(OC)ccc12 ZINC000002532656 568780749 /nfs/dbraw/zinc/78/07/49/568780749.db2.gz JBPDYRHNUWMSLJ-UHFFFAOYSA-N 0 0 418.405 4.417 50 5 HIBARN O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1ccc(-c2nnc3n2CCCCC3)cc1 ZINC000002628530 568790051 /nfs/dbraw/zinc/79/00/51/568790051.db2.gz XZWZPJWYBKMOBC-UHFFFAOYSA-N 0 0 423.498 4.311 50 5 HIBARN COc1ccccc1N(Cc1cccc([N+](=O)[O-])c1)S(=O)(=O)c1cccs1 ZINC000002646295 568795145 /nfs/dbraw/zinc/79/51/45/568795145.db2.gz MKZCAXGFKNQPFE-UHFFFAOYSA-N 0 0 404.469 4.060 50 5 HIBARN O=C1c2oc3ccc(F)cc3c(=O)c2[C@H](c2ccc([N+](=O)[O-])cc2)N1c1nccs1 ZINC000002850909 568813012 /nfs/dbraw/zinc/81/30/12/568813012.db2.gz GWQMMGLZZKCDFX-INIZCTEOSA-N 0 0 423.381 4.047 50 5 HIBARN CCc1c(C)sc(NC(=S)Nc2cc([N+](=O)[O-])ccc2OC)c1C(=O)OC ZINC000002858711 568813336 /nfs/dbraw/zinc/81/33/36/568813336.db2.gz FLCKSJBLXNKNPL-UHFFFAOYSA-N 0 0 409.489 4.131 50 5 HIBARN O=[N+]([O-])c1cc(C(F)(F)F)ccc1Sc1nnc(CCCO)n1-c1ccccc1 ZINC000002863189 568813546 /nfs/dbraw/zinc/81/35/46/568813546.db2.gz JLUWXTDPYMPSNT-UHFFFAOYSA-N 0 0 424.404 4.270 50 5 HIBARN COc1ccc(NC(=O)c2ccccc2NC(=O)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000002876656 568813923 /nfs/dbraw/zinc/81/39/23/568813923.db2.gz ITFVBAFCXNVNBG-UHFFFAOYSA-N 0 0 405.410 4.416 50 5 HIBARN COc1ccc(NC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1 ZINC000002876921 568813983 /nfs/dbraw/zinc/81/39/83/568813983.db2.gz JWEGQELURSJZPO-UHFFFAOYSA-N 0 0 405.410 4.416 50 5 HIBARN COc1ccc(C(=O)COc2ccccc2C(=O)Nc2ccccc2)cc1[N+](=O)[O-] ZINC000002880713 568814268 /nfs/dbraw/zinc/81/42/68/568814268.db2.gz SMHGMZLJMBLEOX-UHFFFAOYSA-N 0 0 406.394 4.117 50 5 HIBARN CCOc1ccc(Oc2ccc(Cl)cc2NC(=O)Cn2cnc([N+](=O)[O-])c2)cc1 ZINC000025586740 568822538 /nfs/dbraw/zinc/82/25/38/568822538.db2.gz KWNICCBESNAVIZ-UHFFFAOYSA-N 0 0 416.821 4.274 50 5 HIBARN Cc1cccc(N2C(=O)c3ccc(C(=O)c4ccc([N+](=O)[O-])cc4)cc3C2=O)c1C ZINC000001197796 568822710 /nfs/dbraw/zinc/82/27/10/568822710.db2.gz BMJBGBUMYXZATO-UHFFFAOYSA-N 0 0 400.390 4.243 50 5 HIBARN O=C(Nc1ccc(Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1)c1cccc([N+](=O)[O-])c1 ZINC000137061776 568827727 /nfs/dbraw/zinc/82/77/27/568827727.db2.gz JMZJZXLEVTYMAH-UHFFFAOYSA-N 0 0 423.341 4.407 50 5 HIBARN COc1ccccc1-c1nc2cc(C)ccn2c1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000034912638 568832548 /nfs/dbraw/zinc/83/25/48/568832548.db2.gz GOSJHZOCZJMENS-UHFFFAOYSA-N 0 0 402.410 4.479 50 5 HIBARN COc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nc(-c2ccccc2)cs1 ZINC000005971997 568833184 /nfs/dbraw/zinc/83/31/84/568833184.db2.gz PWMMYFPGBUDYJO-UHFFFAOYSA-N 0 0 401.469 4.458 50 5 HIBARN NC(=O)c1c(NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)sc2c1CCCC2 ZINC000002997965 568836146 /nfs/dbraw/zinc/83/61/46/568836146.db2.gz MFJLGENVSCEPPK-UHFFFAOYSA-N 0 0 411.439 4.146 50 5 HIBARN O=C1c2cccc([N+](=O)[O-])c2C(=O)N1c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000003099963 568854635 /nfs/dbraw/zinc/85/46/35/568854635.db2.gz ZNTPQCQENXCASE-UHFFFAOYSA-N 0 0 421.390 4.455 50 5 HIBARN O=C(OCCSCc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccc(Cl)cc1 ZINC000003127594 568856881 /nfs/dbraw/zinc/85/68/81/568856881.db2.gz VZJUBPAQRMHOAE-UHFFFAOYSA-N 0 0 409.847 4.205 50 5 HIBARN O=[N+]([O-])c1ccc(Sc2nnc(-c3cccc(Br)c3)o2)c([N+](=O)[O-])c1 ZINC000003251636 568867690 /nfs/dbraw/zinc/86/76/90/568867690.db2.gz PSDVGNCQDHKWQF-UHFFFAOYSA-N 0 0 423.204 4.467 50 5 HIBARN COc1ccc(-c2csc(NC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)n2)cc1C ZINC000003260340 568868977 /nfs/dbraw/zinc/86/89/77/568868977.db2.gz NHMGNMOAYLBSLX-UHFFFAOYSA-N 0 0 414.399 4.196 50 5 HIBARN CC(C)[C@H](NC(=O)c1ccco1)C(=O)OCc1cc(=O)oc2ccc3ccccc3c12 ZINC000003295427 568874748 /nfs/dbraw/zinc/87/47/48/568874748.db2.gz HLMAKGPRQBQPCN-QFIPXVFZSA-N 0 0 419.433 4.037 50 5 HIBARN Cc1ccccc1N[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)Cl ZINC000001232863 568880952 /nfs/dbraw/zinc/88/09/52/568880952.db2.gz XTLONIBWUAJJAK-HNNXBMFYSA-N 0 0 402.665 4.441 50 5 HIBARN Cc1cccn2c(=O)c3cc(C(=O)Nc4ccc([N+](=O)[O-])cc4Cl)sc3nc12 ZINC000015441516 568886125 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405.233 4.128 50 5 HIBARN COc1ccc(-c2csc(NC(=O)Nc3ccc([N+](=O)[O-])cc3)n2)cc1OC ZINC000004079343 568938858 /nfs/dbraw/zinc/93/88/58/568938858.db2.gz MDODDXOLEOSWFV-UHFFFAOYSA-N 0 0 400.416 4.380 50 5 HIBARN COc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCc2sccc2[C@H]1c1ccccc1 ZINC000012762897 568946791 /nfs/dbraw/zinc/94/67/91/568946791.db2.gz OTHDGVJWFHRKIU-JOCHJYFZSA-N 0 0 423.494 4.251 50 5 HIBARN C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)C1CCN(c2nc3ccccc3o2)CC1 ZINC000012777203 568955513 /nfs/dbraw/zinc/95/55/13/568955513.db2.gz PGWNFAIMEQIGFY-HNNXBMFYSA-N 0 0 408.458 4.172 50 5 HIBARN COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nc2ccccc2n1CC(C)C ZINC000004265590 568956054 /nfs/dbraw/zinc/95/60/54/568956054.db2.gz ODTUVFKUJLOGEC-UHFFFAOYSA-N 0 0 414.487 4.340 50 5 HIBARN Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000008009729 568968023 /nfs/dbraw/zinc/96/80/23/568968023.db2.gz DOUKTYSTTGUILN-UHFFFAOYSA-N 0 0 419.485 4.244 50 5 HIBARN C[C@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(Cc2ccc(-c3ccccc3)cc2)C1=O ZINC000004307581 568977884 /nfs/dbraw/zinc/97/78/84/568977884.db2.gz ICWCCGBYKJFJIB-HSZRJFAPSA-N 0 0 401.422 4.229 50 5 HIBARN Cc1cc(C)cc(NC(=O)C2=C(C)NC(=O)N[C@@H]2c2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000008335621 568993168 /nfs/dbraw/zinc/99/31/68/568993168.db2.gz WFKUUPKBVRTSEO-GOSISDBHSA-N 0 0 414.849 4.132 50 5 HIBARN COc1ccc2nc3sc(C(=O)Nc4ccc(OC)cc4[N+](=O)[O-])c(N)c3cc2c1 ZINC000006176801 569017506 /nfs/dbraw/zinc/01/75/06/569017506.db2.gz NJNVQYSTAWZCLR-UHFFFAOYSA-N 0 0 424.438 4.209 50 5 HIBARN COc1ccc(N2C(=O)c3ccc(Oc4ccccc4OC)cc3C2=O)c([N+](=O)[O-])c1 ZINC000016156086 569029456 /nfs/dbraw/zinc/02/94/56/569029456.db2.gz YFYRHBUNEHWJDW-UHFFFAOYSA-N 0 0 420.377 4.205 50 5 HIBARN O=C(/C=C\c1cn(-c2ccccc2)nc1-c1cccc([N+](=O)[O-])c1)N1CCCCC1 ZINC000016214175 569029936 /nfs/dbraw/zinc/02/99/36/569029936.db2.gz BFJVTOYUEVSYHS-SEYXRHQNSA-N 0 0 402.454 4.473 50 5 HIBARN Cc1nc(-c2ccc(CNC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)o2)cs1 ZINC000016297937 569030996 /nfs/dbraw/zinc/03/09/96/569030996.db2.gz MDODAUOMRDZISY-UHFFFAOYSA-N 0 0 412.471 4.150 50 5 HIBARN Cc1ccccc1-n1nnnc1[C@H](c1ccccc1)N(C)Cc1cccc([N+](=O)[O-])c1 ZINC000035337445 569033046 /nfs/dbraw/zinc/03/30/46/569033046.db2.gz FJJDHSGTEYWKLS-QFIPXVFZSA-N 0 0 414.469 4.100 50 5 HIBARN Cc1cccc(Oc2ccc(NC(=O)CCNC(=O)c3ccc([N+](=O)[O-])cc3)cc2)c1 ZINC000006261112 569036025 /nfs/dbraw/zinc/03/60/25/569036025.db2.gz IQUXODSFNFEPMC-UHFFFAOYSA-N 0 0 419.437 4.454 50 5 HIBARN CCCn1c(Sc2ncc([N+](=O)[O-])c(NC3CC3)n2)nnc1-c1cccc(C)c1 ZINC000026699265 569053259 /nfs/dbraw/zinc/05/32/59/569053259.db2.gz NAAKKVQOMQPCIT-UHFFFAOYSA-N 0 0 411.491 4.087 50 5 HIBARN O=C(Nc1cc2c(cc1Cl)OCCCO2)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000026983301 569065123 /nfs/dbraw/zinc/06/51/23/569065123.db2.gz PXAHDSUGTFFILZ-UHFFFAOYSA-N 0 0 403.822 4.236 50 5 HIBARN Cc1cc(C(=O)O[C@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c(C)o1 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Cn1c2ccccc2c(=O)c2c(=O)n(-c3ccc(F)cc3)c(-c3ccccc3F)nc21 ZINC000002231328 569319761 /nfs/dbraw/zinc/31/97/61/569319761.db2.gz JHMMOGXVFMMIQM-UHFFFAOYSA-N 0 0 415.399 4.183 50 5 HIBARN COc1ccccc1Cn1c2ncn(CC(C)C)c(=O)c2c2nc3ccccc3nc21 ZINC000002255317 569326178 /nfs/dbraw/zinc/32/61/78/569326178.db2.gz INNAYCLEZCMOOX-UHFFFAOYSA-N 0 0 413.481 4.007 50 5 HIBARN COc1ccc(Br)cc1/C=C1\N=C(c2cc(C)ccc2[N+](=O)[O-])OC1=O ZINC000027519824 569328152 /nfs/dbraw/zinc/32/81/52/569328152.db2.gz USCHIAGHGUWUGR-ZROIWOOFSA-N 0 0 417.215 4.019 50 5 HIBARN O=C(COc1ccc([N+](=O)[O-])cc1)Nc1cccc(-c2nnc(-c3ccccc3)o2)c1 ZINC000002367963 569385854 /nfs/dbraw/zinc/38/58/54/569385854.db2.gz CQKPGRZDBMWYSN-UHFFFAOYSA-N 0 0 416.393 4.329 50 5 HIBARN COc1ccc(NC(=O)COc2ccc(Br)cc2Cl)c([N+](=O)[O-])c1 ZINC000009434439 569392794 /nfs/dbraw/zinc/39/27/94/569392794.db2.gz IBSWVXFQDSOOKC-UHFFFAOYSA-N 0 0 415.627 4.037 50 5 HIBARN O=[N+]([O-])c1cc(-c2nnc(CSc3cccc4cccnc43)o2)cc([N+](=O)[O-])c1 ZINC000012375248 569400477 /nfs/dbraw/zinc/40/04/77/569400477.db2.gz FGSPHWCYBMOTBC-UHFFFAOYSA-N 0 0 409.383 4.394 50 5 HIBARN O=C(c1ccccc1)N1C[C@@H](COc2ccccc2)O[C@@H](c2cccc([N+](=O)[O-])c2)O1 ZINC000012375890 569400542 /nfs/dbraw/zinc/40/05/42/569400542.db2.gz WRNXVIGVCCGWAI-JTHBVZDNSA-N 0 0 420.421 4.145 50 5 HIBARN CCCNC(=O)/C(=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1)NC(=O)c1ccccc1 ZINC000012796850 569403439 /nfs/dbraw/zinc/40/34/39/569403439.db2.gz XXJNTOLXGRPXOD-XDJHFCHBSA-N 0 0 419.437 4.152 50 5 HIBARN O=C(Cc1csc(COc2ccc(Cl)cc2)n1)Nc1cccc([N+](=O)[O-])c1 ZINC000012997427 569406146 /nfs/dbraw/zinc/40/61/46/569406146.db2.gz GFHDUPVILZJJHN-UHFFFAOYSA-N 0 0 403.847 4.465 50 5 HIBARN C[C@H](OC(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000013070975 569408518 /nfs/dbraw/zinc/40/85/18/569408518.db2.gz CCUWNPFUNZCABM-VIFPVBQESA-N 0 0 416.739 4.451 50 5 HIBARN O=C(c1ccc(Sc2ccc(F)cc2)c([N+](=O)[O-])c1)N1CC(=O)Nc2ccccc21 ZINC000013131174 569409602 /nfs/dbraw/zinc/40/96/02/569409602.db2.gz VOHJPDOGHJJVCQ-UHFFFAOYSA-N 0 0 423.425 4.484 50 5 HIBARN COc1ccc([N+](=O)[O-])cc1NC(=O)CCCOc1ccc(Br)cc1 ZINC000013140856 569409715 /nfs/dbraw/zinc/40/97/15/569409715.db2.gz IUPXZXJMJMUDII-UHFFFAOYSA-N 0 0 409.236 4.164 50 5 HIBARN CCOc1ccccc1[C@@H](CC(C)C)Nc1ccc(S(=O)(=O)NC)cc1[N+](=O)[O-] ZINC000078967195 569422234 /nfs/dbraw/zinc/42/22/34/569422234.db2.gz GFBZOWUDXBKRIP-GOSISDBHSA-N 0 0 421.519 4.101 50 5 HIBARN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000079065651 569426486 /nfs/dbraw/zinc/42/64/86/569426486.db2.gz OERDHELDGFUPTO-UHFFFAOYSA-N 0 0 400.822 4.486 50 5 HIBARN O=C(COc1cccc([N+](=O)[O-])c1)Nc1ccc2[nH]c(-c3ccc(Cl)cn3)nc2c1 ZINC000079074232 569426975 /nfs/dbraw/zinc/42/69/75/569426975.db2.gz OFYKFGBGKQTQLB-UHFFFAOYSA-N 0 0 423.816 4.204 50 5 HIBARN C[C@@H](Oc1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-])c1ccccc1Cl ZINC000008490017 571056593 /nfs/dbraw/zinc/05/65/93/571056593.db2.gz WDVPWKWYPUGFGO-CYBMUJFWSA-N 0 0 410.879 4.173 50 5 HIBARN C[C@@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1C(=O)N1CCCCCC1 ZINC000008562421 571082082 /nfs/dbraw/zinc/08/20/82/571082082.db2.gz JGJQDJCKWSHPQM-MRXNPFEDSA-N 0 0 411.458 4.017 50 5 HIBARN Cc1sc(C(=O)Nc2ccccc2C(=O)N2C[C@H](C)C[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000040090875 571160944 /nfs/dbraw/zinc/16/09/44/571160944.db2.gz MWMICPSMQDVZSK-CHWSQXEVSA-N 0 0 401.488 4.335 50 5 HIBARN Cc1sc(C(=O)Nc2ccccc2C(=O)N2C[C@@H](C)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000040090874 571160974 /nfs/dbraw/zinc/16/09/74/571160974.db2.gz MWMICPSMQDVZSK-STQMWFEESA-N 0 0 401.488 4.335 50 5 HIBARN Cc1ccccc1NC(=O)c1c(N)c(C(=O)c2ccc([N+](=O)[O-])cc2)n2ccccc12 ZINC000009316462 571247472 /nfs/dbraw/zinc/24/74/72/571247472.db2.gz ITBJCRGJAHENHY-UHFFFAOYSA-N 0 0 414.421 4.221 50 5 HIBARN COc1cc(C(=S)N2CCCC2)ccc1OC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000009435027 571258709 /nfs/dbraw/zinc/25/87/09/571258709.db2.gz WCZMVDKXRGSRDN-UHFFFAOYSA-N 0 0 420.874 4.247 50 5 HIBARN Cc1ccc(C)c(-c2csc(NC(=O)CCNC(=O)c3ccc([N+](=O)[O-])cc3)n2)c1 ZINC000009507259 571263714 /nfs/dbraw/zinc/26/37/14/571263714.db2.gz KBOCXTGEBCXJLP-UHFFFAOYSA-N 0 0 424.482 4.094 50 5 HIBARN O=C(CCc1ncc(-c2ccccc2Cl)o1)NCCNc1ccccc1[N+](=O)[O-] ZINC000010085417 571294894 /nfs/dbraw/zinc/29/48/94/571294894.db2.gz MIGDVGIMVRSATM-UHFFFAOYSA-N 0 0 414.849 4.064 50 5 HIBARN O=C(Nc1ccc([N+](=O)[O-])cc1)c1cccn(Cc2cccc(C(F)(F)F)c2)c1=O ZINC000010187789 571296164 /nfs/dbraw/zinc/29/61/64/571296164.db2.gz QBGHZFGEJJTHJR-UHFFFAOYSA-N 0 0 417.343 4.076 50 5 HIBARN C[C@@H](c1ccccc1)N(C)C(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000010262397 571298704 /nfs/dbraw/zinc/29/87/04/571298704.db2.gz WILDUFWEOMFMIH-ZDUSSCGKSA-N 0 0 410.396 4.428 50 5 HIBARN COC(=O)c1cc(C(=O)N[C@H](c2cccs2)c2ccc(F)cc2)cc([N+](=O)[O-])c1 ZINC000010290918 571299393 /nfs/dbraw/zinc/29/93/93/571299393.db2.gz NRTPVEOBKXOVLK-SFHVURJKSA-N 0 0 414.414 4.101 50 5 HIBARN C[C@@H]1c2cc3c(cc2C2(CCCC2)CN1C(=O)c1ccc([N+](=O)[O-])cc1)OCCO3 ZINC000010367940 571301375 /nfs/dbraw/zinc/30/13/75/571301375.db2.gz JBUYFBPXGOBJKP-OAHLLOKOSA-N 0 0 408.454 4.395 50 5 HIBARN O=C(COC(=O)/C(=C/c1cccs1)c1cccs1)Nc1cccc([N+](=O)[O-])c1 ZINC000003244869 845010957 /nfs/dbraw/zinc/01/09/57/845010957.db2.gz JPTBHWWMPIMVEX-LFIBNONCSA-N 0 0 414.464 4.440 50 5 HIBARN O=[N+]([O-])c1cc(Cl)cc2c1O/C(=C/COc1ccc(F)cc1)[C@H]2N1CCOCC1 ZINC000025329541 846960097 /nfs/dbraw/zinc/96/00/97/846960097.db2.gz KIHQGFCXSHFASF-PQBYUGMKSA-N 0 0 420.824 4.116 50 5 HIBARN CC[C@H](C)N1Cc2cc(NC(=O)c3ccc([N+](=O)[O-])cc3)ccc2O[C@@H](CC)C1=O ZINC000035873744 848145674 /nfs/dbraw/zinc/14/56/74/848145674.db2.gz WBWXKNYEIDGJRB-LIRRHRJNSA-N 0 0 411.458 4.145 50 5 HIBARN O=C(/C=C\c1ccc([N+](=O)[O-])cc1)Nc1ccc(-c2nnc3n2CCCCC3)cc1 ZINC000097674654 852646712 /nfs/dbraw/zinc/64/67/12/852646712.db2.gz XEHQKGDRTDOTKJ-AUWJEWJLSA-N 0 0 403.442 4.232 50 5 HIBARN O=C(/C=C\c1cccc([N+](=O)[O-])c1)Nc1cc(-c2nnc3n2CCCCC3)ccc1F ZINC000098004182 852650041 /nfs/dbraw/zinc/65/00/41/852650041.db2.gz SQGFDQZLIGSBCP-FLIBITNWSA-N 0 0 421.432 4.371 50 5 HIBARN O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N(CCCO)Cc1ccc(Cl)c(Cl)c1 ZINC000098059489 852651950 /nfs/dbraw/zinc/65/19/50/852651950.db2.gz JAFPCCOULJQXCQ-UITAMQMPSA-N 0 0 409.269 4.326 50 5 HIBARN CCOC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)N[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000003437741 132266040 /nfs/dbraw/zinc/26/60/40/132266040.db2.gz DLLVPWXQBBOKDE-SFHVURJKSA-N 0 0 415.833 4.356 50 5 HIBARN O=C(c1ccc(N2CCCCC2)c([N+](=O)[O-])c1)N(c1ccccn1)c1ccccn1 ZINC000005526368 132306586 /nfs/dbraw/zinc/30/65/86/132306586.db2.gz RVQDLRCOOABWHR-UHFFFAOYSA-N 0 0 403.442 4.354 50 5 HIBARN CC(=O)Nc1ccc(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1Cl ZINC000012563389 132364286 /nfs/dbraw/zinc/36/42/86/132364286.db2.gz GVAIRDDAGZFEOF-UHFFFAOYSA-N 0 0 416.865 4.062 50 5 HIBARN O=C(NCc1ccc(C(F)(F)F)cc1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000012623622 132365297 /nfs/dbraw/zinc/36/52/97/132365297.db2.gz OLUIURYYMJXFPN-UHFFFAOYSA-N 0 0 407.392 4.146 50 5 HIBARN CC(C)c1ccc([C@H](NC(=O)Cn2c(=O)oc3ccc([N+](=O)[O-])cc32)C(C)C)cc1 ZINC000032765231 519840180 /nfs/dbraw/zinc/84/01/80/519840180.db2.gz RARFLYDLRNPNJO-OAQYLSRUSA-N 0 0 411.458 4.140 50 5 HIBARN Cc1nc(-c2ccc3c(c2)CCN3CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)cs1 ZINC000032858050 526580473 /nfs/dbraw/zinc/58/04/73/526580473.db2.gz QOPYNJZRJFEQDK-UHFFFAOYSA-N 0 0 408.483 4.052 50 5 HIBARN O=C1COc2ccc(Sc3c([N+](=O)[O-])cc(C(F)(F)F)cc3[N+](=O)[O-])cc2N1 ZINC000032829271 527015171 /nfs/dbraw/zinc/01/51/71/527015171.db2.gz QPUMHXKNSDYAHZ-UHFFFAOYSA-N 0 0 415.305 4.004 50 5 HIBARN O=C(Nc1ccccc1)[C@H]1CCCN(c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000032853574 527397193 /nfs/dbraw/zinc/39/71/93/527397193.db2.gz YBLBHSDHIRZVTI-ZDUSSCGKSA-N 0 0 404.264 4.212 50 5 HIBARN COc1cc(Br)ccc1-n1c(=O)c2ccccc2c2ccccc2c1=O ZINC000001132154 557198997 /nfs/dbraw/zinc/19/89/97/557198997.db2.gz IGXQSOHSKYZIOZ-UHFFFAOYSA-N 0 0 408.251 4.275 50 5 HIBARN CCCCn1c(=O)nc2n(-c3cccc(Br)c3)c3ccccc3cc-2c1=O ZINC000002124421 557316194 /nfs/dbraw/zinc/31/61/94/557316194.db2.gz JRGRFOJXOSLAER-UHFFFAOYSA-N 0 0 424.298 4.215 50 5 HIBARN O=c1ccccc2c(/C=C\c3ccc4c(c3)OCO4)nn(-c3ccc([N+](=O)[O-])cc3)c21 ZINC000097474711 557809392 /nfs/dbraw/zinc/80/93/92/557809392.db2.gz RDZPEWLVTZAPAT-WZUFQYTHSA-N 0 0 413.389 4.193 50 5 HIBARN O=C(Nc1ccccc1Oc1cccc(F)c1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000059920468 558612726 /nfs/dbraw/zinc/61/27/26/558612726.db2.gz GTPIHEXSGBGFAT-UHFFFAOYSA-N 0 0 419.372 4.359 50 5 HIBARN Cc1cc(C(=O)Nc2ccc(-c3csc(N4CCOCC4)n3)cc2)ccc1[N+](=O)[O-] ZINC000010970411 558622009 /nfs/dbraw/zinc/62/20/09/558622009.db2.gz HNIMKBCBNCZVAP-UHFFFAOYSA-N 0 0 424.482 4.116 50 5 HIBARN CC(=O)N(c1nc(COC(=O)c2cccc([N+](=O)[O-])c2)cs1)c1ccccc1F ZINC000011025700 558684254 /nfs/dbraw/zinc/68/42/54/558684254.db2.gz GKGJWGPZZZQBBE-UHFFFAOYSA-N 0 0 415.402 4.232 50 5 HIBARN Cc1ccc(NC(=O)c2cc(I)ccc2Cl)c([N+](=O)[O-])c1 ZINC000015746396 558751367 /nfs/dbraw/zinc/75/13/67/558751367.db2.gz 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Cc1cc([N+](=O)[O-])cc2c1NC(=O)C2(c1ccc(O)c(C)c1)c1ccc(O)c(C)c1 ZINC000004628332 558873731 /nfs/dbraw/zinc/87/37/31/558873731.db2.gz IGWBHQGNUSPMGY-UHFFFAOYSA-N 0 0 404.422 4.218 50 5 HIBARN Cc1ccc(NC(=O)C23C[C@H]4C[C@@H](C2)CC(n2cnc(Cl)n2)(C4)C3)cc1[N+](=O)[O-] ZINC000013882165 558889287 /nfs/dbraw/zinc/88/92/87/558889287.db2.gz YUKCPSYYJZSDEQ-LWYUSKRHSA-N 0 0 415.881 4.082 50 5 HIBARN Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1n[nH]c(-c2ccc(Cl)cc2)n1 ZINC000004715910 558914372 /nfs/dbraw/zinc/91/43/72/558914372.db2.gz DXSFGFOHWDSSFT-UHFFFAOYSA-N 0 0 403.851 4.073 50 5 HIBARN COc1ccc([C@H]2CCCCCN2C(=O)/C=C\c2cc3c(cc2[N+](=O)[O-])OCO3)cc1 ZINC000098000958 559016424 /nfs/dbraw/zinc/01/64/24/559016424.db2.gz MGDQOMQQACZJKD-SCEWNMGZSA-N 0 0 424.453 4.489 50 5 HIBARN COc1ccc(NC(=O)COc2cc(C)c(Br)cc2C)c([N+](=O)[O-])c1 ZINC000004833147 559163204 /nfs/dbraw/zinc/16/32/04/559163204.db2.gz LMIPYIDJTPRQHJ-UHFFFAOYSA-N 0 0 409.236 4.000 50 5 HIBARN COCCCNc1cc2oc3ccccc3[nH]c2c2c(=O)c3ccccc3c(=O)c12 ZINC000004844438 559179068 /nfs/dbraw/zinc/17/90/68/559179068.db2.gz SVPBZMYOMRQRHV-UHFFFAOYSA-N 0 0 400.434 4.389 50 5 HIBARN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](OC(=O)c1ccco1)c1ccccc1 ZINC000004947545 559214072 /nfs/dbraw/zinc/21/40/72/559214072.db2.gz BDBNDAGDORNMPJ-QGZVFWFLSA-N 0 0 400.774 4.378 50 5 HIBARN CCOc1ccc2nc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3F)sc2c1 ZINC000004966354 559218463 /nfs/dbraw/zinc/21/84/63/559218463.db2.gz GHMBQDZEFZWJLJ-UHFFFAOYSA-N 0 0 407.448 4.473 50 5 HIBARN O=C(c1ccccc1Br)N1CCN=C1SCc1cccc([N+](=O)[O-])c1 ZINC000011757754 559257721 /nfs/dbraw/zinc/25/77/21/559257721.db2.gz AKNQWGASCPBRKG-UHFFFAOYSA-N 0 0 420.288 4.103 50 5 HIBARN Cc1cccc(N2C(=O)c3oc4ccccc4c(=O)c3[C@@H]2c2cccc([N+](=O)[O-])c2)n1 ZINC000005180533 559289549 /nfs/dbraw/zinc/28/95/49/559289549.db2.gz JPCLUKWQWVIFDP-FQEVSTJZSA-N 0 0 413.389 4.154 50 5 HIBARN COc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)ccc1N1CCCCC1=O ZINC000005441548 560587631 /nfs/dbraw/zinc/58/76/31/560587631.db2.gz XBCPIGIIGIRHGK-UHFFFAOYSA-N 0 0 403.822 4.026 50 5 HIBARN COC(=O)c1cc(C(=O)Nc2nc(-c3ccccc3Cl)cs2)cc([N+](=O)[O-])c1 ZINC000003273600 560591126 /nfs/dbraw/zinc/59/11/26/560591126.db2.gz PJFXKJIWZGIKMU-UHFFFAOYSA-N 0 0 417.830 4.411 50 5 HIBARN CCOc1ccc(CNc2ncnc(NCc3cccc(OCC)c3)c2[N+](=O)[O-])cc1 ZINC000005336440 560625967 /nfs/dbraw/zinc/62/59/67/560625967.db2.gz KIHXAVHXDOUHLE-UHFFFAOYSA-N 0 0 423.473 4.406 50 5 HIBARN COc1ccc(-c2ccc(C=Cc3cc(C(F)(F)F)nc(=O)[nH]3)o2)c([N+](=O)[O-])c1 ZINC000005611087 560630556 /nfs/dbraw/zinc/63/05/56/560630556.db2.gz HUXFLCMLFDZFJS-NSCUHMNNSA-N 0 0 407.304 4.136 50 5 HIBARN CCOc1ccc(Nc2ccc(N3C(=O)[C@@H]4CCCC[C@@H]4C3=O)cc2[N+](=O)[O-])cc1 ZINC000102784046 560827433 /nfs/dbraw/zinc/82/74/33/560827433.db2.gz KYVTVPBZRKAVCI-HDICACEKSA-N 0 0 409.442 4.417 50 5 HIBARN COC(=O)c1cc([N+](=O)[O-])c(C(=O)OC)cc1Oc1ccc(Cl)cc1Cl ZINC000000802069 568484294 /nfs/dbraw/zinc/48/42/94/568484294.db2.gz FHIUPXYTCWJITB-UHFFFAOYSA-N 0 0 400.170 4.267 50 5 HIBARN CCOc1ccc(C(=O)Nc2cccc(-c3nc4ncccc4o3)c2)cc1[N+](=O)[O-] ZINC000000817486 568490135 /nfs/dbraw/zinc/49/01/35/568490135.db2.gz ZZVDZXAIRLLBBK-UHFFFAOYSA-N 0 0 404.382 4.449 50 5 HIBARN O=C(CSc1nc2ccccc2o1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000005777489 568514046 /nfs/dbraw/zinc/51/40/46/568514046.db2.gz KHOSOCZVSNSWGV-UHFFFAOYSA-N 0 0 408.233 4.229 50 5 HIBARN C[C@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)c2ccccc21 ZINC000095364936 568602109 /nfs/dbraw/zinc/60/21/09/568602109.db2.gz USMJFMDBSFRJDF-NSHDSACASA-N 0 0 411.277 4.060 50 5 HIBARN COc1cc([N+](=O)[O-])ccc1NC(=O)Nc1nnc(N(CC(C)C)CC(C)C)s1 ZINC000020464589 568610177 /nfs/dbraw/zinc/61/01/77/568610177.db2.gz PPGLQEXRQWBKSO-UHFFFAOYSA-N 0 0 422.511 4.217 50 5 HIBARN O=C1c2cccc3c(Br)c([N+](=O)[O-])cc(c23)C(=O)N1c1cccc(O)c1 ZINC000095470818 568626361 /nfs/dbraw/zinc/62/63/61/568626361.db2.gz VYNHDSOKAGIYAI-UHFFFAOYSA-N 0 0 413.183 4.017 50 5 HIBARN CCCn1c(Cn2ccnc2C)nc2cc(NC(=O)c3ccccc3[N+](=O)[O-])ccc21 ZINC000020893249 568648347 /nfs/dbraw/zinc/64/83/47/568648347.db2.gz OFDIHDNLNNNDJB-UHFFFAOYSA-N 0 0 418.457 4.160 50 5 HIBARN O=[N+]([O-])c1cc(-c2nc(-c3ccco3)no2)ccc1N1CCN(c2ccccc2)CC1 ZINC000020898114 568649389 /nfs/dbraw/zinc/64/93/89/568649389.db2.gz ZUYYWLBLWMSSSG-UHFFFAOYSA-N 0 0 417.425 4.231 50 5 HIBARN COc1c(Cl)cc(Cl)cc1[C@@H]1OC(c2ccc([N+](=O)[O-])cc2)=NN1C(C)=O ZINC000020946004 568653483 /nfs/dbraw/zinc/65/34/83/568653483.db2.gz RKOFWHZWMHABPH-KRWDZBQOSA-N 0 0 410.213 4.149 50 5 HIBARN C[C@@H]1CN([C@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)C[C@@H](C)O1 ZINC000021130851 568670225 /nfs/dbraw/zinc/67/02/25/568670225.db2.gz VFUIPPGONZCIQD-LPMFXHHGSA-N 0 0 403.866 4.037 50 5 HIBARN CC[C@@H](C)[C@H](NC(=O)CCc1ccccc1)c1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000096277245 568715830 /nfs/dbraw/zinc/71/58/30/568715830.db2.gz AVGZELIGVWHKQP-QRWLVFNGSA-N 0 0 408.458 4.481 50 5 HIBARN CC[C@H](C)[C@H](NC(=O)COCc1ccccc1)c1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000096277257 568715894 /nfs/dbraw/zinc/71/58/94/568715894.db2.gz FCHVGXPUIGOJHG-YWZLYKJASA-N 0 0 424.457 4.065 50 5 HIBARN O=C(c1ccco1)N(CCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)Cc1ccccc1 ZINC000096277876 568716440 /nfs/dbraw/zinc/71/64/40/568716440.db2.gz IJWBGPOAZSGKKH-UHFFFAOYSA-N 0 0 418.409 4.123 50 5 HIBARN O=C(C[C@@H](c1c[nH]c2ccccc21)c1ccc([N+](=O)[O-])cc1)NCCc1ccccn1 ZINC000096278180 568716600 /nfs/dbraw/zinc/71/66/00/568716600.db2.gz NRCKGVOGOWEHIH-OAQYLSRUSA-N 0 0 414.465 4.352 50 5 HIBARN O=C(CSc1nnc(COc2ccc(Cl)cc2)o1)c1cccc([N+](=O)[O-])c1 ZINC000015019004 568743456 /nfs/dbraw/zinc/74/34/56/568743456.db2.gz KXZQXZPTHIQSLJ-UHFFFAOYSA-N 0 0 405.819 4.185 50 5 HIBARN COc1ccc(-c2c(N)n(-c3ccccc3)c(=O)c3cc([N+](=O)[O-])ccc32)cc1OC ZINC000001036933 568764126 /nfs/dbraw/zinc/76/41/26/568764126.db2.gz QJFJAUYXAFDZNE-UHFFFAOYSA-N 0 0 417.421 4.165 50 5 HIBARN Cc1ccc(C)c(N2C(=O)[C@@H]3[C@H](C2=O)C2([N+](=O)[O-])c4ccccc4C3c3ccccc32)c1 ZINC000001072309 568768295 /nfs/dbraw/zinc/76/82/95/568768295.db2.gz HYTQEWLPIKHJJG-FGEXJBCWSA-N 0 0 424.456 4.088 50 5 HIBARN Cc1cccc(NC(=O)c2ccccc2NC(=O)COc2cccc([N+](=O)[O-])c2)c1C ZINC000001110021 568768762 /nfs/dbraw/zinc/76/87/62/568768762.db2.gz ORSMGYXYWPEFNK-UHFFFAOYSA-N 0 0 419.437 4.481 50 5 HIBARN COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2nccs2)cc1[N+](=O)[O-] ZINC000001109573 568768799 /nfs/dbraw/zinc/76/87/99/568768799.db2.gz KDFUJEKXQWQFLQ-UHFFFAOYSA-N 0 0 421.438 4.165 50 5 HIBARN COC(=O)c1c(NC(=O)Cc2ccc([N+](=O)[O-])cc2)sc2c1CCCCCC2 ZINC000001116671 568770784 /nfs/dbraw/zinc/77/07/84/568770784.db2.gz YJWGHENEOJKZIA-UHFFFAOYSA-N 0 0 402.472 4.283 50 5 HIBARN O=C(c1ccc([N+](=O)[O-])cc1)n1nc(-c2ccc(Cl)cc2)nc1NCc1ccco1 ZINC000001119932 568770910 /nfs/dbraw/zinc/77/09/10/568770910.db2.gz SBHBJPFSFXQKFM-UHFFFAOYSA-N 0 0 423.816 4.400 50 5 HIBARN Cc1c(C(=O)OCC(=O)c2ccc(OC(=O)c3ccccc3)cc2)cccc1[N+](=O)[O-] ZINC000001120657 568771129 /nfs/dbraw/zinc/77/11/29/568771129.db2.gz QMNYGUDCDJUBPI-UHFFFAOYSA-N 0 0 419.389 4.162 50 5 HIBARN O=c1c2c(nc(SCc3ccc([N+](=O)[O-])cc3)n1-c1ccc(F)cc1)CCS2 ZINC000002459504 568771515 /nfs/dbraw/zinc/77/15/15/568771515.db2.gz DTKBXIFJXLQWKQ-UHFFFAOYSA-N 0 0 415.471 4.220 50 5 HIBARN O=C(CSc1nccn1-c1ccc([N+](=O)[O-])cc1)Nc1nc2ccccc2s1 ZINC000002468354 568772828 /nfs/dbraw/zinc/77/28/28/568772828.db2.gz MBOLRIJPCZJPSH-UHFFFAOYSA-N 0 0 411.468 4.121 50 5 HIBARN COc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccc(Cl)cc1Br ZINC000001131669 568773090 /nfs/dbraw/zinc/77/30/90/568773090.db2.gz MZHXXNVUXMNMKL-UHFFFAOYSA-N 0 0 415.627 4.037 50 5 HIBARN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC(c2nc3ccccc3s2)CC1 ZINC000027950852 568774137 /nfs/dbraw/zinc/77/41/37/568774137.db2.gz ZZUIDFXGZWJNIJ-UHFFFAOYSA-N 0 0 417.512 4.081 50 5 HIBARN C[C@@H](OC(=O)c1ccc(F)cc1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000002660425 568798877 /nfs/dbraw/zinc/79/88/77/568798877.db2.gz HSEJVUWTLUZHKK-LLVKDONJSA-N 0 0 415.402 4.041 50 5 aggregator HIBARN CCCNC(=O)/C(=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)NC(=O)c1ccccc1 ZINC000002677458 568800491 /nfs/dbraw/zinc/80/04/91/568800491.db2.gz XXJNTOLXGRPXOD-CYVLTUHYSA-N 0 0 419.437 4.152 50 5 HIBARN O=C(Nc1ccc(F)c([N+](=O)[O-])c1)N[C@@]1(C(F)(F)F)Oc2ccc(Cl)cc2O1 ZINC000002725319 568803795 /nfs/dbraw/zinc/80/37/95/568803795.db2.gz WQFAZHKDMXMVIF-HNNXBMFYSA-N 0 0 421.690 4.196 50 5 HIBARN Cc1cc(OCc2ccc(-c3nc4c5ccccc5ncn4n3)o2)ccc1[N+](=O)[O-] ZINC000002806391 568811036 /nfs/dbraw/zinc/81/10/36/568811036.db2.gz DKUVULVWZGACLY-UHFFFAOYSA-N 0 0 401.382 4.333 50 5 HIBARN CCn1c(SCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)nnc1-c1cccc(C)c1 ZINC000002837781 568812616 /nfs/dbraw/zinc/81/26/16/568812616.db2.gz UCNCULCBBKCGMT-UHFFFAOYSA-N 0 0 411.487 4.221 50 5 HIBARN O=C(Nc1ccccc1Cl)c1cc(I)cc([N+](=O)[O-])c1 ZINC000002852957 568813138 /nfs/dbraw/zinc/81/31/38/568813138.db2.gz CRLJXRZDDMVYIG-UHFFFAOYSA-N 0 0 402.575 4.105 50 5 HIBARN CNc1ccc(C(=O)c2ccccc2C(=O)N(C)Cc2cccs2)cc1[N+](=O)[O-] ZINC000029002832 568814878 /nfs/dbraw/zinc/81/48/78/568814878.db2.gz HWELIHBBUOCSTG-UHFFFAOYSA-N 0 0 409.467 4.201 50 5 HIBARN CCOP(=O)(OCC)c1nc(-c2cccc([N+](=O)[O-])c2)oc1N1CCCCC1 ZINC000002908159 568815298 /nfs/dbraw/zinc/81/52/98/568815298.db2.gz GVGLFTUMXIJPKX-UHFFFAOYSA-N 0 0 409.379 4.132 50 5 HIBARN CCCSc1nnc2c(n1)O[C@@H](/C=C/c1ccc([N+](=O)[O-])o1)Nc1ccccc1-2 ZINC000002911455 568815629 /nfs/dbraw/zinc/81/56/29/568815629.db2.gz GVIRNCIBRXILOL-HEWZJLJBSA-N 0 0 411.443 4.386 50 5 HIBARN Cc1ccc(N(C(=O)c2ccccc2[N+](=O)[O-])S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000001177324 568819071 /nfs/dbraw/zinc/81/90/71/568819071.db2.gz OQWOSSBRBQANBL-UHFFFAOYSA-N 0 0 410.451 4.247 50 5 HIBARN O=C(c1cccn2c(=O)c3cc(Cl)ccc3nc12)N1CC=C(c2ccccc2)CC1 ZINC000002957371 568829887 /nfs/dbraw/zinc/82/98/87/568829887.db2.gz PWTZZEAVAPRCLD-UHFFFAOYSA-N 0 0 415.880 4.431 50 5 HIBARN COc1ccccc1-c1nc2ccc(C)cn2c1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000034912688 568832576 /nfs/dbraw/zinc/83/25/76/568832576.db2.gz PDIPOLFDLQSJEA-UHFFFAOYSA-N 0 0 402.410 4.479 50 5 HIBARN Cc1ccc(C)c(NC(=O)CCCC(=O)OCC(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000002985624 568833177 /nfs/dbraw/zinc/83/31/77/568833177.db2.gz XFVDVIQVGJBMII-UHFFFAOYSA-N 0 0 412.442 4.055 50 5 HIBARN CCOc1ccc(/C=C2\N=C(c3ccc([N+](=O)[O-])cc3Cl)OC2=O)cc1OCC ZINC000001810759 568836986 /nfs/dbraw/zinc/83/69/86/568836986.db2.gz ASDBZWVWPKCGIG-SXGWCWSVSA-N 0 0 416.817 4.390 50 5 HIBARN O=C1[C@@H]2CCCC[C@@H]2C(=O)N1c1ccc(N2CCC[C@H]3CCCC[C@H]32)c([N+](=O)[O-])c1 ZINC000230093353 568841108 /nfs/dbraw/zinc/84/11/08/568841108.db2.gz ZNEMNLWIYRCNIS-OQIJWPOYSA-N 0 0 411.502 4.433 50 5 HIBARN Cc1ccc(N2C(=O)c3ccc(C(=O)c4ccc([N+](=O)[O-])cc4)cc3C2=O)cc1C ZINC000003150494 568858436 /nfs/dbraw/zinc/85/84/36/568858436.db2.gz UXNFWBOOCSGDSD-UHFFFAOYSA-N 0 0 400.390 4.243 50 5 HIBARN CCOc1cc2c(cc1N[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)O[C@H](C)C2 ZINC000012562547 568858916 /nfs/dbraw/zinc/85/89/16/568858916.db2.gz MXECPFYVBMSFJU-VXGBXAGGSA-N 0 0 419.865 4.409 50 5 HIBARN CNc1ccc(C(=O)NCc2ccc(-c3nc4ccccc4s3)o2)cc1[N+](=O)[O-] ZINC000012564721 568859833 /nfs/dbraw/zinc/85/98/33/568859833.db2.gz ZHOJWTAUSGCVCH-UHFFFAOYSA-N 0 0 408.439 4.436 50 5 HIBARN CCc1nc2ccccc2c(C(=O)O[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)c1C ZINC000003229202 568864628 /nfs/dbraw/zinc/86/46/28/568864628.db2.gz SXNQAEJSSSMEDT-CQSZACIVSA-N 0 0 407.426 4.198 50 5 HIBARN O=C(COC(=O)c1cc(Cl)ccc1[N+](=O)[O-])Nc1cccc(C(F)(F)F)c1 ZINC000003234491 568865345 /nfs/dbraw/zinc/86/53/45/568865345.db2.gz QSSPZRKEXJWLNL-UHFFFAOYSA-N 0 0 402.712 4.063 50 5 HIBARN O=C(Oc1ccc(Br)cc1Br)c1ccc([N+](=O)[O-])cc1 ZINC000001230032 568870913 /nfs/dbraw/zinc/87/09/13/568870913.db2.gz NPCGMGPQAPWHFA-UHFFFAOYSA-N 0 0 401.010 4.339 50 5 HIBARN CCc1noc(COC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2Cl)n1 ZINC000012606922 568871260 /nfs/dbraw/zinc/87/12/60/568871260.db2.gz GIQPYFHYSRCLKU-UHFFFAOYSA-N 0 0 416.821 4.163 50 5 HIBARN CC1=C(C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H](c2ccc(Cl)cc2Cl)NC(=O)N1 ZINC000012619835 568872486 /nfs/dbraw/zinc/87/24/86/568872486.db2.gz ZIRRNJYIGBQLQH-INIZCTEOSA-N 0 0 421.240 4.168 50 5 HIBARN COC(=O)c1cc(CN(C)C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)oc1C ZINC000058046184 568880277 /nfs/dbraw/zinc/88/02/77/568880277.db2.gz CFIAUDIOZATUTQ-UHFFFAOYSA-N 0 0 424.409 4.347 50 5 HIBARN Cc1ccc(N[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2)C(Cl)(Cl)Cl)cc1 ZINC000001232864 568880895 /nfs/dbraw/zinc/88/08/95/568880895.db2.gz PRFGKAPGPVDBRI-OAHLLOKOSA-N 0 0 402.665 4.441 50 5 HIBARN COc1cc(Cl)c(C)cc1NC(=O)COC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000003337835 568883132 /nfs/dbraw/zinc/88/31/32/568883132.db2.gz OWDLKRKLTGLYBF-UHFFFAOYSA-N 0 0 413.213 4.014 50 5 HIBARN Cc1ccc(NC(=O)COc2ncnc3c(Cl)cc(Cl)cc23)cc1[N+](=O)[O-] ZINC000003340289 568883604 /nfs/dbraw/zinc/88/36/04/568883604.db2.gz PZKAKYOCTNPVBN-UHFFFAOYSA-N 0 0 407.213 4.171 50 5 HIBARN CCOc1ccc2oc(C(=O)OCc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)c(C)c2c1 ZINC000012639576 568884042 /nfs/dbraw/zinc/88/40/42/568884042.db2.gz XYQJQXRVSDPKOV-UHFFFAOYSA-N 0 0 423.381 4.455 50 5 HIBARN Cc1cccn2c(=O)c3cc(C(=O)Nc4cc(Cl)ccc4[N+](=O)[O-])sc3nc12 ZINC000015441519 568886084 /nfs/dbraw/zinc/88/60/84/568886084.db2.gz HGLKGOGZYJSMBA-UHFFFAOYSA-N 0 0 414.830 4.032 50 5 HIBARN O=C(COc1ncnc2cc([N+](=O)[O-])ccc21)Nc1ccccc1Oc1ccccc1 ZINC000003445058 568904533 /nfs/dbraw/zinc/90/45/33/568904533.db2.gz KSXYGVWMBWXQQY-UHFFFAOYSA-N 0 0 416.393 4.348 50 5 HIBARN COc1ccc(Nc2ccc(-c3nn(C)c(=O)c4ccccc43)cc2[N+](=O)[O-])cc1 ZINC000004003816 568932854 /nfs/dbraw/zinc/93/28/54/568932854.db2.gz OZKYQYOBCQIJPJ-UHFFFAOYSA-N 0 0 402.410 4.261 50 5 HIBARN COc1ccc(NC(=S)N2CCn3cccc3[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000004059442 568936955 /nfs/dbraw/zinc/93/69/55/568936955.db2.gz YAUQAKBSDBSFQJ-FQEVSTJZSA-N 0 0 408.483 4.207 50 5 HIBARN O=C1c2ccccc2N[C@H](c2cccn2-c2ccc([N+](=O)[O-])cc2)N1C[C@@H]1CCCO1 ZINC000015504214 568940116 /nfs/dbraw/zinc/94/01/16/568940116.db2.gz RKSSJYOOHYCKOB-AVRDEDQJSA-N 0 0 418.453 4.131 50 5 HIBARN CC(C)N(C(=O)c1cccc([N+](=O)[O-])c1)c1ccc(-n2nc3ccccc3n2)cc1 ZINC000001432128 568940784 /nfs/dbraw/zinc/94/07/84/568940784.db2.gz PGBXPSNQUVBRRL-UHFFFAOYSA-N 0 0 401.426 4.384 50 5 HIBARN O=C(c1cc(F)c(F)cc1Cl)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000008443391 569003211 /nfs/dbraw/zinc/00/32/11/569003211.db2.gz JYHXIQSZKGXGHA-UHFFFAOYSA-N 0 0 416.211 4.142 50 5 HIBARN C[C@@H](Nc1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-])c1cccc(S(N)(=O)=O)c1 ZINC000012875590 569013591 /nfs/dbraw/zinc/01/35/91/569013591.db2.gz UKMKJZPTFWVVOP-MRVPVSSYSA-N 0 0 423.800 4.088 50 5 HIBARN Cc1nn(-c2nc3ccc(C)cc3s2)c2c1[C@@H](c1ccccc1[N+](=O)[O-])CC(=O)N2 ZINC000015868293 569017022 /nfs/dbraw/zinc/01/70/22/569017022.db2.gz HFEJNTDLLHEJLA-CQSZACIVSA-N 0 0 419.466 4.481 50 5 HIBARN CC(C)n1ncc2cc(C(=O)Nc3nc(-c4cccc([N+](=O)[O-])c4)cs3)cnc21 ZINC000012901422 569020774 /nfs/dbraw/zinc/02/07/74/569020774.db2.gz GVWQWUIJQFDSCS-UHFFFAOYSA-N 0 0 408.443 4.296 50 5 HIBARN O=C(CN1CCc2sccc2[C@H]1c1ccccc1)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000012928139 569024032 /nfs/dbraw/zinc/02/40/32/569024032.db2.gz OAVPZGOCKCXLTE-OAQYLSRUSA-N 0 0 411.458 4.382 50 5 HIBARN O=C(CN1CCc2sccc2[C@@H]1c1ccccc1)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000012928135 569024056 /nfs/dbraw/zinc/02/40/56/569024056.db2.gz OAVPZGOCKCXLTE-NRFANRHFSA-N 0 0 411.458 4.382 50 5 HIBARN Cc1ccc(NC(=O)CCC(=O)OCc2ccc(Br)cc2)c([N+](=O)[O-])c1 ZINC000016247788 569030266 /nfs/dbraw/zinc/03/02/66/569030266.db2.gz WZIDHXYQTSKYSJ-UHFFFAOYSA-N 0 0 421.247 4.128 50 5 HIBARN Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\NC(=O)N(Cc3ccccc3F)C2=O)o1 ZINC000016265313 569030335 /nfs/dbraw/zinc/03/03/35/569030335.db2.gz ADZDALFTWZPTJJ-ODLFYWEKSA-N 0 0 421.384 4.395 50 5 HIBARN COc1cc([N+](=O)[O-])ccc1NC(=S)Nc1cccc(Cn2cc(Cl)cn2)c1 ZINC000016345765 569031628 /nfs/dbraw/zinc/03/16/28/569031628.db2.gz IWFFKQROHNPJFP-UHFFFAOYSA-N 0 0 417.878 4.311 50 5 HIBARN O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000001738930 569040046 /nfs/dbraw/zinc/04/00/46/569040046.db2.gz ZYQYDMAEGZCUPD-UHFFFAOYSA-N 0 0 406.354 4.008 50 5 HIBARN Cc1ccc(NC(=O)CCCCCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c(C)c1 ZINC000001807608 569053554 /nfs/dbraw/zinc/05/35/54/569053554.db2.gz SWOALQGGGRJGOI-UHFFFAOYSA-N 0 0 409.442 4.007 50 5 HIBARN Cn1cnnc1Sc1ccc(C(=O)Nc2cccc3ccccc32)cc1[N+](=O)[O-] ZINC000006552552 569065317 /nfs/dbraw/zinc/06/53/17/569065317.db2.gz CKEDPOCWNNACDY-UHFFFAOYSA-N 0 0 405.439 4.280 50 5 HIBARN O=C(Nc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(c1ccccc1)c1ccccc1 ZINC000006785534 569121681 /nfs/dbraw/zinc/12/16/81/569121681.db2.gz DGBGZCJJRZEFKQ-UHFFFAOYSA-N 0 0 400.394 4.415 50 5 HIBARN Cc1nc(-c2ccc3c(c2)CCN3C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)cs1 ZINC000036395178 569168654 /nfs/dbraw/zinc/16/86/54/569168654.db2.gz GIFOEDLAOAAXKK-UHFFFAOYSA-N 0 0 405.439 4.106 50 5 HIBARN Cc1cc(C)c(NC(=O)[C@@H](C)OC(=O)CCCNc2ccccc2[N+](=O)[O-])c(C)c1 ZINC000007372373 569235867 /nfs/dbraw/zinc/23/58/67/569235867.db2.gz HUIPDQOFAHIQRJ-QGZVFWFLSA-N 0 0 413.474 4.283 50 5 HIBARN O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)cc1NCC1CCN(c2ncccn2)CC1 ZINC000170618752 569247943 /nfs/dbraw/zinc/24/79/43/569247943.db2.gz 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O=C(N[C@@H](Cc1ccccc1)c1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1cccs1 ZINC000037380840 569295167 /nfs/dbraw/zinc/29/51/67/569295167.db2.gz WCSAJKMEBMMNTF-KRWDZBQOSA-N 0 0 420.450 4.420 50 5 HIBARN O=c1c2c3nc4ccccc4nc3n(-c3cccc(F)c3)c2ncn1Cc1ccccc1 ZINC000002217213 569311440 /nfs/dbraw/zinc/31/14/40/569311440.db2.gz CLKHEYAPENKAEX-UHFFFAOYSA-N 0 0 421.435 4.471 50 5 HIBARN COC(=O)c1c2nc3ccccc3nc2n2c1nc(O)c1c3c(sc12)C[C@@H](C)CC3 ZINC000002217991 569311638 /nfs/dbraw/zinc/31/16/38/569311638.db2.gz UEMURNRJPANFDT-JTQLQIEISA-N 0 0 418.478 4.262 50 5 HIBARN CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)cc1OC ZINC000007807837 569312102 /nfs/dbraw/zinc/31/21/02/569312102.db2.gz XUVDZCSDIFNTJI-ZHHULCEESA-N 0 0 402.491 4.337 50 5 HIBARN CCOc1ccc(/C=C2\N=C(c3cc([N+](=O)[O-])ccc3Cl)OC2=O)cc1OCC ZINC000002307821 569372700 /nfs/dbraw/zinc/37/27/00/569372700.db2.gz PFWQKCXWVNZORM-SXGWCWSVSA-N 0 0 416.817 4.390 50 5 HIBARN CCO[P@@](=O)(Oc1ccccc1)c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] 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COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CCCN(c2nc3ccccc3s2)C1 ZINC000040115190 571172963 /nfs/dbraw/zinc/17/29/63/571172963.db2.gz BJLIENOPTHTHRQ-CYBMUJFWSA-N 0 0 412.471 4.068 50 5 HIBARN O=[N+]([O-])c1cccc(OCCSc2nnc(COc3ccc(Cl)cc3)o2)c1 ZINC000040127358 571179010 /nfs/dbraw/zinc/17/90/10/571179010.db2.gz AVJYUAMHKSDREL-UHFFFAOYSA-N 0 0 407.835 4.381 50 5 HIBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CCCN(c2ncccc2C(F)(F)F)C1 ZINC000040130870 571182826 /nfs/dbraw/zinc/18/28/26/571182826.db2.gz KFHGSYUWSMKNRY-ZDUSSCGKSA-N 0 0 408.380 4.172 50 5 HIBARN O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1cc2ccccc2[nH]c1=O)C1CCCCC1 ZINC000009210531 571236860 /nfs/dbraw/zinc/23/68/60/571236860.db2.gz DFZGSZIEPVHVMJ-UHFFFAOYSA-N 0 0 405.454 4.411 50 5 HIBARN COc1ccc2c(c1)c1nc3ccccc3nc1n2CCS(=O)(=O)c1ccccc1 ZINC000009420218 571256811 /nfs/dbraw/zinc/25/68/11/571256811.db2.gz OYWVXWNYXJUNOB-UHFFFAOYSA-N 0 0 417.490 4.220 50 5 HIBARN Cc1[nH]nc2c1[C@H](c1ccccc1[N+](=O)[O-])N(c1ccc(Br)cc1)C2=O ZINC000009424392 571257674 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Cc1ccccc1C(=O)N1CCN(c2ccc([N+](=O)[O-])c(NCc3ccco3)c2)CC1 ZINC000004575230 132278942 /nfs/dbraw/zinc/27/89/42/132278942.db2.gz XKWUXJUEOYZLKW-UHFFFAOYSA-N 0 0 420.469 4.071 50 5 HIBARN Cc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(NC4CC4)c3)CC2)cc1Cl ZINC000004740990 132286703 /nfs/dbraw/zinc/28/67/03/132286703.db2.gz NBMZQHCERBTIMT-UHFFFAOYSA-N 0 0 414.893 4.093 50 5 HIBARN CN(Cc1nc2ccccc2s1)C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000008144527 132328019 /nfs/dbraw/zinc/32/80/19/132328019.db2.gz YRYGKFOZGQODKW-UHFFFAOYSA-N 0 0 410.499 4.080 50 5 HIBARN C[C@@H]1CCCN(c2ccc(C(=O)OCc3nnc(-c4ccccc4)o3)cc2[N+](=O)[O-])C1 ZINC000009662678 132342096 /nfs/dbraw/zinc/34/20/96/132342096.db2.gz JLLRNFFOYDOSSU-OAHLLOKOSA-N 0 0 422.441 4.238 50 5 HIBARN Cc1nc2ccc(Cl)cc2cc1C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000010053730 132344910 /nfs/dbraw/zinc/34/49/10/132344910.db2.gz BACNEZYWRGFGKL-UHFFFAOYSA-N 0 0 410.861 4.067 50 5 HIBARN O=C(N1CCN(c2ccc([N+](=O)[O-])c3cccnc32)CC1)C12CC3CC(CC(C3)C1)C2 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O=C1OC(c2ccccc2Br)=NC1=CNc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004507718 558621865 /nfs/dbraw/zinc/62/18/65/558621865.db2.gz ZZDPTFYHAOHQNU-JYRVWZFOSA-N 0 0 422.622 4.268 50 5 HIBARN O=C(c1cccc([N+](=O)[O-])c1)N1CCC(c2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000004560289 558727090 /nfs/dbraw/zinc/72/70/90/558727090.db2.gz QJSBEWQVJQYWHD-UHFFFAOYSA-N 0 0 412.833 4.318 50 5 HIBARN O=C1c2ccccc2N[C@@H](c2cccn2-c2ccc([N+](=O)[O-])cc2)N1C[C@H]1CCCO1 ZINC000015504220 558741735 /nfs/dbraw/zinc/74/17/35/558741735.db2.gz RKSSJYOOHYCKOB-XMSQKQJNSA-N 0 0 418.453 4.131 50 5 HIBARN CN(Cc1ccccc1)[C@H](NC(=O)c1ccccc1[N+](=O)[O-])C(Cl)(Cl)Cl ZINC000013562197 558843678 /nfs/dbraw/zinc/84/36/78/558843678.db2.gz OCDLRDGJEPIQQN-INIZCTEOSA-N 0 0 416.692 4.153 50 5 HIBARN COc1ccc(NC(=O)c2ccco2)cc1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000013608817 558847043 /nfs/dbraw/zinc/84/70/43/558847043.db2.gz OQEPYKPBGUAVSI-UHFFFAOYSA-N 0 0 415.789 4.354 50 5 HIBARN COc1ccc(-n2ccnc(SCc3ccc([N+](=O)[O-])cc3)c2=O)cc1Cl ZINC000033039802 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FCUNPMJTHQYIBW-UHFFFAOYSA-N 0 0 424.428 4.435 50 5 HIBARN Cc1ccc(C(=O)Nc2cccc(-c3nc4ccccc4c(=O)o3)c2)cc1[N+](=O)[O-] ZINC000004828727 559147430 /nfs/dbraw/zinc/14/74/30/559147430.db2.gz BJHIWPVXVCPBSW-UHFFFAOYSA-N 0 0 401.378 4.324 50 5 HIBARN O=C(/C=C\c1ccc(Cl)cc1Cl)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000033417355 559167741 /nfs/dbraw/zinc/16/77/41/559167741.db2.gz CWSUEDHDSFQEGV-WAPJZHGLSA-N 0 0 406.269 4.264 50 5 HIBARN O=[N+]([O-])c1ccc2c(c1Nc1ccc(Br)cc1)=NC1(CCCCC1)N=2 ZINC000100498693 559209893 /nfs/dbraw/zinc/20/98/93/559209893.db2.gz TUMLUXWJAQPPMX-UHFFFAOYSA-N 0 0 401.264 4.014 50 5 HIBARN Cc1cccc(NC(=O)/C(=C\c2ccccc2)NC(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000005061764 559239373 /nfs/dbraw/zinc/23/93/73/559239373.db2.gz PECKGECRJZFDDO-RCCKNPSSSA-N 0 0 401.422 4.313 50 5 HIBARN O=C(Nc1ccc(I)cc1Cl)c1ccc([N+](=O)[O-])cc1 ZINC000005094719 559243533 /nfs/dbraw/zinc/24/35/33/559243533.db2.gz LHPMPPZJSRHLDN-UHFFFAOYSA-N 0 0 402.575 4.105 50 5 HIBARN O=C(Oc1cc(S(=O)(=O)c2ccccc2)ccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000001044546 560180282 /nfs/dbraw/zinc/18/02/82/560180282.db2.gz WNDWKKPBLAKXMI-UHFFFAOYSA-N 0 0 417.826 4.300 50 5 in-vitro HIBARN Cc1ccnc(N2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2ccc([N+](=O)[O-])cc2)c1 ZINC000005219397 560544165 /nfs/dbraw/zinc/54/41/65/560544165.db2.gz KAJHHPVMDKYFNC-HXUWFJFHSA-N 0 0 413.389 4.154 50 5 HIBARN O=C(CSc1nccn1-c1cccc(F)c1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000005263447 560553049 /nfs/dbraw/zinc/55/30/49/560553049.db2.gz ZDLDFAFBNGTEDB-UHFFFAOYSA-N 0 0 406.826 4.304 50 5 HIBARN CC(=O)Oc1ccc2c(c1)oc(C(F)(F)F)c(Oc1ccc([N+](=O)[O-])cc1)c2=O ZINC000005632167 560635263 /nfs/dbraw/zinc/63/52/63/560635263.db2.gz TWPOROOJFUJDQY-UHFFFAOYSA-N 0 0 409.272 4.438 50 5 HIBARN c1ccc(-n2nnnc2CSc2nc3ccccc3c3nc4ccccc4n32)cc1 ZINC000017671663 560722428 /nfs/dbraw/zinc/72/24/28/560722428.db2.gz HCAAEJYHNMWYPN-UHFFFAOYSA-N 0 0 409.478 4.304 50 5 HIBARN CN(Cc1ccccc1N1CCCCC1)C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000024391894 560772269 /nfs/dbraw/zinc/77/22/69/560772269.db2.gz AFRKCEWFQWQTOI-UHFFFAOYSA-N 0 0 410.518 4.436 50 5 HIBARN CC(C)[C@H](NC(=O)c1ccccc1Cl)c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000101718511 560798636 /nfs/dbraw/zinc/79/86/36/560798636.db2.gz ZBSMLPYPXIAUAK-INIZCTEOSA-N 0 0 400.822 4.425 50 5 HIBARN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000105779208 560877235 /nfs/dbraw/zinc/87/72/35/560877235.db2.gz DAOOVLYQDZZLEV-FZKQIMNGSA-N 0 0 414.849 4.433 50 5 HIBARN CN(C(=O)c1cc(C(=O)N(C)C2CCCCC2)cc([N+](=O)[O-])c1)C1CCCCC1 ZINC000000712429 568464588 /nfs/dbraw/zinc/46/45/88/568464588.db2.gz LPRMNCPATBGSCC-UHFFFAOYSA-N 0 0 401.507 4.404 50 5 HIBARN CC(=O)Oc1ccc(N2C(=O)c3ccc(Oc4cccc([N+](=O)[O-])c4)cc3C2=O)cc1 ZINC000000793764 568478511 /nfs/dbraw/zinc/47/85/11/568478511.db2.gz USRCFBPMCYCWFU-UHFFFAOYSA-N 0 0 418.361 4.113 50 5 HIBARN O=C1OC(c2cc([N+](=O)[O-])ccc2Cl)=N/C1=C\c1ccc(Br)cc1 ZINC000000822619 568497852 /nfs/dbraw/zinc/49/78/52/568497852.db2.gz DINWNLJUKNROJF-AUWJEWJLSA-N 0 0 407.607 4.355 50 5 HIBARN O=C(N[C@@H](Nc1ccccc1F)C(Cl)(Cl)Cl)c1ccccc1[N+](=O)[O-] ZINC000000824885 568497992 /nfs/dbraw/zinc/49/79/92/568497992.db2.gz LMCPXNAZHXEMCE-CQSZACIVSA-N 0 0 406.628 4.272 50 5 HIBARN COc1ccc(C(=O)Nc2cccc(NC(=O)c3cccc(C)c3)c2)cc1[N+](=O)[O-] ZINC000000826573 568499243 /nfs/dbraw/zinc/49/92/43/568499243.db2.gz XWNSSIQAWBGHSN-UHFFFAOYSA-N 0 0 405.410 4.416 50 5 HIBARN CC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@H]12 ZINC000000835809 568501670 /nfs/dbraw/zinc/50/16/70/568501670.db2.gz IHITZEHWKGKLRG-NFJKTXFASA-N 0 0 410.429 4.166 50 5 HIBARN Cc1cc(Br)c(NC(=O)c2cc(F)c(F)c(F)c2F)cc1[N+](=O)[O-] ZINC000095941696 568662378 /nfs/dbraw/zinc/66/23/78/568662378.db2.gz ZYRIUMGRNSSNBL-UHFFFAOYSA-N 0 0 407.117 4.474 50 5 HIBARN Cc1cc(CNc2cnc(Br)c(Br)c2)ccc1[N+](=O)[O-] ZINC000095943664 568662573 /nfs/dbraw/zinc/66/25/73/568662573.db2.gz XCDKGNSOGWWLPM-UHFFFAOYSA-N 0 0 401.058 4.435 50 5 HIBARN CC(=O)N1N=C(c2cccc([N+](=O)[O-])c2)O[C@H]1c1cc2ccc(C)cc2nc1Cl ZINC000021091282 568664053 /nfs/dbraw/zinc/66/40/53/568664053.db2.gz KBTXOYVSRXNQGO-FQEVSTJZSA-N 0 0 410.817 4.344 50 5 HIBARN CC(=O)N1N=C(c2c3ccccc3cc3ccccc32)O[C@H]1Cn1nnc2ccccc21 ZINC000021093150 568664535 /nfs/dbraw/zinc/66/45/35/568664535.db2.gz ONVCOHMFZZCRQR-QHCPKHFHSA-N 0 0 421.460 4.304 50 5 HIBARN Cc1ccc(NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)NC(=O)c2cccs2)cc1 ZINC000000851250 568712476 /nfs/dbraw/zinc/71/24/76/568712476.db2.gz ALRFYNNXRDWKFF-AQTBWJFISA-N 0 0 407.451 4.374 50 5 HIBARN CC(C)CN(CCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C(=O)CCc1ccccc1 ZINC000096275764 568714509 /nfs/dbraw/zinc/71/45/09/568714509.db2.gz RTHNKBZZJVZFLU-UHFFFAOYSA-N 0 0 422.485 4.305 50 5 HIBARN CC[C@@H](C)[C@@H](NC(=O)CCc1ccccc1)c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000096275769 568714512 /nfs/dbraw/zinc/71/45/12/568714512.db2.gz RZQNKVJESITBKY-FOIQADDNSA-N 0 0 408.458 4.481 50 5 HIBARN Cc1nc(C)c([C@H](C)NC(=O)c2ccc(N3CCC[C@@H](C)C3)c([N+](=O)[O-])c2)s1 ZINC000229569513 568714556 /nfs/dbraw/zinc/71/45/56/568714556.db2.gz ZMTMSIFVXABXNW-OCCSQVGLSA-N 0 0 402.520 4.395 50 5 HIBARN CC[C@H](C)[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nc(-c2cccc(OC)c2)no1 ZINC000096277987 568716476 /nfs/dbraw/zinc/71/64/76/568716476.db2.gz GPEQIJLQKXUTQG-UGSOOPFHSA-N 0 0 410.430 4.171 50 5 HIBARN Cn1cc([C@@H](CC(=O)NCc2ccncc2)c2ccccc2[N+](=O)[O-])c2ccccc21 ZINC000096278314 568716604 /nfs/dbraw/zinc/71/66/04/568716604.db2.gz OVCVNYTYQYWLOD-FQEVSTJZSA-N 0 0 414.465 4.320 50 5 HIBARN CC[C@@H](C)[C@@H](NC(=O)Cc1ccc(F)cc1)c1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000096290227 568720287 /nfs/dbraw/zinc/72/02/87/568720287.db2.gz VNIFIIVRPUFESN-BFUOFWGJSA-N 0 0 412.421 4.230 50 5 HIBARN CCCN(CCc1nc(-c2cccc([N+](=O)[O-])c2)no1)C(=O)c1ccc(C)c(C)c1 ZINC000096290420 568720445 /nfs/dbraw/zinc/72/04/45/568720445.db2.gz YEANOVLSZYRJCC-UHFFFAOYSA-N 0 0 408.458 4.357 50 5 HIBARN CCOc1cc(C(=S)N2CCCCC2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000000866293 568723619 /nfs/dbraw/zinc/72/36/19/568723619.db2.gz KAUGMVNLIHSBIB-UHFFFAOYSA-N 0 0 414.483 4.374 50 5 HIBARN O=C(NC(=S)Nc1ccc(N2CCCCC2)c(Cl)c1)c1ccc([N+](=O)[O-])cc1 ZINC000000878045 568726254 /nfs/dbraw/zinc/72/62/54/568726254.db2.gz VBTLIJQCKLAWQL-UHFFFAOYSA-N 0 0 418.906 4.365 50 5 HIBARN CC(=O)c1c(OC(=O)c2ccc(Cl)cc2[N+](=O)[O-])ccc2c(C)cc(=O)oc21 ZINC000000952618 568756961 /nfs/dbraw/zinc/75/69/61/568756961.db2.gz JZMIBUKZWGPHFL-UHFFFAOYSA-N 0 0 401.758 4.085 50 5 HIBARN C[C@H](c1ccccc1)N1C(=O)[C@H]2[C@@H](C1=O)C1([N+](=O)[O-])c3ccccc3C2c2ccccc21 ZINC000001025932 568763575 /nfs/dbraw/zinc/76/35/75/568763575.db2.gz KSAGMQGUJRTNNG-MGHXFCRTSA-N 0 0 424.456 4.028 50 5 HIBARN Cc1ccc(CCC(=O)Nc2ccc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1 ZINC000021973731 568764058 /nfs/dbraw/zinc/76/40/58/568764058.db2.gz LGIPGPRKGCKXNL-UHFFFAOYSA-N 0 0 424.478 4.307 50 5 HIBARN CCCN1C(=O)C(=Cc2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)NC1=S ZINC000001106921 568770161 /nfs/dbraw/zinc/77/01/61/568770161.db2.gz SLDRVEBDZXRIDA-UNOMPAQXSA-N 0 0 420.494 4.477 50 5 HIBARN CCC(CC)[C@H]1C[C@H](NC(=O)c2sc(Br)cc2[N+](=O)[O-])CCO1 ZINC000225549258 568772811 /nfs/dbraw/zinc/77/28/11/568772811.db2.gz UPEDDBGWKMJIBO-ZYHUDNBSSA-N 0 0 405.314 4.132 50 5 HIBARN O=C(CCc1nnc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)s1)c1ccccc1 ZINC000001154014 568774034 /nfs/dbraw/zinc/77/40/34/568774034.db2.gz UQMGNCKCBJPENN-UHFFFAOYSA-N 0 0 416.846 4.168 50 5 HIBARN COc1ccc([N+](=O)[O-])cc1COc1cc2oc(=O)c3c(c2cc1Cl)CCC3 ZINC000001154397 568774249 /nfs/dbraw/zinc/77/42/49/568774249.db2.gz MPJROVCAFZOCPS-UHFFFAOYSA-N 0 0 401.802 4.431 50 5 HIBARN O=C(Nc1c2c(nn1-c1ccc([N+](=O)[O-])cc1)CSC2)c1c(F)cccc1F ZINC000002483550 568775057 /nfs/dbraw/zinc/77/50/57/568775057.db2.gz GKBFTXAEQNBDHF-UHFFFAOYSA-N 0 0 402.382 4.058 50 5 HIBARN COc1ccc(C(=O)NC(=S)Nc2ccc(Cl)c(Cl)c2)cc1[N+](=O)[O-] ZINC000001169708 568775337 /nfs/dbraw/zinc/77/53/37/568775337.db2.gz RLSOXUNQHAXSTN-UHFFFAOYSA-N 0 0 400.243 4.037 50 5 HIBARN O=[N+]([O-])c1ccc(N2CCOC[C@H]2Cc2c[nH]c3ccccc23)cc1OC(F)F ZINC000225646052 568777919 /nfs/dbraw/zinc/77/79/19/568777919.db2.gz NBGXRCNCXFYHKH-OAHLLOKOSA-N 0 0 403.385 4.125 50 5 HIBARN CCOC(=O)c1cc(C(=O)c2cccc([N+](=O)[O-])c2)n2c1ccc1cc(OC)ccc12 ZINC000002532655 568780759 /nfs/dbraw/zinc/78/07/59/568780759.db2.gz JRWFLBCMBPDFMU-UHFFFAOYSA-N 0 0 418.405 4.417 50 5 HIBARN Cc1cc([N+](=O)[O-])nn1Cc1ccccc1C(=O)Nc1ccc(OC(F)F)cc1 ZINC000002796582 568809719 /nfs/dbraw/zinc/80/97/19/568809719.db2.gz UWGAHWASRFEYGF-UHFFFAOYSA-N 0 0 402.357 4.002 50 5 HIBARN CCCCC(=O)Nc1ccc(NC(=O)c2ccc(OCC)c([N+](=O)[O-])c2)cc1OC ZINC000002821675 568812202 /nfs/dbraw/zinc/81/22/02/568812202.db2.gz CSNZDOOZZDIRJB-UHFFFAOYSA-N 0 0 415.446 4.383 50 5 HIBARN O=[N+]([O-])c1ccccc1S(=O)(=O)NCCSCc1c(Cl)cccc1Cl ZINC000002817394 568812207 /nfs/dbraw/zinc/81/22/07/568812207.db2.gz OQTXNWNYULIOLH-UHFFFAOYSA-N 0 0 421.327 4.113 50 5 HIBARN CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2C)nnc1-c1ccccc1C ZINC000002830714 568812487 /nfs/dbraw/zinc/81/24/87/568812487.db2.gz XERFULSYGRKLDG-UHFFFAOYSA-N 0 0 411.487 4.221 50 5 HIBARN CCOc1ccc(C(=O)NC(=S)Nc2cc([N+](=O)[O-])ccc2Cl)cc1Cl ZINC000001172180 568818787 /nfs/dbraw/zinc/81/87/87/568818787.db2.gz PYBVUUBUYPHULX-UHFFFAOYSA-N 0 0 414.270 4.427 50 5 HIBARN Cc1nn(S(=O)(=O)c2ccc(C)cc2)c(C)c1Sc1ccccc1[N+](=O)[O-] ZINC000001182466 568821631 /nfs/dbraw/zinc/82/16/31/568821631.db2.gz TWTJCNBXEFRPQB-UHFFFAOYSA-N 0 0 403.485 4.105 50 5 HIBARN CCCC(=O)Nc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2Br)c1 ZINC000001204156 568823573 /nfs/dbraw/zinc/82/35/73/568823573.db2.gz WLAVTBWEDADTMC-UHFFFAOYSA-N 0 0 406.236 4.348 50 5 HIBARN CC(=O)Nc1ccc(NC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)cc1 ZINC000005885465 568828223 /nfs/dbraw/zinc/82/82/23/568828223.db2.gz NXJVFRXNNZLBQQ-UHFFFAOYSA-N 0 0 404.426 4.418 50 5 HIBARN O=[N+]([O-])c1ccc(CSc2nnc(-c3cccs3)n2C[C@H]2CCCO2)cc1 ZINC000029738421 568828660 /nfs/dbraw/zinc/82/86/60/568828660.db2.gz CIPDUVYAWCZFIF-OAHLLOKOSA-N 0 0 402.501 4.386 50 5 HIBARN O=C(Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1cc(C(F)(F)F)ccc1Cl ZINC000005943824 568831478 /nfs/dbraw/zinc/83/14/78/568831478.db2.gz QSBJEFLHKHBOTG-UHFFFAOYSA-N 0 0 403.700 4.356 50 5 HIBARN Cc1ccc(O[C@H](C)C(=O)Nc2ccc(OCc3ccccc3)cc2)c([N+](=O)[O-])n1 ZINC000005970298 568833007 /nfs/dbraw/zinc/83/30/07/568833007.db2.gz AASCWGGSPDVOQD-MRXNPFEDSA-N 0 0 407.426 4.283 50 5 HIBARN O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1cccc(NC(=O)C2CC2)c1 ZINC000012527300 568843629 /nfs/dbraw/zinc/84/36/29/568843629.db2.gz DVWDKNKZBRRXEO-UHFFFAOYSA-N 0 0 411.461 4.142 50 5 HIBARN O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000003150570 568858432 /nfs/dbraw/zinc/85/84/32/568858432.db2.gz AMGLQORHTXCQJE-UHFFFAOYSA-N 0 0 421.390 4.455 50 5 HIBARN O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000003167643 568858765 /nfs/dbraw/zinc/85/87/65/568858765.db2.gz PUIXSOVMOOVYBT-UHFFFAOYSA-N 0 0 417.446 4.269 50 5 HIBARN COc1ccc(NC(=O)[C@H](C)Nc2ccc(-c3csc(C)n3)cc2)c([N+](=O)[O-])c1 ZINC000012562338 568859252 /nfs/dbraw/zinc/85/92/52/568859252.db2.gz RVXGDASHYXVUQY-LBPRGKRZSA-N 0 0 412.471 4.474 50 5 HIBARN CCOc1ccc(NC(=O)c2cccc(OC(F)(F)C(F)F)c2)cc1[N+](=O)[O-] ZINC000003201571 568861375 /nfs/dbraw/zinc/86/13/75/568861375.db2.gz BBGOSVMZMNGNDF-UHFFFAOYSA-N 0 0 402.300 4.483 50 5 HIBARN O=C(CSc1nnc(Nc2ccccc2F)s1)Nc1cccc([N+](=O)[O-])c1 ZINC000003234932 568865333 /nfs/dbraw/zinc/86/53/33/568865333.db2.gz PIGVVOWPQWSTSH-UHFFFAOYSA-N 0 0 405.436 4.060 50 5 HIBARN COc1ccc(C(=O)Nc2cc(-c3ccccc3Br)[nH]n2)cc1[N+](=O)[O-] ZINC000058157912 568892715 /nfs/dbraw/zinc/89/27/15/568892715.db2.gz JUQNBWGXBZSUHN-UHFFFAOYSA-N 0 0 417.219 4.008 50 5 HIBARN O=c1c(-c2c3c[nH]nc3nc3c4ccc(O)cc4oc32)cc2cccc3c2n1CCC3 ZINC000217697579 568906785 /nfs/dbraw/zinc/90/67/85/568906785.db2.gz NZNTUHQEBZGTAG-UHFFFAOYSA-N 0 0 408.417 4.491 50 5 HIBARN O=[N+]([O-])c1ccc(Sc2nccn2-c2ncc(C(F)(F)F)cc2Cl)nc1 ZINC000001387019 568922787 /nfs/dbraw/zinc/92/27/87/568922787.db2.gz WRIZPCRHMLIDJB-UHFFFAOYSA-N 0 0 401.757 4.394 50 5 HIBARN O=C(Cc1ccccc1)N[C@@H](Nc1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)Cl ZINC000004032051 568934585 /nfs/dbraw/zinc/93/45/85/568934585.db2.gz OJYCRKQVGIMMPV-OAHLLOKOSA-N 0 0 402.665 4.062 50 5 HIBARN Cc1ccc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c(C(=O)c2ccccc2)c1 ZINC000004031654 568934673 /nfs/dbraw/zinc/93/46/73/568934673.db2.gz YKNYHNQLGMEWIJ-UHFFFAOYSA-N 0 0 405.366 4.295 50 5 HIBARN COc1cc([N+](=O)[O-])ccc1NC(=O)COc1c(C)cc(Br)cc1C ZINC000004056350 568936440 /nfs/dbraw/zinc/93/64/40/568936440.db2.gz MUKZLXNEMCYSPX-UHFFFAOYSA-N 0 0 409.236 4.000 50 5 HIBARN COc1ccc(S(=O)(=O)Nc2ccc3oc4c(c3c2)C[C@@H](C)CC4)cc1[N+](=O)[O-] ZINC000004148325 568946300 /nfs/dbraw/zinc/94/63/00/568946300.db2.gz LYCIRCIEXWSPOW-LBPRGKRZSA-N 0 0 416.455 4.275 50 5 HIBARN O=C(C[C@@H]1Sc2ccc(C(F)(F)F)cc2NC1=O)Nc1ccccc1[N+](=O)[O-] ZINC000004163320 568947330 /nfs/dbraw/zinc/94/73/30/568947330.db2.gz QVHRBTTUEKJHPI-AWEZNQCLSA-N 0 0 411.361 4.055 50 5 HIBARN Cc1cc([N+](=O)[O-])c(N2CCCC2)cc1NC(=S)NC(=O)c1ccccc1Cl ZINC000004185613 568949241 /nfs/dbraw/zinc/94/92/41/568949241.db2.gz UYASTMZOITYBAK-UHFFFAOYSA-N 0 0 418.906 4.284 50 5 HIBARN O=[N+]([O-])c1cccc(C2=NC(C(F)(F)F)(C(F)(F)F)N=C(N3CCCCC3)O2)c1 ZINC000001440409 568969088 /nfs/dbraw/zinc/96/90/88/568969088.db2.gz RIHYZOPEANHEMD-UHFFFAOYSA-N 0 0 424.301 4.034 50 5 HIBARN O=C(NC[C@@H](c1ccco1)N1CCc2ccccc21)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004305104 568976878 /nfs/dbraw/zinc/97/68/78/568976878.db2.gz PJNAHZDEASOGLT-IBGZPJMESA-N 0 0 411.845 4.375 50 5 HIBARN Cc1ccc2c(c1)[C@@H](c1ccccc1)N(C(=O)c1cccc([N+](=O)[O-])c1C)CC(=O)N2 ZINC000004306856 568977716 /nfs/dbraw/zinc/97/77/16/568977716.db2.gz AQUCFLKYIAIGLQ-HSZRJFAPSA-N 0 0 415.449 4.396 50 5 HIBARN Cc1ccc(S(=O)(=O)N[C@H](c2cccs2)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000012881265 569018599 /nfs/dbraw/zinc/01/85/99/569018599.db2.gz JUXGUKGPFBXVOA-SFHVURJKSA-N 0 0 406.460 4.172 50 5 HIBARN CSc1ccc(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)cc1[N+](=O)[O-] ZINC000012931026 569024690 /nfs/dbraw/zinc/02/46/90/569024690.db2.gz HEOAZCNHYKMMRM-MRXNPFEDSA-N 0 0 414.483 4.455 50 5 HIBARN COc1cc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)cc(Cl)c1O ZINC000016182800 569029653 /nfs/dbraw/zinc/02/96/53/569029653.db2.gz PVUSUVITZHGCDG-OVCLIPMQSA-N 0 0 420.830 4.199 50 5 HIBARN O=C(CCNC(=O)OCc1ccccc1)Oc1ccc2c(c1)oc(=O)c1ccccc21 ZINC000001749975 569051858 /nfs/dbraw/zinc/05/18/58/569051858.db2.gz SPUFFPTWGIJYTG-UHFFFAOYSA-N 0 0 417.417 4.168 50 5 biogenic HIBARN Cc1cc(C)cc(NC(=O)CCCCCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1 ZINC000001807615 569053538 /nfs/dbraw/zinc/05/35/38/569053538.db2.gz JIEXRWACNFVUCL-UHFFFAOYSA-N 0 0 409.442 4.007 50 5 HIBARN O=C(CSc1nnc(-c2ccco2)n1-c1ccccc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000006474729 569058285 /nfs/dbraw/zinc/05/82/85/569058285.db2.gz IMOWZCFZASLGEN-UHFFFAOYSA-N 0 0 421.438 4.166 50 5 HIBARN COc1ccc(-c2cc([N+](=O)[O-])ccc2O[C@H](C)C(=O)NCc2ccccc2)cc1 ZINC000006537469 569064423 /nfs/dbraw/zinc/06/44/23/569064423.db2.gz DLJBCZINQYVPEI-MRXNPFEDSA-N 0 0 406.438 4.354 50 5 HIBARN CCOC(=O)c1cc([N+](=O)[O-])cnc1/C=C/c1c(C)nn(-c2ccccc2)c1Cl ZINC000016695603 569070549 /nfs/dbraw/zinc/07/05/49/569070549.db2.gz ZARCXLTZWCXXRU-MDZDMXLPSA-N 0 0 412.833 4.484 50 5 HIBARN CC(=O)N1N=C(c2cccc([N+](=O)[O-])c2)O[C@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000064819663 569102125 /nfs/dbraw/zinc/10/21/25/569102125.db2.gz OVCMRTUUHHUYFU-FQEVSTJZSA-N 0 0 422.353 4.002 50 5 HIBARN COc1cc(CN2CCCn3cccc3[C@@H]2c2ccccc2[N+](=O)[O-])cc(OC)c1 ZINC000036347791 569144141 /nfs/dbraw/zinc/14/41/41/569144141.db2.gz LTKRASHWUHSFHL-QHCPKHFHSA-N 0 0 407.470 4.409 50 5 HIBARN CCc1cccc2c([C@H](CC(=O)N3CCOCC3)c3cccc([N+](=O)[O-])c3)c[nH]c21 ZINC000006837517 569149314 /nfs/dbraw/zinc/14/93/14/569149314.db2.gz XGHMTJFZEVAKKD-HXUWFJFHSA-N 0 0 407.470 4.019 50 5 HIBARN Cc1ccc(S(=O)(=O)N2CC=C(c3c[nH]c4cc(F)ccc43)CC2)cc1[N+](=O)[O-] ZINC000036396943 569170088 /nfs/dbraw/zinc/17/00/88/569170088.db2.gz XQKZOWGWOZOBBC-UHFFFAOYSA-N 0 0 415.446 4.002 50 5 HIBARN CCOC(=O)c1sc(N(C(=O)c2ccc([N+](=O)[O-])cc2)C2CCCC2)nc1C ZINC000036612052 569208932 /nfs/dbraw/zinc/20/89/32/569208932.db2.gz BQWLZXNIKHMCNT-UHFFFAOYSA-N 0 0 403.460 4.126 50 5 HIBARN Cn1c(COc2ccc3c(c2)CCCC3)nnc1SCc1ccc([N+](=O)[O-])cc1 ZINC000007341961 569234472 /nfs/dbraw/zinc/23/44/72/569234472.db2.gz MYXPRWMHUSJVIZ-UHFFFAOYSA-N 0 0 410.499 4.473 50 5 HIBARN CC(C)c1nc2n(n1)C[C@@H](Nc1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-])CC2 ZINC000170624882 569249568 /nfs/dbraw/zinc/24/95/68/569249568.db2.gz PQTSMYHHHVKOLK-VIFPVBQESA-N 0 0 403.792 4.409 50 5 HIBARN Cc1cccc(C(=O)Nc2ccc(-c3csc(N4CCOCC4)n3)cc2)c1[N+](=O)[O-] ZINC000010498485 569254672 /nfs/dbraw/zinc/25/46/72/569254672.db2.gz GCIZLBYTQNWOOX-UHFFFAOYSA-N 0 0 424.482 4.116 50 5 HIBARN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CCN(Cc2ccc(Cl)s2)CC1 ZINC000013324922 569255003 /nfs/dbraw/zinc/25/50/03/569255003.db2.gz MINAGMKPYCOJCI-UHFFFAOYSA-N 0 0 415.302 4.313 50 5 HIBARN COc1ccc2c(c1OC)C(=O)O[C@@H]2Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000002203804 569296129 /nfs/dbraw/zinc/29/61/29/569296129.db2.gz CMUVYAORHDUZBC-KRWDZBQOSA-N 0 0 413.411 4.017 50 5 HIBARN CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCC(C(=O)c2ccc(Cl)cc2)CC1 ZINC000253419409 569367731 /nfs/dbraw/zinc/36/77/31/569367731.db2.gz OUWRLBAATOMMOV-UHFFFAOYSA-N 0 0 416.861 4.382 50 5 HIBARN CCOC(=O)c1ccc(N[C@H](c2cccc([N+](=O)[O-])c2)P(=O)(OC)OC)cc1 ZINC000002296754 569369478 /nfs/dbraw/zinc/36/94/78/569369478.db2.gz YZQYLJIWLBCESW-KRWDZBQOSA-N 0 0 408.347 4.368 50 5 HIBARN COc1ccc(-c2nc3c(c(=O)c4ccccc4n3C)c(=O)n2C2CCCCC2)cc1 ZINC000002342361 569376388 /nfs/dbraw/zinc/37/63/88/569376388.db2.gz IDSYQMKGTQCQBA-UHFFFAOYSA-N 0 0 415.493 4.429 50 5 HIBARN CCCn1c(C)nc2c(c3nc4ccccc4nc3n2Cc2ccc(F)cc2)c1=O ZINC000002416510 569397350 /nfs/dbraw/zinc/39/73/50/569397350.db2.gz NCANAUUYRPNTMM-UHFFFAOYSA-N 0 0 401.445 4.200 50 5 HIBARN CCCCCCn1cnc2c(c3nc4ccccc4nc3n2C[C@@H]2CCCO2)c1=O ZINC000002423780 569398308 /nfs/dbraw/zinc/39/83/08/569398308.db2.gz FRZMKAMCBIGNLE-INIZCTEOSA-N 0 0 405.502 4.054 50 5 HIBARN CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)CCC(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000012319013 569400316 /nfs/dbraw/zinc/40/03/16/569400316.db2.gz XWUWJQFHHRAQMX-BPAFIMBUSA-N 0 0 419.474 4.105 50 5 HIBARN Cc1ccc(Oc2ccccc2NC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000012795699 569403484 /nfs/dbraw/zinc/40/34/84/569403484.db2.gz BMLOPHGUKLCEAK-UHFFFAOYSA-N 0 0 405.410 4.064 50 5 HIBARN CCCCOc1ccc(NC(=O)CSCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000012858001 569404093 /nfs/dbraw/zinc/40/40/93/569404093.db2.gz HJPPATRBFAGCPL-UHFFFAOYSA-N 0 0 417.487 4.084 50 5 HIBARN C[C@@H](Oc1ccc(F)c2c1C(=O)C[C@@H]2C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000012996732 569405998 /nfs/dbraw/zinc/40/59/98/569405998.db2.gz UVJPGQIRDLDJOE-VHSXEESVSA-N 0 0 406.797 4.483 50 5 HIBARN Cc1c(NC(=O)c2ccc([N+](=O)[O-])cc2)cccc1C(=O)N1CCc2sccc2C1 ZINC000013012492 569407348 /nfs/dbraw/zinc/40/73/48/569407348.db2.gz NKXNKSREPKVMRT-UHFFFAOYSA-N 0 0 421.478 4.416 50 5 HIBARN Cn1cnnc1Sc1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1[N+](=O)[O-] ZINC000013149785 569409979 /nfs/dbraw/zinc/40/99/79/569409979.db2.gz CNVNNQQWNKWIHH-UHFFFAOYSA-N 0 0 424.269 4.434 50 5 HIBARN NC(=O)c1cc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c(Cl)cc1Cl ZINC000328589807 569414775 /nfs/dbraw/zinc/41/47/75/569414775.db2.gz HGEBJXVWNXOGQY-UHFFFAOYSA-N 0 0 424.649 4.239 50 5 HIBARN Cc1c([C@@H](C)NC(=O)c2cccc(Cl)c2[N+](=O)[O-])cnn1-c1ccc(F)cc1 ZINC000079020650 569424294 /nfs/dbraw/zinc/42/42/94/569424294.db2.gz SFORNGQQKNSOMG-LLVKDONJSA-N 0 0 402.813 4.372 50 5 HIBARN O=C(CSc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(Br)cc1 ZINC000019833058 569430895 /nfs/dbraw/zinc/43/08/95/569430895.db2.gz WQVAPYYGBLIRQW-UHFFFAOYSA-N 0 0 420.244 4.382 50 5 HIBARN C[C@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1C(=O)N1CCCCCC1 ZINC000008562419 571082069 /nfs/dbraw/zinc/08/20/69/571082069.db2.gz JGJQDJCKWSHPQM-INIZCTEOSA-N 0 0 411.458 4.017 50 5 HIBARN COc1ccccc1-c1noc(-c2ccc(NCc3cccnc3)c([N+](=O)[O-])c2)n1 ZINC000008586852 571083570 /nfs/dbraw/zinc/08/35/70/571083570.db2.gz QVOPDSFTCQKKLT-UHFFFAOYSA-N 0 0 403.398 4.328 50 5 aggregator HIBARN Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1cccc([N+](=O)[O-])c1)N(c1nccs1)C3=O ZINC000008827403 571122182 /nfs/dbraw/zinc/12/21/82/571122182.db2.gz CJUCLCWGUJKCHS-QGZVFWFLSA-N 0 0 419.418 4.216 50 5 HIBARN O=[N+]([O-])c1ccc(-c2nc3nc4ccccc4nc3n2-c2ccc3c(c2)OCO3)cc1 ZINC000008828379 571122556 /nfs/dbraw/zinc/12/25/56/571122556.db2.gz GDGBJOPOBQDVCX-UHFFFAOYSA-N 0 0 411.377 4.273 50 5 HIBARN O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl ZINC000040073739 571153925 /nfs/dbraw/zinc/15/39/25/571153925.db2.gz YBLNJUCBHFCLJY-INIZCTEOSA-N 0 0 408.241 4.145 50 5 HIBARN CC(=O)N(c1nc(COC(=O)c2ccc([N+](=O)[O-])cc2)cs1)c1ccccc1F ZINC000008943741 571169502 /nfs/dbraw/zinc/16/95/02/571169502.db2.gz IOMHLPVWJUKVSO-UHFFFAOYSA-N 0 0 415.402 4.232 50 5 HIBARN CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)c1csc([N+](=O)[O-])c1 ZINC000040140790 571192062 /nfs/dbraw/zinc/19/20/62/571192062.db2.gz YBXOTCKDJLQLNH-UHFFFAOYSA-N 0 0 416.286 4.454 50 5 HIBARN Cn1c2ccccc2c(=O)c2c3nc4ccccc4n3c(-c3cccc([N+](=O)[O-])c3)nc21 ZINC000009087543 571219946 /nfs/dbraw/zinc/21/99/46/571219946.db2.gz QTVFVZOSZPZWGQ-UHFFFAOYSA-N 0 0 421.416 4.463 50 5 HIBARN C[C@H](OC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)N[C@@H]1CCC[C@H](C)[C@H]1C ZINC000245284864 571222965 /nfs/dbraw/zinc/22/29/65/571222965.db2.gz ULPZTYOBUTUAEV-JTOWHCCKSA-N 0 0 414.458 4.341 50 5 HIBARN Cc1ccc(OCC(=O)NCCC(c2ccccc2)c2ccccc2)c([N+](=O)[O-])n1 ZINC000009121370 571225632 /nfs/dbraw/zinc/22/56/32/571225632.db2.gz STRZJTCGABXIDR-UHFFFAOYSA-N 0 0 405.454 4.015 50 5 HIBARN O=C(Nc1nnc(-c2cccc([N+](=O)[O-])c2)o1)c1cccnc1Sc1ccccc1 ZINC000009127462 571226854 /nfs/dbraw/zinc/22/68/54/571226854.db2.gz TXFMDAIRWAJADK-UHFFFAOYSA-N 0 0 419.422 4.443 50 5 HIBARN O=C(NC1CCCCC1)c1cc2cc(Cc3ccccc3)cc([N+](=O)[O-])c2oc1=O ZINC000009235056 571240028 /nfs/dbraw/zinc/24/00/28/571240028.db2.gz ZYYVSIPNCAFVEC-UHFFFAOYSA-N 0 0 406.438 4.355 50 5 HIBARN O=C(Nc1ccccc1-c1nc2ccccc2[nH]c1=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000009260574 571243710 /nfs/dbraw/zinc/24/37/10/571243710.db2.gz QEZWQRLCXWQWQN-UHFFFAOYSA-N 0 0 420.812 4.404 50 5 HIBARN O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CCN(c2nc3ccccc3s2)CC1 ZINC000009391407 571254514 /nfs/dbraw/zinc/25/45/14/571254514.db2.gz YNNSYBAYHNWSCR-UHFFFAOYSA-N 0 0 424.507 4.382 50 5 HIBARN COc1ccc(C[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)c2ccc(OC)cc2)cc1 ZINC000009595503 571272255 /nfs/dbraw/zinc/27/22/55/571272255.db2.gz RLFSKPZNAAIVBF-QHCPKHFHSA-N 0 0 420.465 4.255 50 5 HIBARN O=C(CNc1ccc(F)c([N+](=O)[O-])c1)Nc1ccccc1C(=O)Nc1ccccc1 ZINC000009949896 571291330 /nfs/dbraw/zinc/29/13/30/571291330.db2.gz FLONNSPNJGZSDA-UHFFFAOYSA-N 0 0 408.389 4.037 50 5 HIBARN CCc1ccc(-c2nc(SCC(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])n[nH]2)cc1 ZINC000009982254 571293560 /nfs/dbraw/zinc/29/35/60/571293560.db2.gz WFEOOYKBVGIVSX-UHFFFAOYSA-N 0 0 417.878 4.327 50 5 HIBARN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1cccn(Cc2ccc(Cl)cc2)c1=O ZINC000010187761 571296185 /nfs/dbraw/zinc/29/61/85/571296185.db2.gz WHXOZHQAHCYQNL-UHFFFAOYSA-N 0 0 418.236 4.364 50 5 HIBARN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(=O)n(Cc2cccc(Cl)c2)c1 ZINC000010187917 571296223 /nfs/dbraw/zinc/29/62/23/571296223.db2.gz OJNITDRQYXUHOD-UHFFFAOYSA-N 0 0 418.236 4.364 50 5 HIBARN COc1ccc(NC(=O)[C@@H](C)N2CCC(c3c[nH]c4ccccc43)CC2)c([N+](=O)[O-])c1 ZINC000010225050 571297286 /nfs/dbraw/zinc/29/72/86/571297286.db2.gz XJAQEJKIJDIRIH-OAHLLOKOSA-N 0 0 422.485 4.291 50 5 HIBARN C[C@H]1CCc2c(sc3nc(COC(=O)/C=C/c4cccc([N+](=O)[O-])c4)nc(N)c32)C1 ZINC000009914506 845603850 /nfs/dbraw/zinc/60/38/50/845603850.db2.gz HIWASNJYBXPKEY-WMADIVHISA-N 0 0 424.482 4.063 50 5 HIBARN O=C(/C=C/c1cc([N+](=O)[O-])cc2c1OCOC2)Nc1ccc(N2CCCCC2)cc1 ZINC000015580681 846065947 /nfs/dbraw/zinc/06/59/47/846065947.db2.gz JSIPCDQKTSCOOX-RUDMXATFSA-N 0 0 409.442 4.104 50 5 HIBARN CNc1ccc(/C=C2/CCn3c2nc2cc(C(F)(F)F)ccc2c3=O)cc1[N+](=O)[O-] ZINC000097992393 852647857 /nfs/dbraw/zinc/64/78/57/852647857.db2.gz FGFNTQQTTUXZHI-WQLSENKSSA-N 0 0 416.359 4.310 50 5 HIBARN Cc1cc2c(nc3sc(=Cc4ccc(-c5ccccc5[N+](=O)[O-])o4)c(=O)n23)c(C)c1 ZINC000252671805 854205068 /nfs/dbraw/zinc/20/50/68/854205068.db2.gz OICPUFFVXMGTIC-UHFFFAOYSA-N 0 0 417.446 4.242 50 5 HIBARN O=C(Cc1cccc2ccccc21)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000004703728 132284031 /nfs/dbraw/zinc/28/40/31/132284031.db2.gz MAWZYDSPAGYBNM-UHFFFAOYSA-N 0 0 409.873 4.293 50 5 HIBARN Cc1cc(C(=O)O[C@H](C)C(=O)Nc2ccc(N3CCCCC3)cc2)ccc1[N+](=O)[O-] ZINC000007532249 132324844 /nfs/dbraw/zinc/32/48/44/132324844.db2.gz DAXXZCQBGQUVTH-MRXNPFEDSA-N 0 0 411.458 4.078 50 5 HIBARN O=C(Nc1ccc(Br)cc1F)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000012516975 132361465 /nfs/dbraw/zinc/36/14/65/132361465.db2.gz JTWOTFSOAOCLAL-UHFFFAOYSA-N 0 0 422.254 4.352 50 5 HIBARN CC(=O)N[C@@H](C)c1ccc(-c2csc(NC(=O)c3csc([N+](=O)[O-])c3)n2)cc1 ZINC000044373101 519682238 /nfs/dbraw/zinc/68/22/38/519682238.db2.gz ROHWUTQSQUMCJJ-JTQLQIEISA-N 0 0 416.484 4.229 50 5 HIBARN Cc1ccc(-n2c(-c3cccc([N+](=O)[O-])c3)cnc2SCC(=O)NC(C)C)cc1 ZINC000044086577 525892265 /nfs/dbraw/zinc/89/22/65/525892265.db2.gz ZLESKXUXMWQBRT-UHFFFAOYSA-N 0 0 410.499 4.373 50 5 HIBARN COc1cc(NC(=O)Cn2c3ccccc3c(=O)c3cc(C)ccc32)cc(OC)c1 ZINC000006720333 557717106 /nfs/dbraw/zinc/71/71/06/557717106.db2.gz NCYGHZDCIRZJGT-UHFFFAOYSA-N 0 0 402.450 4.119 50 5 HIBARN O=c1c2c3nc4ccccc4nc3n(CCc3ccccc3)c2ncn1Cc1ccco1 ZINC000008834548 557811507 /nfs/dbraw/zinc/81/15/07/557811507.db2.gz BKDAOIAGBRRBDH-UHFFFAOYSA-N 0 0 421.460 4.178 50 5 HIBARN O=C(Nc1ccccc1[N+](=O)[O-])c1cccc(C(=O)Nc2ccccc2[N+](=O)[O-])c1 ZINC000004413143 558522168 /nfs/dbraw/zinc/52/21/68/558522168.db2.gz BUTKOAUHJAEECX-UHFFFAOYSA-N 0 0 406.354 4.008 50 5 HIBARN Cc1noc2nc(C3CC3)cc(C(=O)N(C)Cc3cc([N+](=O)[O-])ccc3Cl)c12 ZINC000010904177 558556869 /nfs/dbraw/zinc/55/68/69/558556869.db2.gz VWSNTFYUJPJXDS-UHFFFAOYSA-N 0 0 400.822 4.242 50 5 HIBARN O=C(Nc1ccc([N+](=O)[O-])cc1)N[C@]1(C(F)(F)F)Oc2ccc(Cl)cc2O1 ZINC000004574992 558750809 /nfs/dbraw/zinc/75/08/09/558750809.db2.gz LPKGSWWTELYSIC-OAHLLOKOSA-N 0 0 403.700 4.057 50 5 HIBARN CC[C@@H](C)N(Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-])c1ccc(C(N)=O)cc1 ZINC000072308104 558767933 /nfs/dbraw/zinc/76/79/33/558767933.db2.gz FYFHYUKBFPOHIP-GFCCVEGCSA-N 0 0 423.416 4.109 50 5 HIBARN O=C(OCc1ccc([N+](=O)[O-])cc1)C1CCN(C(=O)c2cccc3ccccc32)CC1 ZINC000016698985 558801290 /nfs/dbraw/zinc/80/12/90/558801290.db2.gz IJYSKHZOPNPDCA-UHFFFAOYSA-N 0 0 418.449 4.344 50 5 HIBARN O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CCCC[C@@H]1c1nc2ccccc2s1 ZINC000046321592 558842550 /nfs/dbraw/zinc/84/25/50/558842550.db2.gz XUGRXGJBQKWDRT-MRXNPFEDSA-N 0 0 407.455 4.448 50 5 HIBARN COc1cc(CCC2CCN(C(=O)c3ccc([N+](=O)[O-])c(C)c3)CC2)cc(OC)c1 ZINC000011128364 558854515 /nfs/dbraw/zinc/85/45/15/558854515.db2.gz PTZSGLPSHVPTSQ-UHFFFAOYSA-N 0 0 412.486 4.405 50 5 HIBARN COc1cc(CCC2CCN(C(=O)c3cccc(C)c3[N+](=O)[O-])CC2)cc(OC)c1 ZINC000011127932 558854674 /nfs/dbraw/zinc/85/46/74/558854674.db2.gz OSVSKFLBPNHGMU-UHFFFAOYSA-N 0 0 412.486 4.405 50 5 HIBARN CC1(C)S[C@H]2c3ccccc3C(=O)N2[C@@H]1C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000013731031 558860865 /nfs/dbraw/zinc/86/08/65/558860865.db2.gz QECQXNXPNVBIOD-QAPCUYQASA-N 0 0 417.874 4.235 50 5 HIBARN COc1ccc2c(c1OC)C(=O)O[C@H]2Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000004647458 558864377 /nfs/dbraw/zinc/86/43/77/558864377.db2.gz TVANVSVBTIVQQH-QGZVFWFLSA-N 0 0 413.411 4.017 50 5 HIBARN CCOC(=O)C[C@@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1Cl ZINC000004653388 558868828 /nfs/dbraw/zinc/86/88/28/558868828.db2.gz YWIYQROTISMJIR-OAHLLOKOSA-N 0 0 411.241 4.326 50 5 HIBARN COc1cc([N+](=O)[O-])ccc1NC(=O)COc1ccc(Cl)cc1Br ZINC000013880697 558889500 /nfs/dbraw/zinc/88/95/00/558889500.db2.gz CBLXOFKOMIVAQD-UHFFFAOYSA-N 0 0 415.627 4.037 50 5 HIBARN COc1ccc([C@@H]2CCCCCN2C(=O)/C=C\c2cc3c(cc2[N+](=O)[O-])OCO3)cc1 ZINC000098000957 559016444 /nfs/dbraw/zinc/01/64/44/559016444.db2.gz MGDQOMQQACZJKD-POGDKVGISA-N 0 0 424.453 4.489 50 5 HIBARN Cc1ccc(-c2ccc(C(=O)Nc3sc4c(c3C(N)=O)CCC4)o2)c([N+](=O)[O-])c1 ZINC000004776834 559056935 /nfs/dbraw/zinc/05/69/35/559056935.db2.gz KNIMXGYQAWGAMD-UHFFFAOYSA-N 0 0 411.439 4.065 50 5 HIBARN COc1cc2ccccc2cc1C(=O)OCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000004836234 559165897 /nfs/dbraw/zinc/16/58/97/559165897.db2.gz RSUNLDVQDORADM-UHFFFAOYSA-N 0 0 414.801 4.206 50 5 HIBARN Cc1nc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)sc1-c1ccccn1 ZINC000023499472 559176485 /nfs/dbraw/zinc/17/64/85/559176485.db2.gz LIKMIXPMGAOQFV-UHFFFAOYSA-N 0 0 409.471 4.274 50 5 HIBARN COc1cc(/C=C/c2nc3ccccc3c(=O)n2-c2ccccc2[N+](=O)[O-])ccc1O ZINC000004866882 559193554 /nfs/dbraw/zinc/19/35/54/559193554.db2.gz DKPBLSAUNIPHTE-ACCUITESSA-N 0 0 415.405 4.179 50 5 HIBARN Cc1nn(Cc2ccccc2Cl)c(C)c1NC(=O)c1noc(C(C)C)c1[N+](=O)[O-] ZINC000004937664 559211100 /nfs/dbraw/zinc/21/11/00/559211100.db2.gz SAPJUPAHZOTSDZ-UHFFFAOYSA-N 0 0 417.853 4.474 50 5 HIBARN Cc1ccc(C(=O)N/C(=C\c2cccc([N+](=O)[O-])c2)C(=O)NC2CCCCC2)cc1 ZINC000004964767 559217418 /nfs/dbraw/zinc/21/74/18/559217418.db2.gz DYIRRXXCXBLIRR-QNGOZBTKSA-N 0 0 407.470 4.123 50 5 HIBARN O=C1OC(c2ccc(Cl)cc2)=N/C1=C\c1ccc(Br)c([N+](=O)[O-])c1 ZINC000005059012 559237488 /nfs/dbraw/zinc/23/74/88/559237488.db2.gz DRZBPMYYTQSIKM-QPEQYQDCSA-N 0 0 407.607 4.355 50 5 HIBARN CCCn1c(C)nc2c(c3nc4ccccc4nc3n2Cc2ccc(OC)cc2)c1=O ZINC000005156975 559261691 /nfs/dbraw/zinc/26/16/91/559261691.db2.gz MPGIBCAIFQUSLA-UHFFFAOYSA-N 0 0 413.481 4.070 50 5 HIBARN Cn1ccnc1S[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000005358453 560569677 /nfs/dbraw/zinc/56/96/77/560569677.db2.gz OAYHPINOTLHCGK-MRXNPFEDSA-N 0 0 402.863 4.454 50 5 HIBARN COc1ccc(C(=O)Nc2nc3ccc(OC(F)(F)F)cc3s2)cc1[N+](=O)[O-] ZINC000018235243 560785349 /nfs/dbraw/zinc/78/53/49/560785349.db2.gz QINHDTGKZLYYOH-UHFFFAOYSA-N 0 0 413.333 4.364 50 5 HIBARN O=C1[C@@H]2CC=CC[C@@H]2C(=O)N1c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000102785287 560827539 /nfs/dbraw/zinc/82/75/39/560827539.db2.gz DKWOAYCOKSTUDP-IYBDPMFKSA-N 0 0 411.845 4.316 50 5 HIBARN C[C@@H](OC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)C(=O)c1cccc(Cl)c1 ZINC000018325403 560827982 /nfs/dbraw/zinc/82/79/82/560827982.db2.gz LUHDPCDJBQHWHD-CQSZACIVSA-N 0 0 416.861 4.279 50 5 HIBARN CCCCN(CCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C(=O)c1cccs1 ZINC000103070209 560837499 /nfs/dbraw/zinc/83/74/99/560837499.db2.gz YQGCILDPVVCJCX-UHFFFAOYSA-N 0 0 400.460 4.191 50 5 HIBARN Cc1cccc(C(=O)NCC2(NC(=O)OC(C)(C)C)CCCCCC2)c1[N+](=O)[O-] ZINC000024496210 560840356 /nfs/dbraw/zinc/84/03/56/560840356.db2.gz AYUNDGMPJJYEPZ-UHFFFAOYSA-N 0 0 405.495 4.251 50 5 HIBARN Cc1ccc(CNc2ccc(N3C(=O)[C@@H]4CC[C@@H](C)C[C@H]4C3=O)cc2[N+](=O)[O-])cc1 ZINC000104798321 560854879 /nfs/dbraw/zinc/85/48/79/560854879.db2.gz SRLLGFJQRKFCTE-ATZDWAIDSA-N 0 0 407.470 4.441 50 5 HIBARN Cn1cc([C@@H](CC(=O)NCc2ccncc2)c2ccc([N+](=O)[O-])cc2)c2ccccc21 ZINC000106798237 560893909 /nfs/dbraw/zinc/89/39/09/560893909.db2.gz HBCHVZSLZNANKU-NRFANRHFSA-N 0 0 414.465 4.320 50 5 HIBARN CCOC(=O)c1c(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)sc2c1CCCC2 ZINC000000755234 568470726 /nfs/dbraw/zinc/47/07/26/568470726.db2.gz PXEJACBZVFSAIB-ZHACJKMWSA-N 0 0 400.456 4.364 50 5 HIBARN Cc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2c4ccccc4C3c3ccccc32)cc1[N+](=O)[O-] ZINC000000826203 568497951 /nfs/dbraw/zinc/49/79/51/568497951.db2.gz DEBHJEWSPXAVOJ-BWWMBTDCSA-N 0 0 410.429 4.300 50 5 HIBARN O=C(Nc1nnc(-c2cccc([N+](=O)[O-])c2)s1)c1ccccc1Br ZINC000000829419 568498079 /nfs/dbraw/zinc/49/80/79/568498079.db2.gz FLSQTUCXLQOVMI-UHFFFAOYSA-N 0 0 405.233 4.128 50 5 HIBARN Cc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2(C)c4ccccc4C3c3ccccc32)cc1[N+](=O)[O-] ZINC000000835825 568501679 /nfs/dbraw/zinc/50/16/79/568501679.db2.gz QRSXZSAPTKDIQA-QQNJPBSNSA-N 0 0 424.456 4.474 50 5 HIBARN O=[N+]([O-])c1cc2c(cc1O[C@H]1CCOC1)ncnc2Nc1ccc(F)c(Cl)c1 ZINC000095080024 568595126 /nfs/dbraw/zinc/59/51/26/568595126.db2.gz UXAZURVGMXJLSO-NSHDSACASA-N 0 0 404.785 4.242 50 5 HIBARN CC1CCN(C(=O)c2oc3ccccc3c2NC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000020900623 568649594 /nfs/dbraw/zinc/64/95/94/568649594.db2.gz GHHJLIOGMIFWKW-UHFFFAOYSA-N 0 0 407.426 4.465 50 5 HIBARN COc1ccc(CNc2ncn(C(C)(C)C)n2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000095943667 568662604 /nfs/dbraw/zinc/66/26/04/568662604.db2.gz IGSBYXLTTJSTEB-UHFFFAOYSA-N 0 0 411.462 4.141 50 5 HIBARN CC(C)c1ccc(-c2nn3c(CN4CCCCC4)nc4ccccc4c3nc2=O)cc1 ZINC000095944228 568663172 /nfs/dbraw/zinc/66/31/72/568663172.db2.gz ZCFYTRTWNOIZIW-UHFFFAOYSA-N 0 0 413.525 4.414 50 5 HIBARN CC(C)n1ncc2c1nc1c3ccc(O)cc3oc1c2-c1ccc(OCC(N)=O)cc1 ZINC000096115496 568695199 /nfs/dbraw/zinc/69/51/99/568695199.db2.gz HCINVNARHLASNF-UHFFFAOYSA-N 0 0 416.437 4.148 50 5 HIBARN CNc1ccc(C(=O)NCCc2ccc(-c3csc(C)n3)s2)cc1[N+](=O)[O-] ZINC000012396489 568697666 /nfs/dbraw/zinc/69/76/66/568697666.db2.gz JVUTUTQZDBLLLT-UHFFFAOYSA-N 0 0 402.501 4.102 50 5 HIBARN Cc1ccc(NC(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)NC(=O)c2ccccc2)cc1 ZINC000000855622 568712858 /nfs/dbraw/zinc/71/28/58/568712858.db2.gz XCRIAUBITZEQEJ-QNGOZBTKSA-N 0 0 401.422 4.313 50 5 HIBARN CC(C)(C)CC(=O)N[C@@H](Cc1ccccc1)c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000096277820 568716393 /nfs/dbraw/zinc/71/63/93/568716393.db2.gz ZQJCAVSFULCAQS-SFHVURJKSA-N 0 0 408.458 4.481 50 5 HIBARN CC[C@@H](C)[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nc(-c2cccc(OC)c2)no1 ZINC000096277986 568716411 /nfs/dbraw/zinc/71/64/11/568716411.db2.gz GPEQIJLQKXUTQG-ACJLOTCBSA-N 0 0 410.430 4.171 50 5 HIBARN CC[C@H](C)N(CCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C(=O)c1cccc(F)c1 ZINC000096288376 568719513 /nfs/dbraw/zinc/71/95/13/568719513.db2.gz JGNRBJRJFXBVGK-AWEZNQCLSA-N 0 0 412.421 4.267 50 5 HIBARN COc1ccc([C@H]2SCCN2C(=O)c2ccc([N+](=O)[O-])cc2)cc1Br ZINC000001057402 568764796 /nfs/dbraw/zinc/76/47/96/568764796.db2.gz OOMIMUUVLHLYIW-QGZVFWFLSA-N 0 0 423.288 4.254 50 5 HIBARN CCOc1ccc(NC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000001081651 568767698 /nfs/dbraw/zinc/76/76/98/568767698.db2.gz KUTDWWQEGJIMMY-UHFFFAOYSA-N 0 0 405.410 4.498 50 5 HIBARN Cc1ccc(C)c(N2C(=O)[C@H]3[C@H](C2=O)C2([N+](=O)[O-])c4ccccc4C3c3ccccc32)c1 ZINC000001072313 568768304 /nfs/dbraw/zinc/76/83/04/568768304.db2.gz HYTQEWLPIKHJJG-QQNJPBSNSA-N 0 0 424.456 4.088 50 5 HIBARN O=C(Nc1ccc(I)cc1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000001117287 568770791 /nfs/dbraw/zinc/77/07/91/568770791.db2.gz BSJYMORMXGODRD-UHFFFAOYSA-N 0 0 402.575 4.105 50 5 HIBARN Cc1nn2c(-c3ccc(NC(=O)c4cccc([N+](=O)[O-])c4)cc3)nnc2c2ccccc12 ZINC000001121792 568771224 /nfs/dbraw/zinc/77/12/24/568771224.db2.gz INZIVTIPKSFYNY-UHFFFAOYSA-N 0 0 424.420 4.413 50 5 HIBARN O=C(CSc1nnc(-c2cccnc2)n1-c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000001156111 568774292 /nfs/dbraw/zinc/77/42/92/568774292.db2.gz MQGJUJUUQSQYOO-UHFFFAOYSA-N 0 0 417.450 4.213 50 5 HIBARN COc1ccc(N(Cc2ccccc2)S(=O)(=O)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000027967895 568774674 /nfs/dbraw/zinc/77/46/74/568774674.db2.gz GJVWOZJCAYSRHB-UHFFFAOYSA-N 0 0 412.467 4.307 50 5 HIBARN O=C(Nc1c2c(nn1-c1ccc([N+](=O)[O-])cc1)CSC2)c1ccccc1Cl ZINC000002483532 568775000 /nfs/dbraw/zinc/77/50/00/568775000.db2.gz OQWFPLBJIPMTPS-UHFFFAOYSA-N 0 0 400.847 4.433 50 5 HIBARN O=C(Nc1c2c(nn1-c1ccc([N+](=O)[O-])cc1)CSC2)c1ccc(Cl)cc1 ZINC000002483528 568775096 /nfs/dbraw/zinc/77/50/96/568775096.db2.gz MVAYXKTYCRRTGP-UHFFFAOYSA-N 0 0 400.847 4.433 50 5 HIBARN CCOc1ccc(C(=O)Nc2ccc3oc(-c4ccncc4)nc3c2)cc1[N+](=O)[O-] ZINC000001164833 568775758 /nfs/dbraw/zinc/77/57/58/568775758.db2.gz LDWKCJIQFIWNIE-UHFFFAOYSA-N 0 0 404.382 4.449 50 5 HIBARN O=[N+]([O-])c1cc(CSc2nnc(NC3CCCCC3)s2)c2c(c1)COCO2 ZINC000002653548 568797153 /nfs/dbraw/zinc/79/71/53/568797153.db2.gz MKYMNCAQXTWLGQ-UHFFFAOYSA-N 0 0 408.505 4.350 50 5 HIBARN CC[C@@H]1CCc2c(sc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)c2C(N)=O)C1 ZINC000002745958 568805985 /nfs/dbraw/zinc/80/59/85/568805985.db2.gz JTSOXVRTUZLDFR-SECBINFHSA-N 0 0 407.879 4.176 50 5 HIBARN COc1ccc([N+](=O)[O-])cc1CSc1nnc(NC(=O)c2cccc(C)c2)s1 ZINC000002837005 568812732 /nfs/dbraw/zinc/81/27/32/568812732.db2.gz XUCMHKLQTQRSSU-UHFFFAOYSA-N 0 0 416.484 4.308 50 5 HIBARN CC(C)CCn1c(=O)c2sccc2nc1SCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000002925314 568817334 /nfs/dbraw/zinc/81/73/34/568817334.db2.gz FFYKFDJSJSYSRG-UHFFFAOYSA-N 0 0 417.512 4.387 50 5 HIBARN O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)cc1N1CCN(c2ccccc2O)CC1 ZINC000015208153 568818761 /nfs/dbraw/zinc/81/87/61/568818761.db2.gz QSFMWJAQNCRTHM-UHFFFAOYSA-N 0 0 401.772 4.299 50 5 HIBARN O=[N+]([O-])c1ccc(-c2nnc(SC[C@@H](O)c3ccc(Br)cc3)o2)cc1 ZINC000025579878 568822502 /nfs/dbraw/zinc/82/25/02/568822502.db2.gz BQDCKOKCZWXMOX-CQSZACIVSA-N 0 0 422.260 4.233 50 5 HIBARN CCOC(=O)c1ccc(Cn2c3ccc([N+](=O)[O-])cc3c3nc4ccccc4nc32)o1 ZINC000002950617 568828865 /nfs/dbraw/zinc/82/88/65/568828865.db2.gz SZAWWGAIIPEYGS-UHFFFAOYSA-N 0 0 416.393 4.464 50 5 HIBARN O=C(Nc1nccs1)c1cc2cc([N+](=O)[O-])ccc2o/c1=N\c1ccc(F)cc1 ZINC000002951511 568829080 /nfs/dbraw/zinc/82/90/80/568829080.db2.gz GSDSPPJVNYYVPA-PYCFMQQDSA-N 0 0 410.386 4.421 50 5 HIBARN Cc1sc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3oc2=O)nc1-c1cccs1 ZINC000002951667 568829274 /nfs/dbraw/zinc/82/92/74/568829274.db2.gz MQWHXVQCFJHODI-UHFFFAOYSA-N 0 0 413.436 4.447 50 5 HIBARN CCOc1ccc(-n2nc3ccc(NC(=O)c4cccc([N+](=O)[O-])c4C)cc3n2)cc1 ZINC000002979615 568831782 /nfs/dbraw/zinc/83/17/82/568831782.db2.gz OZBYCLOXMDYRPK-UHFFFAOYSA-N 0 0 417.425 4.288 50 5 HIBARN COc1ccc(NC(=O)CSc2nc(-c3ccccc3)cs2)c([N+](=O)[O-])c1 ZINC000005972027 568833439 /nfs/dbraw/zinc/83/34/39/568833439.db2.gz MZFAVSZUFOEIGD-UHFFFAOYSA-N 0 0 401.469 4.458 50 5 HIBARN COc1cc(/C=C2\SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)cc(Cl)c1O ZINC000002992997 568835895 /nfs/dbraw/zinc/83/58/95/568835895.db2.gz PVUSUVITZHGCDG-NVNXTCNLSA-N 0 0 420.830 4.199 50 5 HIBARN COc1ccc(C(=O)Nc2ccc(NC(=O)c3cccc(C)c3)cc2)cc1[N+](=O)[O-] ZINC000001229005 568838459 /nfs/dbraw/zinc/83/84/59/568838459.db2.gz LIFPFSIPBUQECI-UHFFFAOYSA-N 0 0 405.410 4.416 50 5 HIBARN CCCCSc1nnc(CNC(=O)c2cccs2)n1-c1ccc([N+](=O)[O-])cc1 ZINC000004059366 568881009 /nfs/dbraw/zinc/88/10/09/568881009.db2.gz LOMCRKPRGLZRBG-UHFFFAOYSA-N 0 0 417.516 4.059 50 5 HIBARN O=C(Nc1ccc(-c2nnc3n2CCCCC3)cc1)c1ccc([N+](=O)[O-])cc1Cl ZINC000003404100 568896875 /nfs/dbraw/zinc/89/68/75/568896875.db2.gz IERNFOKJJGLVNE-UHFFFAOYSA-N 0 0 411.849 4.485 50 5 HIBARN CC(C)COC[C@H](NC(=O)c1ccc(Br)c([N+](=O)[O-])c1)c1ccco1 ZINC000058210960 568900769 /nfs/dbraw/zinc/90/07/69/568900769.db2.gz AQKCLAYSWAMWNM-AWEZNQCLSA-N 0 0 411.252 4.094 50 5 HIBARN CSCc1c2ccccc2oc1C(=O)O[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000003433292 568902063 /nfs/dbraw/zinc/90/20/63/568902063.db2.gz QUTSZCGTUNBABC-LBPRGKRZSA-N 0 0 414.439 4.388 50 5 HIBARN Cc1ccccc1-n1nnnc1Sc1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000003451504 568905741 /nfs/dbraw/zinc/90/57/41/568905741.db2.gz QIXVCVRFDZBKQO-UHFFFAOYSA-N 0 0 417.450 4.261 50 5 HIBARN O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)F)ccc1N1CCC[C@@H]1c1cccc(F)c1 ZINC000058420808 568917738 /nfs/dbraw/zinc/91/77/38/568917738.db2.gz IICFKEKAZICONC-CQSZACIVSA-N 0 0 418.368 4.369 50 5 HIBARN O=[N+]([O-])c1ccccc1-c1nc(Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])n[nH]1 ZINC000003616988 568919727 /nfs/dbraw/zinc/91/97/27/568919727.db2.gz WQBPPKMCNIYSIG-UHFFFAOYSA-N 0 0 411.321 4.458 50 5 HIBARN COc1ccc(-c2cc([N+](=O)[O-])ccc2OCC(=O)Nc2cc(C(C)C)no2)cc1 ZINC000031752509 568930417 /nfs/dbraw/zinc/93/04/17/568930417.db2.gz IJLHQEQPAOFKDP-UHFFFAOYSA-N 0 0 411.414 4.399 50 5 HIBARN O=C(c1ccccc1C(F)(F)F)N1CCN=C1SCc1cccc([N+](=O)[O-])c1 ZINC000004120667 568944878 /nfs/dbraw/zinc/94/48/78/568944878.db2.gz HGCDFTLUQOSJGK-UHFFFAOYSA-N 0 0 409.389 4.359 50 5 HIBARN COc1ccc([N+](=O)[O-])cc1NC(=O)c1nn(-c2ccc(F)cc2)c2c1CCCC2 ZINC000012777252 568955643 /nfs/dbraw/zinc/95/56/43/568955643.db2.gz YHNDOEMFCNHUGM-UHFFFAOYSA-N 0 0 410.405 4.059 50 5 HIBARN CC1(C)Cc2nc3sc(C(=O)Nc4ccccc4[N+](=O)[O-])c(N)c3cc2C(=O)C1 ZINC000004278980 568956861 /nfs/dbraw/zinc/95/68/61/568956861.db2.gz GVXPESKHHVTDNA-UHFFFAOYSA-N 0 0 410.455 4.194 50 5 HIBARN CC1CCN(c2ccc(C(=O)Oc3ccc(-c4nnco4)cc3)cc2[N+](=O)[O-])CC1 ZINC000007980947 568963606 /nfs/dbraw/zinc/96/36/06/568963606.db2.gz FVPHRMDEPUOMKR-UHFFFAOYSA-N 0 0 408.414 4.100 50 5 HIBARN C[C@H](NC(=O)CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc2ccccc2c1 ZINC000012794024 568969350 /nfs/dbraw/zinc/96/93/50/568969350.db2.gz OFIFXMUIIIPKKI-ZDUSSCGKSA-N 0 0 411.845 4.009 50 5 HIBARN NC(=O)c1ccc(NC[C@H](c2cccs2)c2c[nH]c3ccccc32)c([N+](=O)[O-])c1 ZINC000008050615 568970739 /nfs/dbraw/zinc/97/07/39/568970739.db2.gz ZOKFTJXLKLZDAC-INIZCTEOSA-N 0 0 406.467 4.481 50 5 HIBARN O=C(CCCc1cccs1)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000008143966 568977337 /nfs/dbraw/zinc/97/73/37/568977337.db2.gz KFEIBKIITBVQOW-UHFFFAOYSA-N 0 0 401.410 4.226 50 5 HIBARN COc1ccccc1[C@H](C)Nc1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000008401328 569000777 /nfs/dbraw/zinc/00/07/77/569000777.db2.gz ZIOHXYZPMAUYBQ-JTQLQIEISA-N 0 0 404.366 4.070 50 5 HIBARN Cc1nc(Nc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)cc(N2CCCC2)n1 ZINC000015838352 569013675 /nfs/dbraw/zinc/01/36/75/569013675.db2.gz YVDSBNQHPQEFFL-UHFFFAOYSA-N 0 0 418.457 4.289 50 5 HIBARN Cc1nn(-c2nc3ccc(C)cc3s2)c2c1[C@H](c1ccccc1[N+](=O)[O-])CC(=O)N2 ZINC000015868294 569017014 /nfs/dbraw/zinc/01/70/14/569017014.db2.gz HFEJNTDLLHEJLA-AWEZNQCLSA-N 0 0 419.466 4.481 50 5 HIBARN Cc1nn(-c2nc3ccccc3s2)c2c1[C@@H](c1ccccc1[N+](=O)[O-])CC(=O)N2 ZINC000015868200 569017026 /nfs/dbraw/zinc/01/70/26/569017026.db2.gz LVSWZGYZCWOEDT-CYBMUJFWSA-N 0 0 405.439 4.173 50 5 HIBARN COc1cc([N+](=O)[O-])cc2sc(NC(=O)COc3ccc(Cl)cc3C)nc21 ZINC000012898817 569020510 /nfs/dbraw/zinc/02/05/10/569020510.db2.gz NLYLAJXURFANQN-UHFFFAOYSA-N 0 0 407.835 4.192 50 5 HIBARN CCN(CC)c1c2cccc3c2c(cc1[N+](=O)[O-])C(=O)N(CCc1ccccc1)C3=O ZINC000006311483 569040121 /nfs/dbraw/zinc/04/01/21/569040121.db2.gz PDMQEIHVXGRTDV-UHFFFAOYSA-N 0 0 417.465 4.433 50 5 HIBARN CCCNC(=O)/C(=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1)NC(=O)c1ccccc1 ZINC000001738882 569041757 /nfs/dbraw/zinc/04/17/57/569041757.db2.gz SWGVOOUPLCCBAQ-HKWRFOASSA-N 0 0 419.437 4.152 50 5 HIBARN Cc1cc2nnc(SCc3cc([N+](=O)[O-])cc4c3OCOC4)n2c2ccccc12 ZINC000001924374 569059681 /nfs/dbraw/zinc/05/96/81/569059681.db2.gz DVZKKSGSRXCWSC-UHFFFAOYSA-N 0 0 408.439 4.258 50 5 HIBARN NC(=O)c1ccc(NC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)cc1 ZINC000006628020 569076057 /nfs/dbraw/zinc/07/60/57/569076057.db2.gz RBSUXBKPMJEBAL-UHFFFAOYSA-N 0 0 411.801 4.392 50 5 HIBARN Cc1c(C(=O)NC2CC2)nn(-c2ccc(C)cc2)c1Oc1ccc([N+](=O)[O-])c(C)c1 ZINC000036009423 569076326 /nfs/dbraw/zinc/07/63/26/569076326.db2.gz UVKFMBUARNMTCQ-UHFFFAOYSA-N 0 0 406.442 4.390 50 5 HIBARN O=C(c1ccc([N+](=O)[O-])cc1)N1CCC[C@H](OCc2ccc(Br)cc2)C1 ZINC000036314977 569134803 /nfs/dbraw/zinc/13/48/03/569134803.db2.gz KKXVARSNYDVLOG-SFHVURJKSA-N 0 0 419.275 4.179 50 5 HIBARN COc1ccc2cc(CN(C)C(=O)COc3ccc(Cl)cc3[N+](=O)[O-])ccc2c1 ZINC000007024238 569204646 /nfs/dbraw/zinc/20/46/46/569204646.db2.gz HFSPIVCNJIKTDU-UHFFFAOYSA-N 0 0 414.845 4.447 50 5 HIBARN CCNc1ccc(C(=O)OCC(=O)N(Cc2ccccc2)C(C)(C)C)cc1[N+](=O)[O-] ZINC000007141045 569225564 /nfs/dbraw/zinc/22/55/64/569225564.db2.gz HOKPOLFEQYICAU-UHFFFAOYSA-N 0 0 413.474 4.011 50 5 HIBARN CN(C1CCCCC1)S(=O)(=O)c1ccc(SCc2ccc([N+](=O)[O-])cc2)nc1 ZINC000007225006 569229444 /nfs/dbraw/zinc/22/94/44/569229444.db2.gz PFCWFYOIHDUDFT-UHFFFAOYSA-N 0 0 421.544 4.235 50 5 HIBARN CC(C)c1ncc(C(=O)Nc2ccc([N+](=O)[O-])c(I)c2)s1 ZINC000170617647 569247765 /nfs/dbraw/zinc/24/77/65/569247765.db2.gz TYDDRFPNTNIOOI-UHFFFAOYSA-N 0 0 417.228 4.032 50 5 HIBARN CCc1nnc(NC(=O)c2ccc(Sc3nc(C)cs3)c([N+](=O)[O-])c2)s1 ZINC000009909008 569251846 /nfs/dbraw/zinc/25/18/46/569251846.db2.gz RZCADLPHSQCNHR-UHFFFAOYSA-N 0 0 407.502 4.177 50 5 HIBARN Cc1c(C(=O)Nc2ccc(-c3csc(N4CCOCC4)n3)cc2)cccc1[N+](=O)[O-] ZINC000010500138 569254678 /nfs/dbraw/zinc/25/46/78/569254678.db2.gz BCBAKGKUUMWVFT-UHFFFAOYSA-N 0 0 424.482 4.116 50 5 HIBARN CN(Cc1ccccc1)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)Cl ZINC000016790789 569263142 /nfs/dbraw/zinc/26/31/42/569263142.db2.gz SFEPIZHTYYETKB-INIZCTEOSA-N 0 0 416.692 4.153 50 5 HIBARN C[C@@H]1CN(c2cc(Oc3cccc(F)c3)ncn2)CCN1Cc1cccc([N+](=O)[O-])c1 ZINC000037356253 569272793 /nfs/dbraw/zinc/27/27/93/569272793.db2.gz CHCROBPCRPLFQH-MRXNPFEDSA-N 0 0 423.448 4.027 50 5 HIBARN CC(C)N(Cc1nc(-c2ccccc2)no1)C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000007759752 569307334 /nfs/dbraw/zinc/30/73/34/569307334.db2.gz ISBIZLHRIFJJKI-UHFFFAOYSA-N 0 0 400.822 4.349 50 5 HIBARN COc1cc(OC)c(-c2c3cnn(C)c3nc3c4ccc(O)cc4oc32)cc1OC ZINC000253412620 569366671 /nfs/dbraw/zinc/36/66/71/569366671.db2.gz ROAKUJVUGGSAHF-UHFFFAOYSA-N 0 0 405.410 4.266 50 5 HIBARN COc1ccc(NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)NC(=O)c2cccs2)cc1 ZINC000002295949 569369385 /nfs/dbraw/zinc/36/93/85/569369385.db2.gz FQRVNVKIJXCDBS-AQTBWJFISA-N 0 0 423.450 4.075 50 5 HIBARN O=c1c2ccccc2nc(/C=C/c2ccccc2[N+](=O)[O-])n1-c1ccccc1[N+](=O)[O-] ZINC000009035971 569391296 /nfs/dbraw/zinc/39/12/96/569391296.db2.gz YTRPJJBMYOLEGO-BUHFOSPRSA-N 0 0 414.377 4.373 50 5 HIBARN COc1ccccc1NC(=O)/C(=C\c1cccc([N+](=O)[O-])c1)NC(=O)c1cccs1 ZINC000009057340 569391436 /nfs/dbraw/zinc/39/14/36/569391436.db2.gz RGEJIEYUSNLNAA-GHRIWEEISA-N 0 0 423.450 4.075 50 5 HIBARN Cc1c(OC(=O)CCCNC(=O)OC(C)(C)C)ccc2c3ccccc3c(=O)oc12 ZINC000002386653 569392136 /nfs/dbraw/zinc/39/21/36/569392136.db2.gz WOIZOKHQWVJJBY-UHFFFAOYSA-N 0 0 411.454 4.465 50 5 HIBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(-c2ccccc2Cl)n1C ZINC000009601216 569393689 /nfs/dbraw/zinc/39/36/89/569393689.db2.gz GBXAZJGBWZJDJM-UHFFFAOYSA-N 0 0 417.878 4.083 50 5 HIBARN Cc1cc(-c2nc3ncccc3o2)ccc1NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000009668725 569393803 /nfs/dbraw/zinc/39/38/03/569393803.db2.gz XDWLFDASGUVTTQ-UHFFFAOYSA-N 0 0 404.382 4.124 50 5 HIBARN CCCn1c(C)nc2c(c3nc4ccccc4nc3n2Cc2ccccc2OC)c1=O ZINC000002436672 569399756 /nfs/dbraw/zinc/39/97/56/569399756.db2.gz WLRDVIKKBDNMJM-UHFFFAOYSA-N 0 0 413.481 4.070 50 5 HIBARN Cc1cc(C(=O)Nc2nc(-c3ccc4c(c3)CCC(=O)N4)cs2)ccc1[N+](=O)[O-] ZINC000012974213 569405595 /nfs/dbraw/zinc/40/55/95/569405595.db2.gz GHCTVERVWQDJEV-UHFFFAOYSA-N 0 0 408.439 4.164 50 5 HIBARN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCC[C@H]2c2nc3ccccc3s2)c1C ZINC000012994650 569406080 /nfs/dbraw/zinc/40/60/80/569406080.db2.gz LTBDVBWVZZUSIQ-INIZCTEOSA-N 0 0 417.512 4.347 50 5 HIBARN Cc1c(Cl)cnc(NC(=O)COC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1Cl ZINC000013102749 569409056 /nfs/dbraw/zinc/40/90/56/569409056.db2.gz UOHYFWDIOOGRJC-UHFFFAOYSA-N 0 0 418.620 4.054 50 5 HIBARN Cc1cccc2nc(CSc3nc4cc([N+](=O)[O-])ccc4[nH]3)c(Br)n21 ZINC000013108395 569409150 /nfs/dbraw/zinc/40/91/50/569409150.db2.gz MNOZBBZZKBDYHU-UHFFFAOYSA-N 0 0 418.276 4.482 50 5 HIBARN O=[N+]([O-])c1ccc(S(=O)(=O)NC2c3ccccc3Oc3ccccc32)c(Cl)c1 ZINC000013133754 569409595 /nfs/dbraw/zinc/40/95/95/569409595.db2.gz UZFHCGPMGSPGFK-UHFFFAOYSA-N 0 0 416.842 4.422 50 5 HIBARN C[C@H](Oc1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-])c1ccccc1Cl ZINC000008488992 571055833 /nfs/dbraw/zinc/05/58/33/571055833.db2.gz WDVPWKWYPUGFGO-ZDUSSCGKSA-N 0 0 410.879 4.173 50 5 HIBARN Cn1c(Cn2c3ccccc3c3ccccc32)nnc1Sc1ncccc1[N+](=O)[O-] ZINC000008649329 571097738 /nfs/dbraw/zinc/09/77/38/571097738.db2.gz LMCHEDNOWDUDCK-UHFFFAOYSA-N 0 0 416.466 4.426 50 5 HIBARN CCNC(=O)CSc1nc2cc([N+](=O)[O-])ccc2n1-c1cccc(C(F)(F)F)c1 ZINC000008686031 571101668 /nfs/dbraw/zinc/10/16/68/571101668.db2.gz YYAHKNVOMMNDOX-UHFFFAOYSA-N 0 0 424.404 4.181 50 5 HIBARN O=[N+]([O-])c1cccc(S(=O)(=O)N2CCS[C@H]2c2ccc(Cl)cc2Cl)c1 ZINC000008763761 571114754 /nfs/dbraw/zinc/11/47/54/571114754.db2.gz HYDLKSUINLPXQX-HNNXBMFYSA-N 0 0 419.311 4.338 50 5 HIBARN CC1=C(C(=O)Nc2cccc(Cl)c2)[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)NC(=O)N1 ZINC000008843891 571124632 /nfs/dbraw/zinc/12/46/32/571124632.db2.gz PYHXEVISWCYZLC-MRXNPFEDSA-N 0 0 421.240 4.168 50 5 HIBARN O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1cc(-c2nnc3n2CCCCC3)ccc1F ZINC000040049504 571142163 /nfs/dbraw/zinc/14/21/63/571142163.db2.gz SQGFDQZLIGSBCP-DHZHZOJOSA-N 0 0 421.432 4.371 50 5 HIBARN O=[N+]([O-])c1cccc(OCCSc2nnc(-c3cccnc3)n2Cc2ccco2)c1 ZINC000040127348 571179069 /nfs/dbraw/zinc/17/90/69/571179069.db2.gz BLLAXGOYYJATDV-UHFFFAOYSA-N 0 0 423.454 4.061 50 5 HIBARN Cc1c(CSc2nc3ccccc3c(=O)n2C[C@@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000040127420 571179263 /nfs/dbraw/zinc/17/92/63/571179263.db2.gz OEHNGMDJPNJKND-INIZCTEOSA-N 0 0 411.483 4.084 50 5 HIBARN CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CC(C)(C)Cc3oc(C)cc32)cc1OC ZINC000040142582 571193313 /nfs/dbraw/zinc/19/33/13/571193313.db2.gz YRXBIJOUECHQAX-HNNXBMFYSA-N 0 0 402.447 4.347 50 5 HIBARN CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)c1C ZINC000009254761 571243361 /nfs/dbraw/zinc/24/33/61/571243361.db2.gz CSBJSMHGBBEOJL-CQSZACIVSA-N 0 0 424.409 4.431 50 5 HIBARN O=C(c1ccc(Br)cc1)N1CCN=C1SCc1cccc([N+](=O)[O-])c1 ZINC000009381105 571253825 /nfs/dbraw/zinc/25/38/25/571253825.db2.gz KXKFDHIJRHJVQC-UHFFFAOYSA-N 0 0 420.288 4.103 50 5 HIBARN O=C(COC(=O)c1ccc([N+](=O)[O-])s1)Nc1c(Cl)cccc1C(F)(F)F ZINC000009439078 571258943 /nfs/dbraw/zinc/25/89/43/571258943.db2.gz QFSXZHIJKHVMHP-UHFFFAOYSA-N 0 0 408.741 4.124 50 5 HIBARN Cc1nn2c(-c3ccccc3NC(=O)c3ccc([N+](=O)[O-])cc3)nnc2c2ccccc12 ZINC000009449184 571259835 /nfs/dbraw/zinc/25/98/35/571259835.db2.gz NESKFIQCIMZETN-UHFFFAOYSA-N 0 0 424.420 4.413 50 5 HIBARN COc1ccc2sc(N(Cc3ccccn3)C(=O)c3cccc([N+](=O)[O-])c3)nc2c1 ZINC000010187591 571296053 /nfs/dbraw/zinc/29/60/53/571296053.db2.gz IANAWIXAUPUOHN-UHFFFAOYSA-N 0 0 420.450 4.455 50 5 HIBARN O=C(Nc1nnc(COc2ccc([N+](=O)[O-])cc2)s1)Nc1cccc(Cl)c1 ZINC000008742720 571307696 /nfs/dbraw/zinc/30/76/96/571307696.db2.gz BTPKSBVYMHVSSY-UHFFFAOYSA-N 0 0 405.823 4.323 50 5 HIBARN O=C([O-])c1ccc(N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000004054085 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O=c1c2c(nc(SCc3ccc(F)cc3)n1-c1ccc([N+](=O)[O-])cc1)CCS2 ZINC000002459600 568771479 /nfs/dbraw/zinc/77/14/79/568771479.db2.gz KDFHFOVIZBSZQR-UHFFFAOYSA-N 0 0 415.471 4.220 50 5 HIBARN CCOC(=O)COc1ccc2c(=O)c(Oc3ccc([N+](=O)[O-])cc3)c(C)oc2c1C ZINC000001129585 568772979 /nfs/dbraw/zinc/77/29/79/568772979.db2.gz KMXXGFAQEXBZMM-UHFFFAOYSA-N 0 0 413.382 4.052 50 5 HIBARN O=C(Nc1c2c(nn1-c1ccc(Cl)cc1)CSC2)c1cccc([N+](=O)[O-])c1 ZINC000002474936 568773815 /nfs/dbraw/zinc/77/38/15/568773815.db2.gz BZWQKFGYMTUMRZ-UHFFFAOYSA-N 0 0 400.847 4.433 50 5 HIBARN CCOc1ccc(C(=O)Nc2ccc3oc(-c4cccnc4)nc3c2)cc1[N+](=O)[O-] ZINC000001164653 568775154 /nfs/dbraw/zinc/77/51/54/568775154.db2.gz CBZWMTVBEPVPAI-UHFFFAOYSA-N 0 0 404.382 4.449 50 5 HIBARN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)NC(c1ccccc1)c1ccccc1 ZINC000002532743 568780728 /nfs/dbraw/zinc/78/07/28/568780728.db2.gz UZYQXDVKNCRKLG-UHFFFAOYSA-N 0 0 402.859 4.316 50 5 HIBARN CCCOC(=O)c1c(NC(=O)/C=C/c2ccc([N+](=O)[O-])o2)sc2c1CCCC2 ZINC000002764044 568807047 /nfs/dbraw/zinc/80/70/47/568807047.db2.gz OIEOGOUDFOOSAV-VQHVLOKHSA-N 0 0 404.444 4.347 50 5 HIBARN Cc1nn(Cc2ccccc2C(=O)Nc2c(F)c(F)cc(F)c2F)c(C)c1[N+](=O)[O-] ZINC000002796337 568810587 /nfs/dbraw/zinc/81/05/87/568810587.db2.gz CTJSBSIQCNHSEC-UHFFFAOYSA-N 0 0 422.338 4.265 50 5 HIBARN CCCCNC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)NC(=O)c1cccc2ccccc21 ZINC000002821620 568812260 /nfs/dbraw/zinc/81/22/60/568812260.db2.gz OOVSBCQRWBXERZ-JWGURIENSA-N 0 0 417.465 4.435 50 5 HIBARN O=C(COc1ccccc1[N+](=O)[O-])Nc1cc(C(F)(F)F)ccc1N1CCCC1 ZINC000002884945 568814284 /nfs/dbraw/zinc/81/42/84/568814284.db2.gz IHAWOXWXRAXZKJ-UHFFFAOYSA-N 0 0 409.364 4.231 50 5 HIBARN CCOC(=O)CN1c2ccccc2C(C)(C)[C@]12C=Cc1cc([N+](=O)[O-])cc(OC)c1O2 ZINC000002910745 568815842 /nfs/dbraw/zinc/81/58/42/568815842.db2.gz HKOGKXZXSOANBD-HSZRJFAPSA-N 0 0 424.453 4.066 50 5 HIBARN O=C(CSc1ncnc2ccccc21)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000005835918 568825307 /nfs/dbraw/zinc/82/53/07/568825307.db2.gz DLMNFTOBGYOYJW-UHFFFAOYSA-N 0 0 408.361 4.288 50 5 HIBARN C[C@H](NC(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1cccs1 ZINC000029676438 568828569 /nfs/dbraw/zinc/82/85/69/568828569.db2.gz RXNPAAMDYONJAQ-JTQLQIEISA-N 0 0 402.398 4.147 50 5 HIBARN O=C(NC(=S)N(Cc1ccccc1)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000002999193 568836327 /nfs/dbraw/zinc/83/63/27/568836327.db2.gz HNEGMOAUMXLLNH-UHFFFAOYSA-N 0 0 405.479 4.312 50 5 HIBARN CCCCOc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000012564125 568859534 /nfs/dbraw/zinc/85/95/34/568859534.db2.gz FVSYEWBPYWMSJQ-FQEVSTJZSA-N 0 0 424.457 4.040 50 5 HIBARN Cc1nc(-c2ccc3c(c2)CCN3CC(=O)Nc2cccc([N+](=O)[O-])c2C)cs1 ZINC000012565351 568860033 /nfs/dbraw/zinc/86/00/33/568860033.db2.gz QVHFLVAUOUHDNC-UHFFFAOYSA-N 0 0 408.483 4.336 50 5 HIBARN COc1ccc2nc(NC(=O)/C=C/c3cc([N+](=O)[O-])ccc3OC(F)F)sc2c1 ZINC000003196979 568860536 /nfs/dbraw/zinc/86/05/36/568860536.db2.gz CZFMUGFQFMWSGC-FARCUNLSSA-N 0 0 421.381 4.466 50 5 HIBARN C[C@H]1CCc2c(sc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)c2C(N)=O)C1 ZINC000003226565 568863344 /nfs/dbraw/zinc/86/33/44/568863344.db2.gz LYRXUNRCLPYMPT-VIFPVBQESA-N 0 0 415.496 4.347 50 5 HIBARN Cc1cc(C)nc(SCC(=O)N(C)Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)n1 ZINC000003237968 568865888 /nfs/dbraw/zinc/86/58/88/568865888.db2.gz CJLPUXUCUSYQRO-UHFFFAOYSA-N 0 0 412.471 4.012 50 5 HIBARN O=[N+]([O-])c1cc(COc2ncnc3c(Cl)cc(Cl)cc23)c2c(c1)COCO2 ZINC000003311009 568878340 /nfs/dbraw/zinc/87/83/40/568878340.db2.gz BIMSWBWIGXCWQI-UHFFFAOYSA-N 0 0 408.197 4.290 50 5 HIBARN COc1ccc(C(=O)N[C@H](Nc2cccc([N+](=O)[O-])c2)C(Cl)(Cl)Cl)cc1 ZINC000001232860 568880671 /nfs/dbraw/zinc/88/06/71/568880671.db2.gz FZNZJMSQGWPGKO-HNNXBMFYSA-N 0 0 418.664 4.142 50 5 HIBARN Cc1ccc(N[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2)C(Cl)(Cl)Cl)cc1 ZINC000001232865 568880911 /nfs/dbraw/zinc/88/09/11/568880911.db2.gz PRFGKAPGPVDBRI-HNNXBMFYSA-N 0 0 402.665 4.441 50 5 HIBARN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1CN1CCSCC1 ZINC000058139258 568889914 /nfs/dbraw/zinc/88/99/14/568889914.db2.gz CKPISKCWYAQEHF-HNNXBMFYSA-N 0 0 417.556 4.263 50 5 HIBARN O=[N+]([O-])c1ccc(N2CCC[C@H](c3nc(-c4cccc(F)c4)no3)C2)c([N+](=O)[O-])c1 ZINC000058167202 568894447 /nfs/dbraw/zinc/89/44/47/568894447.db2.gz HIYVVNAIZXIKQY-ZDUSSCGKSA-N 0 0 413.365 4.076 50 5 HIBARN C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N(C)Cc1ccc(OC(F)F)cc1 ZINC000003396954 568895486 /nfs/dbraw/zinc/89/54/86/568895486.db2.gz KHOYEDUIIJMCRF-NSHDSACASA-N 0 0 413.808 4.309 50 5 HIBARN C[C@@H](OC(=O)c1cc2c(s1)CCCC2)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000003441660 568903823 /nfs/dbraw/zinc/90/38/23/568903823.db2.gz DUNVLNKGLFMKJQ-SNVBAGLBSA-N 0 0 408.863 4.373 50 5 HIBARN C[C@@H](OC(=O)C1(c2ccc(F)cc2)CCCC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000003525383 568912500 /nfs/dbraw/zinc/91/25/00/568912500.db2.gz RSAPSPOJQWJEQW-CQSZACIVSA-N 0 0 400.406 4.116 50 5 HIBARN O=C(Nc1ccc2oc(-c3cc(F)ccc3Br)nc2c1)[C@H]1CC1[N+](=O)[O-] ZINC000058430305 568918007 /nfs/dbraw/zinc/91/80/07/568918007.db2.gz FJVYGFCEKPDKPA-FZMZJTMJSA-N 0 0 420.194 4.000 50 5 HIBARN O=C(Oc1ccc(-c2cnc3ccccc3n2)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000004017349 568933335 /nfs/dbraw/zinc/93/33/35/568933335.db2.gz LNRWSTYTALBJQM-UHFFFAOYSA-N 0 0 416.349 4.332 50 5 HIBARN O=C(Cc1ccccc1)N[C@H](Nc1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)Cl ZINC000004032050 568934627 /nfs/dbraw/zinc/93/46/27/568934627.db2.gz OJYCRKQVGIMMPV-HNNXBMFYSA-N 0 0 402.665 4.062 50 5 HIBARN O=C(NC[C@H](O)c1ccccc1)c1cc([N+](=O)[O-])cc2c1C=Cc1ccccc1O2 ZINC000001426750 568939215 /nfs/dbraw/zinc/93/92/15/568939215.db2.gz PAODHJAHSLKMKE-FQEVSTJZSA-N 0 0 402.406 4.334 50 5 HIBARN O=C(c1ccc([N+](=O)[O-])cc1)N1CCN=C1SCc1ccc(C(F)(F)F)cc1 ZINC000004120473 568944868 /nfs/dbraw/zinc/94/48/68/568944868.db2.gz FRBDUIKDUQBAGP-UHFFFAOYSA-N 0 0 409.389 4.359 50 5 HIBARN C[C@H](CCc1nc2ccccc2s1)OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000004135360 568945519 /nfs/dbraw/zinc/94/55/19/568945519.db2.gz 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CCOC(=O)c1cc(C(=O)N(C)[C@@H](C)c2nc3ccccc3s2)cc([N+](=O)[O-])c1 ZINC000008347352 568994872 /nfs/dbraw/zinc/99/48/72/568994872.db2.gz SAEBGXJFNXRMEV-LBPRGKRZSA-N 0 0 413.455 4.214 50 5 HIBARN O=C(c1sc2nccc3c2c1nnn3Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000008453973 569003833 /nfs/dbraw/zinc/00/38/33/569003833.db2.gz UJUFTFFYIVXSCG-UHFFFAOYSA-N 0 0 415.434 4.229 50 5 HIBARN O=C(COc1cc(F)ccc1[N+](=O)[O-])N[C@@H](c1cccs1)c1ccc(F)cc1 ZINC000008469862 569004336 /nfs/dbraw/zinc/00/43/36/569004336.db2.gz OITHVWMFDYCLLU-LJQANCHMSA-N 0 0 404.394 4.219 50 5 HIBARN O=C(CSc1nccn1Cc1ccccc1Cl)Nc1ccc([N+](=O)[O-])cc1 ZINC000015825520 569011350 /nfs/dbraw/zinc/01/13/50/569011350.db2.gz CKJDGBLLNFEHRH-UHFFFAOYSA-N 0 0 402.863 4.224 50 5 HIBARN CN(c1ccc(O)cc1)[C@H]1NC(=O)/C(=C/C(Cl)=C/c2ccc([N+](=O)[O-])cc2)S1 ZINC000006151124 569015078 /nfs/dbraw/zinc/01/50/78/569015078.db2.gz ASZDMAXEEDRUBH-ZAQSUEEXSA-N 0 0 417.874 4.047 50 5 HIBARN O=C(CCCCCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)Nc1ccc(Cl)cc1 ZINC000001807642 569053595 /nfs/dbraw/zinc/05/35/95/569053595.db2.gz XBFWTLURUXAPSI-UHFFFAOYSA-N 0 0 415.833 4.043 50 5 HIBARN O=C(CSc1nc2cc([N+](=O)[O-])ccc2n1-c1ccc(F)cc1)N1CCCCC1 ZINC000006506818 569061721 /nfs/dbraw/zinc/06/17/21/569061721.db2.gz SGSMHWMAUGGBMA-UHFFFAOYSA-N 0 0 414.462 4.177 50 5 HIBARN O=C(/C=C/c1cc2c(cc1[N+](=O)[O-])OCO2)OCc1cc2ccccc2nc1Cl ZINC000006607772 569069672 /nfs/dbraw/zinc/06/96/72/569069672.db2.gz SUFINJINVIXVAY-AATRIKPKSA-N 0 0 412.785 4.282 50 5 HIBARN COc1cccc(N(Cc2cccc(C)c2)S(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000036247973 569116484 /nfs/dbraw/zinc/11/64/84/569116484.db2.gz GOQQZNAAQMQVRZ-UHFFFAOYSA-N 0 0 412.467 4.307 50 5 HIBARN COc1cccc(CN(c2ccc(C)cc2)S(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000036247871 569117224 /nfs/dbraw/zinc/11/72/24/569117224.db2.gz BGYJZXXIYZBQFB-UHFFFAOYSA-N 0 0 412.467 4.307 50 5 HIBARN C[C@H](Nc1cccc(OC[C@@H]2CCCO2)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000036394228 569168056 /nfs/dbraw/zinc/16/80/56/569168056.db2.gz 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Cc1ccc([C@H]2Nc3ccccc3C(=O)N2Cc2ccc3c(c2)OCO3)cc1[N+](=O)[O-] ZINC000007889593 569315261 /nfs/dbraw/zinc/31/52/61/569315261.db2.gz HEJLEEZGXJLRPY-QFIPXVFZSA-N 0 0 417.421 4.399 50 5 HIBARN COc1ccc(-n2c3nc4ccccc4nc3c3c2ncn(C2CCCC2)c3=O)cc1 ZINC000002246827 569324229 /nfs/dbraw/zinc/32/42/29/569324229.db2.gz XRENNNSNDGCANG-UHFFFAOYSA-N 0 0 411.465 4.407 50 5 HIBARN CCOC(=O)c1ccc(N[C@@H](c2cccc([N+](=O)[O-])c2)P(=O)(OC)OC)cc1 ZINC000002296753 569369484 /nfs/dbraw/zinc/36/94/84/569369484.db2.gz YZQYLJIWLBCESW-QGZVFWFLSA-N 0 0 408.347 4.368 50 5 HIBARN Cc1ccccc1CSc1nnc(NC(=O)COc2ccccc2[N+](=O)[O-])s1 ZINC000008917600 569390961 /nfs/dbraw/zinc/39/09/61/569390961.db2.gz BZTBLIRUSLXHAO-UHFFFAOYSA-N 0 0 416.484 4.065 50 5 HIBARN COc1cccc(-n2c3nc4ccccc4nc3c3c2ncn(CCC(C)C)c3=O)c1 ZINC000002431827 569399153 /nfs/dbraw/zinc/39/91/53/569399153.db2.gz PHJSRNFSIGZKMY-UHFFFAOYSA-N 0 0 413.481 4.338 50 5 HIBARN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@H]1c1nc2ccccc2s1 ZINC000012979261 569405778 /nfs/dbraw/zinc/40/57/78/569405778.db2.gz HUDORYHNZKEHCA-HNNXBMFYSA-N 0 0 403.485 4.039 50 5 HIBARN COc1ccc([C@H]2CCCCCN2CC(=O)Nc2ccc(F)cc2[N+](=O)[O-])cc1 ZINC000012999188 569406319 /nfs/dbraw/zinc/40/63/19/569406319.db2.gz QYPRNJORPZXCAO-LJQANCHMSA-N 0 0 401.438 4.298 50 5 HIBARN CC1(C)CO[C@H](c2ccccc2Cl)CN1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000078806221 569420559 /nfs/dbraw/zinc/42/05/59/569420559.db2.gz GYDFYQHFDZDSIB-SFHVURJKSA-N 0 0 403.866 4.039 50 5 HIBARN O=C(C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)N1C[C@@H]2CC=CC[C@@H]2C1 ZINC000078874721 569421098 /nfs/dbraw/zinc/42/10/98/569421098.db2.gz ZSMBXVHXEQMOIY-IYBDPMFKSA-N 0 0 423.435 4.255 50 5 HIBARN Cc1cc(C2=CCN([C@H](C)c3nc(-c4cccs4)no3)CC2)cc([N+](=O)[O-])c1N ZINC000078969940 569422394 /nfs/dbraw/zinc/42/23/94/569422394.db2.gz MSVLKMXRHRFZDD-CYBMUJFWSA-N 0 0 411.487 4.447 50 5 HIBARN C[C@@H](c1ccccc1)N1C(=O)[C@@H]2[C@@H](C1=O)C1c3ccccc3C2([N+](=O)[O-])c2ccccc21 ZINC000008721029 571107020 /nfs/dbraw/zinc/10/70/20/571107020.db2.gz KSAGMQGUJRTNNG-PBTYWQTQSA-N 0 0 424.456 4.028 50 5 HIBARN CCOc1ccc(C(=O)NCc2ccc(-c3nc4ncccc4o3)cc2)cc1[N+](=O)[O-] ZINC000008914257 571150176 /nfs/dbraw/zinc/15/01/76/571150176.db2.gz WETFMTNEHYAXKS-UHFFFAOYSA-N 0 0 418.409 4.127 50 5 HIBARN O=c1c2ccccc2nc(/C=C/c2ccc([N+](=O)[O-])cc2)n1-c1cccc([N+](=O)[O-])c1 ZINC000009035959 571213226 /nfs/dbraw/zinc/21/32/26/571213226.db2.gz QFKBGEWHHLIIKQ-JLHYYAGUSA-N 0 0 414.377 4.373 50 5 HIBARN Cc1noc(/C=C/c2ccc(OCC(=O)Nc3ccc(F)cc3F)cc2)c1[N+](=O)[O-] ZINC000009235643 571239993 /nfs/dbraw/zinc/23/99/93/571239993.db2.gz QBJFPVDDQZCYMF-RUDMXATFSA-N 0 0 415.352 4.357 50 5 HIBARN COc1ccc([C@H]2Nc3c(sc(=S)n3-c3ccccc3)C(=O)N2)cc1[N+](=O)[O-] ZINC000009236357 571240254 /nfs/dbraw/zinc/24/02/54/571240254.db2.gz KAVQYYATRPEQHY-HNNXBMFYSA-N 0 0 414.468 4.039 50 5 HIBARN COc1cc(NC(=O)COC(=O)c2cc(SC)ccc2Cl)c(C)cc1[N+](=O)[O-] ZINC000009509603 571264028 /nfs/dbraw/zinc/26/40/28/571264028.db2.gz NBPKJRYGHIGPDO-UHFFFAOYSA-N 0 0 424.862 4.083 50 5 HIBARN O=C(Nc1cccc([N+](=O)[O-])c1)c1cccn(Cc2ccc(Cl)cc2Cl)c1=O ZINC000010187828 571296240 /nfs/dbraw/zinc/29/62/40/571296240.db2.gz JBTLQDHCGGDCTR-UHFFFAOYSA-N 0 0 418.236 4.364 50 5 HIBARN CCOc1cc(C(=S)N2CCCCC2)ccc1OC(=O)c1ccccc1[N+](=O)[O-] ZINC000002810738 845008377 /nfs/dbraw/zinc/00/83/77/845008377.db2.gz DOFMTSXPTOZBRU-UHFFFAOYSA-N 0 0 414.483 4.374 50 5 HIBARN COc1cc(/C=C2/N=C(c3cc(Cl)cc([N+](=O)[O-])c3)OC2=O)ccc1OC(F)F ZINC000003338048 845012366 /nfs/dbraw/zinc/01/23/66/845012366.db2.gz YVORPZFWOGJOSW-YIXHJXPBSA-N 0 0 424.743 4.203 50 5 HIBARN COc1ccc(CN2C(=O)c3ccccc3/C(=C/c3ccc([N+](=O)[O-])cc3)C2=O)cc1 ZINC000003373395 845014065 /nfs/dbraw/zinc/01/40/65/845014065.db2.gz DEIWPEIRJLYJJR-HMAPJEAMSA-N 0 0 414.417 4.327 50 5 HIBARN Cc1ccc2c(c1)/C(=C\c1nc3ccccc3c(=O)n1-c1ccccc1[N+](=O)[O-])C(=O)N2 ZINC000032625305 848054512 /nfs/dbraw/zinc/05/45/12/848054512.db2.gz VNCNKWHZODSFOZ-GHRIWEEISA-N 0 0 424.416 4.095 50 5 HIBARN C[C@H]1CCc2c(sc3nc(COC(=O)/C=C\c4cccc([N+](=O)[O-])c4)nc(N)c32)C1 ZINC000096927111 852558986 /nfs/dbraw/zinc/55/89/86/852558986.db2.gz HIWASNJYBXPKEY-VFFGBVLKSA-N 0 0 424.482 4.063 50 5 HIBARN O=C(c1ccc(Cl)cc1)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000004543678 132278358 /nfs/dbraw/zinc/27/83/58/132278358.db2.gz HXVCLLXOIWVIDL-UHFFFAOYSA-N 0 0 413.783 4.229 50 5 HIBARN O=[N+]([O-])c1ccc(N2CCN(C(=S)Nc3ccc(Cl)cc3Cl)CC2)cc1 ZINC000004550658 132278371 /nfs/dbraw/zinc/27/83/71/132278371.db2.gz SDEUHZQYTKNQNB-UHFFFAOYSA-N 0 0 411.314 4.421 50 5 HIBARN C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000005065577 132300282 /nfs/dbraw/zinc/30/02/82/132300282.db2.gz JATYSKMEAHVSHL-QGZVFWFLSA-N 0 0 411.502 4.008 50 5 HIBARN CN(c1ccccc1)c1nc(N)c([N+](=O)[O-])c(N2CCC(Cc3ccccc3)CC2)n1 ZINC000005137859 132302978 /nfs/dbraw/zinc/30/29/78/132302978.db2.gz YSBBLCWLVMKDQB-UHFFFAOYSA-N 0 0 418.501 4.194 50 5 HIBARN Nc1nc(Nc2ccccc2F)nc(N2CCC(Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000009328078 132338662 /nfs/dbraw/zinc/33/86/62/132338662.db2.gz CSPRHNPUMZRHSB-UHFFFAOYSA-N 0 0 422.464 4.309 50 5 HIBARN O=C(c1ccc2ccccc2c1)N1CCN(c2ccc([N+](=O)[O-])c3cnccc32)CC1 ZINC000010485142 132345972 /nfs/dbraw/zinc/34/59/72/132345972.db2.gz FBXNHJWVMSLFCW-UHFFFAOYSA-N 0 0 412.449 4.259 50 5 HIBARN O=C(Nc1cc2c(cc1Cl)OCO2)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000016477371 132463926 /nfs/dbraw/zinc/46/39/26/132463926.db2.gz KBZXJNVJCGHJDG-UHFFFAOYSA-N 0 0 403.822 4.220 50 5 HIBARN CNc1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccc3c(c2)OCO3)cc1[N+](=O)[O-] ZINC000021051231 132472076 /nfs/dbraw/zinc/47/20/76/132472076.db2.gz ARCYQMKDZLATOH-NRFANRHFSA-N 0 0 418.409 4.136 50 5 HIBARN CC(C)(C)CNc1cc(N2CCN(C(=O)c3ccc(F)cc3)CC2)ccc1[N+](=O)[O-] ZINC000004125009 534613467 /nfs/dbraw/zinc/61/34/67/534613467.db2.gz IRGDXLJWFFEIIK-UHFFFAOYSA-N 0 0 414.481 4.154 50 5 HIBARN COc1cc(Cl)c(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1OC ZINC000014809726 522525673 /nfs/dbraw/zinc/52/56/73/522525673.db2.gz LAJVZYANOLDURT-UHFFFAOYSA-N 0 0 422.868 4.464 50 5 HIBARN Cc1ccc(-n2c(-c3cccc([N+](=O)[O-])c3)cnc2SCC(=O)N2CCCC2)cc1 ZINC000044086544 525892220 /nfs/dbraw/zinc/89/22/20/525892220.db2.gz LZFJSMMNDQWQNF-UHFFFAOYSA-N 0 0 422.510 4.470 50 5 HIBARN O=C(c1cc2c(cc1[N+](=O)[O-])OCO2)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000032796636 526631588 /nfs/dbraw/zinc/63/15/88/526631588.db2.gz BQZFNEZZNAQPBJ-UHFFFAOYSA-N 0 0 408.332 4.147 50 5 HIBARN CCOC(=O)C1CCN(c2ccc([N+](=O)[O-])cc2C(=O)c2ccc(Cl)cc2)CC1 ZINC000004499259 535602995 /nfs/dbraw/zinc/60/29/95/535602995.db2.gz RCLDTEHOJXMQPY-UHFFFAOYSA-N 0 0 416.861 4.259 50 5 HIBARN C[C@H]1CCc2c(sc3nc4c5ccccc5c(NC[C@@H]5CCCO5)nn4c(=O)c23)C1 ZINC000000632164 557027237 /nfs/dbraw/zinc/02/72/37/557027237.db2.gz CXGZYKSYHLXTMN-KBPBESRZSA-N 0 0 420.538 4.173 50 5 HIBARN CCCCn1c(=O)nc2n(-c3cccc(Cl)c3)c3ccc([N+](=O)[O-])cc3cc-2c1=O ZINC000003771651 557498563 /nfs/dbraw/zinc/49/85/63/557498563.db2.gz QPPFBTSWHMWBIW-UHFFFAOYSA-N 0 0 424.844 4.014 50 5 HIBARN O=c1c2ccc3c4nc5ccccc5n4c(=O)c4ccc(c5nc6ccccc6n51)c2c34 ZINC000004256036 557532549 /nfs/dbraw/zinc/53/25/49/557532549.db2.gz DGBWPZSGHAXYGK-UHFFFAOYSA-N 0 0 412.408 4.344 50 5 HIBARN O=c1c2ccc3c(=O)n4c5ccccc5nc4c4ccc(c5nc6ccccc6n51)c2c43 ZINC000004552178 557566046 /nfs/dbraw/zinc/56/60/46/557566046.db2.gz YMEPVPIIHONYLV-UHFFFAOYSA-N 0 0 412.408 4.344 50 5 HIBARN COCCNc1nc2c3sc4nc(C(F)(F)F)cc(C)c4c3[nH]c(=O)c2s1 ZINC000020607472 558388469 /nfs/dbraw/zinc/38/84/69/558388469.db2.gz RSWBUYXAOPXOTC-UHFFFAOYSA-N 0 0 414.434 4.133 50 5 HIBARN COc1ccc([N+](=O)[O-])cc1OC(=O)c1c2c(sc1-n1cccc1)CSCC2 ZINC000071924297 558423677 /nfs/dbraw/zinc/42/36/77/558423677.db2.gz KSTLXZFKWHMUQB-UHFFFAOYSA-N 0 0 416.480 4.464 50 5 HIBARN CN(C(=O)CN1CCc2sccc2[C@@H]1c1cccs1)c1ccc([N+](=O)[O-])cc1 ZINC000012862875 558481363 /nfs/dbraw/zinc/48/13/63/558481363.db2.gz FCTDSKWGTQVIEH-HXUWFJFHSA-N 0 0 413.524 4.328 50 5 HIBARN CCN1c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)cc2OCC(C)(C)C1=O ZINC000010972350 558633326 /nfs/dbraw/zinc/63/33/26/558633326.db2.gz JVDNCETXSMXAME-UHFFFAOYSA-N 0 0 417.849 4.272 50 5 HIBARN Cc1cccc(NC(=O)CCCC(=O)OCC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000004520476 558651920 /nfs/dbraw/zinc/65/19/20/558651920.db2.gz DXWMJVMZZFPVAC-UHFFFAOYSA-N 0 0 418.833 4.092 50 5 HIBARN Cc1nc2ccccc2c(=O)n1-c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000004585462 558784168 /nfs/dbraw/zinc/78/41/68/558784168.db2.gz ASKKMPXMCHKMTR-UHFFFAOYSA-N 0 0 414.421 4.163 50 5 HIBARN CCOC(=O)C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccccc1Cl ZINC000004653469 558869166 /nfs/dbraw/zinc/86/91/66/558869166.db2.gz USUUYZSVOZECGU-MRXNPFEDSA-N 0 0 411.241 4.326 50 5 HIBARN Cc1cccc(C(C)(C)C)c1Sc1cc(N(C)CCO)c([N+](=O)[O-])c2nonc21 ZINC000004672883 558884792 /nfs/dbraw/zinc/88/47/92/558884792.db2.gz IKTXKPCDGQKKRP-UHFFFAOYSA-N 0 0 416.503 4.317 50 5 HIBARN O=C(NCCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000004687363 558893725 /nfs/dbraw/zinc/89/37/25/558893725.db2.gz XNULUHXCHSUXFP-UHFFFAOYSA-N 0 0 401.772 4.499 50 5 HIBARN COc1cc(/C=C2/SC(=O)N(C(C)C)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000004704784 558912324 /nfs/dbraw/zinc/91/23/24/558912324.db2.gz QEGJEXUIPHVLSZ-CXUHLZMHSA-N 0 0 415.427 4.235 50 5 HIBARN Cc1ccc(C(=O)NC(=S)Nc2nc3ccc([N+](=O)[O-])cc3s2)c(Cl)c1 ZINC000004723333 558922562 /nfs/dbraw/zinc/92/25/62/558922562.db2.gz PFPPYHUJRMJONX-UHFFFAOYSA-N 0 0 406.876 4.293 50 5 HIBARN CCN(CC)C(=O)C1=C(C)Nc2nc3ccccc3n2[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000004787133 559064093 /nfs/dbraw/zinc/06/40/93/559064093.db2.gz KAHZEULXTALMCV-FQEVSTJZSA-N 0 0 405.458 4.102 50 5 HIBARN Cc1ccc(-c2nc(NCc3ccco3)n(C(=O)c3ccccc3[N+](=O)[O-])n2)cc1 ZINC000004827660 559147414 /nfs/dbraw/zinc/14/74/14/559147414.db2.gz MLUNBIAXLRRGSB-UHFFFAOYSA-N 0 0 403.398 4.055 50 5 HIBARN Cc1[nH]c2ccccc2c1C(=O)COC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000004840242 559167169 /nfs/dbraw/zinc/16/71/69/559167169.db2.gz RLECXSAJUFWIGW-UHFFFAOYSA-N 0 0 407.426 4.024 50 5 HIBARN CC(C)CN(CC(C)C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CCCCCC1 ZINC000004844578 559169263 /nfs/dbraw/zinc/16/92/63/559169263.db2.gz UZGQXFUTGDSISR-UHFFFAOYSA-N 0 0 411.568 4.278 50 5 HIBARN Cc1ccc(-n2c(Sc3ccc([N+](=O)[O-])cn3)nnc2-c2cccnc2)c(C)c1 ZINC000023615146 559178153 /nfs/dbraw/zinc/17/81/53/559178153.db2.gz RZBPPZWBAVGTBH-UHFFFAOYSA-N 0 0 404.455 4.401 50 5 HIBARN CC(C)(C)N(Cc1ccccc1)C(=O)COC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000005044046 559236340 /nfs/dbraw/zinc/23/63/40/559236340.db2.gz FXASXGCAJRPCMM-UHFFFAOYSA-N 0 0 404.850 4.232 50 5 HIBARN Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1ccc([N+](=O)[O-])cc1)N(c1ccccn1)C3=O ZINC000005215525 560543111 /nfs/dbraw/zinc/54/31/11/560543111.db2.gz ZXNZDIVDRZFHTC-FQEVSTJZSA-N 0 0 413.389 4.154 50 5 HIBARN COc1ccc(-n2cc(OC(C)=O)c3c4nc5ccccc5n4c(C)nc32)cc1OC ZINC000005236102 560548495 /nfs/dbraw/zinc/54/84/95/560548495.db2.gz ZVWLUKHCNSFIIU-UHFFFAOYSA-N 0 0 416.437 4.077 50 5 HIBARN COCCCn1c(C)cc(C(=O)COc2ccc3[nH]c4ccccc4c(=O)c3c2)c1C ZINC000005267120 560553878 /nfs/dbraw/zinc/55/38/78/560553878.db2.gz PTXHRKBYTFUMRF-UHFFFAOYSA-N 0 0 418.493 4.398 50 5 HIBARN Cc1ccc(C)c(Cn2cccc(C(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)c2=O)c1 ZINC000005270125 560560510 /nfs/dbraw/zinc/56/05/10/560560510.db2.gz ZBZSDBISASCDGY-UHFFFAOYSA-N 0 0 411.845 4.327 50 5 HIBARN CC1(C)c2cc([N+](=O)[O-])ccc2N(CCO)[C@]12C=Cc1cc([N+](=O)[O-])ccc1S2 ZINC000005305255 560563296 /nfs/dbraw/zinc/56/32/96/560563296.db2.gz BNTINHWWMGSBLU-FQEVSTJZSA-N 0 0 413.455 4.108 50 5 HIBARN COc1ccc(Cn2cc(OC(C)=O)c3c4nc5ccccc5n4c(C)nc32)cc1 ZINC000005453496 560589560 /nfs/dbraw/zinc/58/95/60/560589560.db2.gz FXODPKZVHZCTIY-UHFFFAOYSA-N 0 0 400.438 4.128 50 5 HIBARN O=C(Cn1cc([N+](=O)[O-])ccc1=O)c1ccc(-c2ccc(Br)cc2)cc1 ZINC000014705375 560605799 /nfs/dbraw/zinc/60/57/99/560605799.db2.gz QUTOTUMXBJSUTD-UHFFFAOYSA-N 0 0 413.227 4.069 50 5 HIBARN O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N(Cc1ccccc1)c1ccccn1 ZINC000005572077 560623851 /nfs/dbraw/zinc/62/38/51/560623851.db2.gz ATGMGXWOXYYFMC-UHFFFAOYSA-N 0 0 402.454 4.437 50 5 HIBARN CC(C)[C@@H](NC(=O)c1ccccc1Cl)c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000101718515 560798623 /nfs/dbraw/zinc/79/86/23/560798623.db2.gz ZBSMLPYPXIAUAK-MRXNPFEDSA-N 0 0 400.822 4.425 50 5 HIBARN CCCN(CCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C(=O)c1ccccc1Cl ZINC000103200535 560840687 /nfs/dbraw/zinc/84/06/87/560840687.db2.gz ABJXVXXPDXLBNA-UHFFFAOYSA-N 0 0 414.849 4.393 50 5 HIBARN C[C@@H](OC(=O)c1ccc([N+](=O)[O-])o1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000006416095 560848085 /nfs/dbraw/zinc/84/80/85/560848085.db2.gz GWOYJPHZWSWRIF-SSDOTTSWSA-N 0 0 406.700 4.044 50 5 HIBARN CC(=O)c1ccc(N(C)CCCc2cc(-c3ccc(F)cc3)n(C)n2)c([N+](=O)[O-])c1 ZINC000048299506 568437129 /nfs/dbraw/zinc/43/71/29/568437129.db2.gz MHHDNCYEKLGSND-UHFFFAOYSA-N 0 0 410.449 4.406 50 5 HIBARN O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CCc2sccc2[C@@H]1c1ccccc1 ZINC000048303007 568437899 /nfs/dbraw/zinc/43/78/99/568437899.db2.gz HZHFXAYZECTEDU-FQEVSTJZSA-N 0 0 404.451 4.321 50 5 HIBARN CN(Cc1ccc(-c2ccc(Cl)cc2)o1)S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000048341535 568440360 /nfs/dbraw/zinc/44/03/60/568440360.db2.gz PDWMMKRFVMQBRN-UHFFFAOYSA-N 0 0 420.874 4.470 50 5 HIBARN CC(C)OC(=O)c1c(NC(=O)Cc2ccc([N+](=O)[O-])cc2)sc2c1CCCC2 ZINC000000673738 568460722 /nfs/dbraw/zinc/46/07/22/568460722.db2.gz VOSIUPUWLNASNF-UHFFFAOYSA-N 0 0 402.472 4.282 50 5 HIBARN COC(=O)c1c(-c2ccccc2)csc1NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000000676073 568460748 /nfs/dbraw/zinc/46/07/48/568460748.db2.gz QTPUCXQFGKJVFN-UHFFFAOYSA-N 0 0 412.423 4.127 50 5 HIBARN O=[N+]([O-])c1ccc2sc(SCc3nc4ncccn4c3Br)nc2c1 ZINC000000710233 568465093 /nfs/dbraw/zinc/46/50/93/568465093.db2.gz QMYOAUWTFLEQIK-UHFFFAOYSA-N 0 0 422.289 4.302 50 5 HIBARN Cc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)C2c4ccccc4C3(C)c3ccccc32)cc1[N+](=O)[O-] ZINC000000835822 568501667 /nfs/dbraw/zinc/50/16/67/568501667.db2.gz QRSXZSAPTKDIQA-ZQFKLAOWSA-N 0 0 424.456 4.474 50 5 HIBARN Cc1ccc(N[C@@H](NC(=O)c2ccccc2[N+](=O)[O-])C(Cl)(Cl)Cl)cc1 ZINC000000837029 568501872 /nfs/dbraw/zinc/50/18/72/568501872.db2.gz ZWBIPVNMBIHLFY-HNNXBMFYSA-N 0 0 402.665 4.441 50 5 HIBARN O=C(Nc1cc(-c2cc(F)cc(Br)c2)[nH]n1)c1cccc([N+](=O)[O-])c1 ZINC000095393757 568604430 /nfs/dbraw/zinc/60/44/30/568604430.db2.gz KRSLJCXSDOXBJR-UHFFFAOYSA-N 0 0 405.183 4.139 50 5 HIBARN O=C1NC(=S)SC1=Cc1cc([N+](=O)[O-])ccc1OCCOc1ccccc1 ZINC000020530006 568626562 /nfs/dbraw/zinc/62/65/62/568626562.db2.gz GICHZRQIKUVWJC-LFIBNONCSA-N 0 0 402.453 4.382 50 5 HIBARN O=C(Nc1c2nsnc2ccc1Cl)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000020807968 568643745 /nfs/dbraw/zinc/64/37/45/568643745.db2.gz XXFNUYFIJZZKNR-UHFFFAOYSA-N 0 0 417.878 4.496 50 5 HIBARN CN(Cc1cccc(OC(F)(F)F)c1)C(=O)c1c[nH]c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000096012102 568684433 /nfs/dbraw/zinc/68/44/33/568684433.db2.gz OTTXDKVROOOIAC-UHFFFAOYSA-N 0 0 420.347 4.156 50 5 HIBARN O=C(c1cnn(-c2ccccc2)c1C(F)(F)F)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000024982663 568694397 /nfs/dbraw/zinc/69/43/97/568694397.db2.gz ZPTZOGDFZVWQRA-UHFFFAOYSA-N 0 0 402.332 4.002 50 5 HIBARN O=[N+]([O-])c1cc([C@H]2SCCN2S(=O)(=O)c2ccc(Cl)cc2)ccc1Cl ZINC000000855151 568711633 /nfs/dbraw/zinc/71/16/33/568711633.db2.gz XBMMIYHTKUCYNH-OAHLLOKOSA-N 0 0 419.311 4.338 50 5 HIBARN C[C@H](Sc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)Nc1cccc(Cl)c1 ZINC000000851194 568711845 /nfs/dbraw/zinc/71/18/45/568711845.db2.gz GDYKHPAYOMPLDV-JTQLQIEISA-N 0 0 404.835 4.418 50 5 HIBARN COCCNC(=O)C[C@@H](c1c[nH]c2ccc([N+](=O)[O-])cc21)c1ccc(Cl)cc1 ZINC000096275170 568714244 /nfs/dbraw/zinc/71/42/44/568714244.db2.gz LDAXPGMIDQFQBF-MRXNPFEDSA-N 0 0 401.850 4.014 50 5 HIBARN Cc1ccc(C(=O)N(CCc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC(C)C)cc1 ZINC000096276980 568715543 /nfs/dbraw/zinc/71/55/43/568715543.db2.gz SJHGQPQSYWHNCR-UHFFFAOYSA-N 0 0 408.458 4.294 50 5 HIBARN CC1=C(C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H](c2ccc(C(C)(C)C)cc2)NC(=O)N1 ZINC000005782286 568718694 /nfs/dbraw/zinc/71/86/94/568718694.db2.gz RWWHTZPKGIYWHJ-IBGZPJMESA-N 0 0 408.458 4.159 50 5 HIBARN CC[C@H](C)[C@@H](NC(=O)Cc1ccc(F)cc1)c1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000096290228 568720168 /nfs/dbraw/zinc/72/01/68/568720168.db2.gz VNIFIIVRPUFESN-ORAYPTAESA-N 0 0 412.421 4.230 50 5 HIBARN CC[C@H](C)[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nc(-c2ccc(OC)cc2)no1 ZINC000096293266 568721594 /nfs/dbraw/zinc/72/15/94/568721594.db2.gz GMDRZSYVRDLCDJ-SCLBCKFNSA-N 0 0 410.430 4.171 50 5 HIBARN CC[C@@H](C)N(CCc1nc(-c2ccc(F)cc2)no1)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000096293673 568721975 /nfs/dbraw/zinc/72/19/75/568721975.db2.gz RHYLJTIOAZXEBS-CQSZACIVSA-N 0 0 412.421 4.267 50 5 HIBARN Cc1cc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)n(-c2nc(-c3ccccc3)cs2)n1 ZINC000012441759 568724364 /nfs/dbraw/zinc/72/43/64/568724364.db2.gz USIXFXRNWQLMOL-UHFFFAOYSA-N 0 0 419.466 4.394 50 5 HIBARN COC(=O)c1c(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)sc2c1CC[C@@H](C)C2 ZINC000000943817 568752898 /nfs/dbraw/zinc/75/28/98/568752898.db2.gz VQWLZFNYGGETEB-SECBINFHSA-N 0 0 408.863 4.473 50 5 HIBARN COc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCC2)cc1[N+](=O)[O-] ZINC000001110833 568770610 /nfs/dbraw/zinc/77/06/10/568770610.db2.gz PFYQLFIXHLFJMJ-UHFFFAOYSA-N 0 0 409.364 4.475 50 5 HIBARN Cn1c(SCC(=O)c2ccc([N+](=O)[O-])cc2)nnc1-c1cc2ccccc2cc1O ZINC000001124892 568771472 /nfs/dbraw/zinc/77/14/72/568771472.db2.gz ZRWBEBLXDGTABN-UHFFFAOYSA-N 0 0 420.450 4.224 50 5 HIBARN O=C(Nc1ccccc1C(=O)NCc1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 ZINC000001141217 568772327 /nfs/dbraw/zinc/77/23/27/568772327.db2.gz QEIZRGOIKCLSRO-UHFFFAOYSA-N 0 0 409.829 4.431 50 5 HIBARN O=C(Oc1ccc(Cl)cc1)c1ccccc1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000001136071 568773319 /nfs/dbraw/zinc/77/33/19/568773319.db2.gz CCCOWYZJIIXDKX-UHFFFAOYSA-N 0 0 417.826 4.300 50 5 HIBARN O=C(Nc1cccc([N+](=O)[O-])c1)c1cc(I)ccc1Cl ZINC000001150295 568774090 /nfs/dbraw/zinc/77/40/90/568774090.db2.gz IUIXCQLNACPCND-UHFFFAOYSA-N 0 0 402.575 4.105 50 5 HIBARN Cn1c(SCc2ccccc2Br)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000001158610 568774447 /nfs/dbraw/zinc/77/44/47/568774447.db2.gz IDKORPCVVKPQDI-UHFFFAOYSA-N 0 0 405.277 4.445 50 5 HIBARN COc1ccc(C(=S)N2CCCC2)cc1OC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000001163613 568775521 /nfs/dbraw/zinc/77/55/21/568775521.db2.gz ZXEGUSRKVPQTNW-UHFFFAOYSA-N 0 0 420.874 4.247 50 5 HIBARN Cc1c(-c2ccc(Cl)cc2)nnn1CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000225827013 568782382 /nfs/dbraw/zinc/78/23/82/568782382.db2.gz UZAHOCRFJPJVTB-UHFFFAOYSA-N 0 0 406.229 4.107 50 5 HIBARN Cn1cnnc1Sc1ccc(C(=O)Nc2ccccc2C(C)(C)C)cc1[N+](=O)[O-] ZINC000002618192 568786275 /nfs/dbraw/zinc/78/62/75/568786275.db2.gz LHZYHXGPXSLKBG-UHFFFAOYSA-N 0 0 411.487 4.424 50 5 HIBARN Cc1cc(C(=O)COc2ccc([N+](=O)[O-])cc2)c(C)n1C[C@H]1COc2ccccc2O1 ZINC000002644909 568794695 /nfs/dbraw/zinc/79/46/95/568794695.db2.gz CJOXWBOLQYCVDQ-IBGZPJMESA-N 0 0 422.437 4.115 50 5 HIBARN CC(C)(C)N(Cc1ccccc1)C(=O)COC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000002658516 568798585 /nfs/dbraw/zinc/79/85/85/568798585.db2.gz SPFZQWOGALGBQN-UHFFFAOYSA-N 0 0 404.850 4.232 50 5 HIBARN O=C(CCCc1nc2ccccc2s1)OCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000002660315 568798902 /nfs/dbraw/zinc/79/89/02/568798902.db2.gz SHDVKNYFUZUBBA-UHFFFAOYSA-N 0 0 414.439 4.137 50 5 HIBARN Cc1ccc(C(=O)N2CC(=O)Nc3ccc(F)cc3[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000002685947 568800623 /nfs/dbraw/zinc/80/06/23/568800623.db2.gz YXNONDAKAOBLOO-JOCHJYFZSA-N 0 0 419.412 4.226 50 5 HIBARN Cc1ccc2c(c1)[C@@H](c1ccc(F)cc1)N(C(=O)c1ccc([N+](=O)[O-])cc1)CC(=O)N2 ZINC000002724197 568802880 /nfs/dbraw/zinc/80/28/80/568802880.db2.gz UJUVHUIDLPZING-JOCHJYFZSA-N 0 0 419.412 4.226 50 5 HIBARN O=C(Nc1ccc(Cl)c(Cl)c1)c1ccn(COc2ccccc2[N+](=O)[O-])n1 ZINC000002800081 568809553 /nfs/dbraw/zinc/80/95/53/568809553.db2.gz MCVVUSGHTRDJOO-UHFFFAOYSA-N 0 0 407.213 4.387 50 5 HIBARN COc1ccc(NC(=O)c2ccco2)cc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000002861843 568813529 /nfs/dbraw/zinc/81/35/29/568813529.db2.gz NMFLNYNONCYVSP-UHFFFAOYSA-N 0 0 415.789 4.354 50 5 HIBARN Cn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1-c1ccc(Br)cc1 ZINC000002861481 568813551 /nfs/dbraw/zinc/81/35/51/568813551.db2.gz LEFSPQAKFVSKEO-UHFFFAOYSA-N 0 0 405.277 4.445 50 5 HIBARN CCOc1ccc(/C=C2\N=C(c3cc([N+](=O)[O-])ccc3Cl)OC2=O)cc1OC ZINC000001193409 568822713 /nfs/dbraw/zinc/82/27/13/568822713.db2.gz NFHGRSFIDOVQOZ-NVNXTCNLSA-N 0 0 402.790 4.000 50 5 HIBARN COc1ccc(NS(=O)(=O)c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)cc1 ZINC000001196005 568822747 /nfs/dbraw/zinc/82/27/47/568822747.db2.gz GORKWIJAJVVDKW-UHFFFAOYSA-N 0 0 400.412 4.197 50 5 HIBARN CCOc1ccc(C(=O)Nc2ccc(NC(=O)c3ccccc3)cc2)cc1[N+](=O)[O-] ZINC000001207593 568823396 /nfs/dbraw/zinc/82/33/96/568823396.db2.gz KNNKVVCZYCAWGL-UHFFFAOYSA-N 0 0 405.410 4.498 50 5 HIBARN O=C(CSc1nnc(-c2ccncc2)n1-c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000001206509 568823544 /nfs/dbraw/zinc/82/35/44/568823544.db2.gz JZEHXBQNSMVHOR-UHFFFAOYSA-N 0 0 417.450 4.213 50 5 HIBARN C[C@@H](NC(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1cccs1 ZINC000029676432 568828549 /nfs/dbraw/zinc/82/85/49/568828549.db2.gz RXNPAAMDYONJAQ-SNVBAGLBSA-N 0 0 402.398 4.147 50 5 HIBARN COc1ccc(C)cc1CN1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000057364776 568829265 /nfs/dbraw/zinc/82/92/65/568829265.db2.gz RVYCTDUVCRYRMQ-UHFFFAOYSA-N 0 0 409.408 4.253 50 5 HIBARN CCOC(=O)CSc1nc2ccc(Br)cc2c2nc3ccccc3n21 ZINC000002973954 568832096 /nfs/dbraw/zinc/83/20/96/568832096.db2.gz JEKGSJVQAHIVIT-UHFFFAOYSA-N 0 0 416.300 4.453 50 5 HIBARN COc1ccc(C)cc1NC(=O)[C@H](Oc1ccc(C)nc1[N+](=O)[O-])c1ccccc1 ZINC000005969976 568833009 /nfs/dbraw/zinc/83/30/09/568833009.db2.gz FWZOOPPCWGYHMH-HXUWFJFHSA-N 0 0 407.426 4.374 50 5 HIBARN CC(=O)c1cccc(NC(=O)[C@H](Oc2ccc(C)nc2[N+](=O)[O-])c2ccccc2)c1 ZINC000005969974 568833047 /nfs/dbraw/zinc/83/30/47/568833047.db2.gz LWKUXQIYYRMZEQ-HXUWFJFHSA-N 0 0 405.410 4.260 50 5 HIBARN Nc1nc(NCc2ccc(Cl)cc2)nc(NCc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000012493422 568839042 /nfs/dbraw/zinc/83/90/42/568839042.db2.gz KVAGWUTUMLNSMZ-UHFFFAOYSA-N 0 0 419.272 4.498 50 5 HIBARN COc1ccc(-c2cc(Nc3nc4ccccn4c(=O)c3[N+](=O)[O-])ccc2OC)cc1 ZINC000012539376 568846841 /nfs/dbraw/zinc/84/68/41/568846841.db2.gz ZZSSOFIESBUTPN-UHFFFAOYSA-N 0 0 418.409 4.031 50 5 HIBARN C[C@@H](OC(=O)C1c2ccccc2Oc2ccccc21)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000003253292 568848933 /nfs/dbraw/zinc/84/89/33/568848933.db2.gz LXNKKWLBTIMBFT-CQSZACIVSA-N 0 0 418.405 4.403 50 5 HIBARN Cc1cc(OC(=O)c2ccc(F)cc2)c(Sc2ccc([N+](=O)[O-])cc2)c(=O)o1 ZINC000003206265 568861608 /nfs/dbraw/zinc/86/16/08/568861608.db2.gz IJAGSLFSVCPTAU-UHFFFAOYSA-N 0 0 401.371 4.366 50 5 HIBARN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)c1cc(SC)ccc1Cl ZINC000003237791 568865781 /nfs/dbraw/zinc/86/57/81/568865781.db2.gz PGBHBMANXIYAEM-JTQLQIEISA-N 0 0 424.862 4.163 50 5 HIBARN O=C(COC(=O)c1cc([N+](=O)[O-])ccc1Cl)Nc1cc(Cl)cc(Cl)c1 ZINC000003259990 568868870 /nfs/dbraw/zinc/86/88/70/568868870.db2.gz ZFDMKEBLCYSFQD-UHFFFAOYSA-N 0 0 403.605 4.351 50 5 HIBARN CC1=C(C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H](c2c(Cl)cccc2Cl)NC(=O)N1 ZINC000012619911 568872559 /nfs/dbraw/zinc/87/25/59/568872559.db2.gz ROFQYDKHHKWZLK-MRXNPFEDSA-N 0 0 421.240 4.168 50 5 HIBARN O=C(N[C@H](Nc1ccccc1F)C(Cl)(Cl)Cl)c1cccc([N+](=O)[O-])c1 ZINC000001230967 568877680 /nfs/dbraw/zinc/87/76/80/568877680.db2.gz BTYUEONGYNKCHG-AWEZNQCLSA-N 0 0 406.628 4.272 50 5 HIBARN COc1cc([N+](=O)[O-])cc2sc(NC(=O)c3cccc(Br)c3)nc21 ZINC000004070152 568881840 /nfs/dbraw/zinc/88/18/40/568881840.db2.gz OQQKYSRZEOQMKJ-UHFFFAOYSA-N 0 0 408.233 4.228 50 5 HIBARN O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)C1(c2cccc(F)c2)CCCC1 ZINC000003331809 568882082 /nfs/dbraw/zinc/88/20/82/568882082.db2.gz SEENYEVQVKODGO-UHFFFAOYSA-N 0 0 401.390 4.156 50 5 HIBARN CN(C)[C@@H](CNC(=O)c1ccc(Sc2ccccc2)c([N+](=O)[O-])c1)c1ccco1 ZINC000003336405 568882848 /nfs/dbraw/zinc/88/28/48/568882848.db2.gz WKUPGJXYMSVFMK-SFHVURJKSA-N 0 0 411.483 4.372 50 5 HIBARN Cc1ccc(-c2nc(CCNc3ccc(S(C)(=O)=O)c([N+](=O)[O-])c3)cs2)cc1 ZINC000058177897 568896146 /nfs/dbraw/zinc/89/61/46/568896146.db2.gz QJVBYQMIHSECKH-UHFFFAOYSA-N 0 0 417.512 4.085 50 5 HIBARN CCOc1ccc(CN(C)C(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)cc1OC ZINC000031196804 568918514 /nfs/dbraw/zinc/91/85/14/568918514.db2.gz FFCCMELHOKAXIV-CQSZACIVSA-N 0 0 404.488 4.141 50 5 HIBARN O=C(Nc1ccc(N2CCCCCC2)cc1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000058434092 568918644 /nfs/dbraw/zinc/91/86/44/568918644.db2.gz DHOWRMKUHJQCRS-UHFFFAOYSA-N 0 0 405.458 4.413 50 5 HIBARN O=[N+]([O-])c1ccc(CSc2ncnc3c2nnn3Cc2ccc(Cl)cc2)cc1 ZINC000004166554 568919185 /nfs/dbraw/zinc/91/91/85/568919185.db2.gz CGXHWIVQSZJKPO-UHFFFAOYSA-N 0 0 412.862 4.124 50 5 HIBARN Cc1ccc(C)c(NC(=O)[C@H](C)N2CCN(c3ccc(Cl)cc3[N+](=O)[O-])CC2)c1 ZINC000031305907 568922573 /nfs/dbraw/zinc/92/25/73/568922573.db2.gz XIYRAPSFUIGLDF-INIZCTEOSA-N 0 0 416.909 4.014 50 5 HIBARN CCCCCOC(=O)Nc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000003876410 568928049 /nfs/dbraw/zinc/92/80/49/568928049.db2.gz HOJQDQLAQWQDCO-UHFFFAOYSA-N 0 0 407.448 4.134 50 5 HIBARN CCCCCNc1nc(Nc2ccc([N+](=O)[O-])cc2)nc(OCC(F)(F)F)n1 ZINC000003877356 568928133 /nfs/dbraw/zinc/92/81/33/568928133.db2.gz ZKEGXILVFBAJOX-UHFFFAOYSA-N 0 0 400.361 4.067 50 5 HIBARN CN(Cc1cc([N+](=O)[O-])ccc1Cl)Cn1nc(-c2cccs2)n(C)c1=S ZINC000012745056 568930997 /nfs/dbraw/zinc/93/09/97/568930997.db2.gz MSJUNTOCZKLUBS-UHFFFAOYSA-N 0 0 409.924 4.331 50 5 HIBARN COc1ccc([C@H]2[C@H](Oc3ccccc3)C(=O)N2c2cccc([N+](=O)[O-])c2)cc1OC ZINC000001439847 568940001 /nfs/dbraw/zinc/94/00/01/568940001.db2.gz GEFYNPZLQBATMA-VXKWHMMOSA-N 0 0 420.421 4.148 50 5 HIBARN Cc1ccc(S(=O)(=O)N(C)c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)cc1C ZINC000012753537 568941929 /nfs/dbraw/zinc/94/19/29/568941929.db2.gz GIGUXVZHDSRHLR-UHFFFAOYSA-N 0 0 413.455 4.224 50 5 HIBARN O=C(c1ccc([N+](=O)[O-])cc1)N1CCN=C1SCc1cccc(C(F)(F)F)c1 ZINC000004120438 568944837 /nfs/dbraw/zinc/94/48/37/568944837.db2.gz LAWCGIPOCOCBLA-UHFFFAOYSA-N 0 0 409.389 4.359 50 5 HIBARN COc1ccc([C@@H]2CCCCCN2CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc1 ZINC000012762398 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Cc1ccc(-n2ncc3c4nnc(-c5cccc([N+](=O)[O-])c5)n4cnc32)cc1Cl ZINC000001885217 569056926 /nfs/dbraw/zinc/05/69/26/569056926.db2.gz XSNQKVJZZBWFQX-UHFFFAOYSA-N 0 0 405.805 4.000 50 5 HIBARN O=C(Nc1ccc(-c2nnc3n2CCCCC3)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000006550487 569064965 /nfs/dbraw/zinc/06/49/65/569064965.db2.gz KCRDLPISTIJTTB-UHFFFAOYSA-N 0 0 411.849 4.485 50 5 HIBARN CN(CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])Cc1ccc(Br)cc1 ZINC000006636966 569076673 /nfs/dbraw/zinc/07/66/73/569076673.db2.gz PGENGPLPNISBRT-UHFFFAOYSA-N 0 0 412.671 4.081 50 5 HIBARN COc1ccc(NC(=O)/C(=C\c2cccc([N+](=O)[O-])c2)NC(=O)c2cccs2)cc1 ZINC000006645313 569077600 /nfs/dbraw/zinc/07/76/00/569077600.db2.gz FQRVNVKIJXCDBS-QGOAFFKASA-N 0 0 423.450 4.075 50 5 HIBARN Cc1ccc(CNc2ccc(S(=O)(=O)N3CCCCCC3)cc2[N+](=O)[O-])cc1 ZINC000006784329 569121369 /nfs/dbraw/zinc/12/13/69/569121369.db2.gz KMDODMMMUSPBBF-UHFFFAOYSA-N 0 0 403.504 4.080 50 5 HIBARN COc1cccc(CN2CCCn3cccc3[C@H]2c2ccc([N+](=O)[O-])cc2)c1OC ZINC000036347774 569144285 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O=C1OC(c2ccco2)=N/C1=C/c1cccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 ZINC000002427747 569398754 /nfs/dbraw/zinc/39/87/54/569398754.db2.gz VVXAASFTOOXURF-GDNBJRDFSA-N 0 0 421.321 4.233 50 5 HIBARN Cn1c(C[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2)c2ccccc2)nc2ccccc21 ZINC000012628679 569402218 /nfs/dbraw/zinc/40/22/18/569402218.db2.gz WAWYXCWWHLKHLH-HXUWFJFHSA-N 0 0 400.438 4.195 50 5 HIBARN O=C(Cc1ccc(Cl)c(Cl)c1)Nc1cc(-n2cccn2)c(F)cc1[N+](=O)[O-] ZINC000012791345 569403396 /nfs/dbraw/zinc/40/33/96/569403396.db2.gz ORLAQJUQLITBJT-UHFFFAOYSA-N 0 0 409.204 4.408 50 5 HIBARN O=c1c([N+](=O)[O-])c(N2CCCC[C@@H]2c2ccc(C(F)(F)F)cc2)nc2ccccn12 ZINC000079017307 569423995 /nfs/dbraw/zinc/42/39/95/569423995.db2.gz ILQKQPUJPJHKOX-OAHLLOKOSA-N 0 0 418.375 4.353 50 5 HIBARN O=C(C(c1ccccc1)c1ccccc1)N1CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC000019787405 569429685 /nfs/dbraw/zinc/42/96/85/569429685.db2.gz FQGXQLYPCXVRAC-UHFFFAOYSA-N 0 0 415.493 4.071 50 5 HIBARN Cc1ccc(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1[N+](=O)[O-] 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Cc1c(F)cc(C(=O)N(C[C@@H]2CCCO2)c2nc3ccccc3s2)cc1[N+](=O)[O-] ZINC000040140411 571191466 /nfs/dbraw/zinc/19/14/66/571191466.db2.gz MOHPHEMFAXYIGW-AWEZNQCLSA-N 0 0 415.446 4.478 50 5 HIBARN O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1Nc1cccc(NC2CC2)c1 ZINC000040155569 571202706 /nfs/dbraw/zinc/20/27/06/571202706.db2.gz MYSRZLQJEIPSOI-UHFFFAOYSA-N 0 0 416.503 4.087 50 5 HIBARN O=C(CNc1cc([N+](=O)[O-])ccc1Nc1ccccc1)Nc1ccc2c(c1)OCO2 ZINC000009157444 571232113 /nfs/dbraw/zinc/23/21/13/571232113.db2.gz SMSOSTQWEVRLMH-UHFFFAOYSA-N 0 0 406.398 4.118 50 5 HIBARN Cc1cc(Cl)ccc1OCc1nnc(SCC(=O)c2ccc([N+](=O)[O-])cc2)o1 ZINC000009191348 571235600 /nfs/dbraw/zinc/23/56/00/571235600.db2.gz HPNWJYBLCMHBQV-UHFFFAOYSA-N 0 0 419.846 4.494 50 5 HIBARN CCn1c(SCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)nnc1-c1cccs1 ZINC000009318119 571247680 /nfs/dbraw/zinc/24/76/80/571247680.db2.gz OHXYZDXQGWFJSX-UHFFFAOYSA-N 0 0 414.472 4.277 50 5 HIBARN Cc1cc(SCC(=O)Nc2ccccc2[N+](=O)[O-])n2ncc(-c3ccccc3)c2n1 ZINC000009320512 571248094 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FUYNJUJIUKXEIS-SREVYHEPSA-N 0 0 410.348 4.015 50 5 HIBARN CCOC(=O)c1sc2[nH]c(C=Cc3ccc(Cl)c([N+](=O)[O-])c3)nc(=O)c2c1C ZINC000034888933 848141336 /nfs/dbraw/zinc/14/13/36/848141336.db2.gz WDJDSMCXJFOBIX-ALCCZGGFSA-N 0 0 419.846 4.202 50 5 HIBARN O=C(/C=C\c1cc([N+](=O)[O-])ccc1OC(F)F)Nc1ccc(OC(F)F)cc1 ZINC000096835751 852556059 /nfs/dbraw/zinc/55/60/59/852556059.db2.gz NUQXONIUIXQXJM-QPIMQUGISA-N 0 0 400.284 4.450 50 5 HIBARN O=C(c1cccc(Cl)c1)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000004187707 132272666 /nfs/dbraw/zinc/27/26/66/132272666.db2.gz CYVDFTIWUVTUME-UHFFFAOYSA-N 0 0 413.783 4.229 50 5 HIBARN CCCc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3-n3cccc3)CC2)cc1 ZINC000004307382 132274839 /nfs/dbraw/zinc/27/48/39/132274839.db2.gz LBQMIFZSPZCCBW-UHFFFAOYSA-N 0 0 418.497 4.300 50 5 HIBARN O=C(Nc1ccc2c(c1)Cc1ccccc1-2)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000004810766 132289107 /nfs/dbraw/zinc/28/91/07/132289107.db2.gz GYTWCFINAHBGTC-UHFFFAOYSA-N 0 0 415.449 4.255 50 5 HIBARN C[C@@H]1CCc2nc(NC(=O)c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)sc2C1 ZINC000005446772 132305838 /nfs/dbraw/zinc/30/58/38/132305838.db2.gz MBOGHOULGURNDA-CYBMUJFWSA-N 0 0 400.504 4.419 50 5 HIBARN CCc1ccc(-c2nc(C(=O)N3CCN(c4ccccc4[N+](=O)[O-])CC3)cs2)cc1 ZINC000012590589 132364657 /nfs/dbraw/zinc/36/46/57/132364657.db2.gz CBWNQXPIYPNSQX-UHFFFAOYSA-N 0 0 422.510 4.243 50 5 HIBARN COc1ccc(C(=O)N[C@@H](C)c2ccc(OCC(C)C)c(OC)c2)cc1[N+](=O)[O-] ZINC000032830920 523723079 /nfs/dbraw/zinc/72/30/79/523723079.db2.gz AXPATOPKPQFVNC-AWEZNQCLSA-N 0 0 402.447 4.138 50 5 HIBARN COc1ccc(NC(=O)Cc2ccccc2[N+](=O)[O-])cc1NC(=O)c1cccc(F)c1 ZINC000032931492 524526214 /nfs/dbraw/zinc/52/62/14/524526214.db2.gz KEKUTDSGWGJSBP-UHFFFAOYSA-N 0 0 423.400 4.176 50 5 HIBARN O=C(c1ccccc1)N1C[C@@H](COc2ccccc2)O[C@H](c2ccccc2[N+](=O)[O-])O1 ZINC000020509064 526795268 /nfs/dbraw/zinc/79/52/68/526795268.db2.gz PDSYWWWKKGZJCL-CVDCTZTESA-N 0 0 420.421 4.145 50 5 HIBARN Cc1nc(NC(=O)c2ccc([N+](=O)[O-])cc2)sc1-c1nc(-c2ccccc2)no1 ZINC000031815552 526993811 /nfs/dbraw/zinc/99/38/11/526993811.db2.gz OZLUPVULDLFDBG-UHFFFAOYSA-N 0 0 407.411 4.329 50 5 HIBARN COc1ccc(-c2c3c(nc(C)c2C(C)=O)sc2c4nnc(C)n4cnc23)cc1 ZINC000000642989 557033436 /nfs/dbraw/zinc/03/34/36/557033436.db2.gz GOQCYUQPSVMPOD-UHFFFAOYSA-N 0 0 403.467 4.382 50 5 HIBARN COc1cc(C(=O)Nc2cc3c(ccc4ccccc43)oc2=O)cc(OC)c1OC ZINC000005173878 557638737 /nfs/dbraw/zinc/63/87/37/557638737.db2.gz JWKZXRXCHZUYJB-UHFFFAOYSA-N 0 0 405.406 4.224 50 5 HIBARN O=C(Cc1csc2nc(-c3ccc(F)cc3)cn12)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000010741132 558435324 /nfs/dbraw/zinc/43/53/24/558435324.db2.gz MHZVRCXFQRQSIR-UHFFFAOYSA-N 0 0 414.393 4.430 50 5 HIBARN Cc1nc2c(cnn2C(C)C)cc1C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000010904390 558556919 /nfs/dbraw/zinc/55/69/19/558556919.db2.gz LPOWBIHZLARCQL-UHFFFAOYSA-N 0 0 401.854 4.154 50 5 HIBARN CC[C@@H]1CCc2c(sc3c2C(=O)N[C@@H](c2cc4c(cc2[N+](=O)[O-])OCO4)N3)C1 ZINC000004545472 558664715 /nfs/dbraw/zinc/66/47/15/558664715.db2.gz XVOCMLCDRHCDMS-VVVCHXIZSA-N 0 0 401.444 4.329 50 5 HIBARN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@H]1c1nc(-c2ccccc2F)c[nH]1 ZINC000072305166 558757818 /nfs/dbraw/zinc/75/78/18/558757818.db2.gz GRGSMKDHVYTTNC-FQEVSTJZSA-N 0 0 423.448 4.208 50 5 HIBARN COc1ccc(Sc2nsc(NC(=O)c3ccc(C)c([N+](=O)[O-])c3)n2)cc1 ZINC000072310546 558777643 /nfs/dbraw/zinc/77/76/43/558777643.db2.gz BUSGXTPYGPTQRB-UHFFFAOYSA-N 0 0 402.457 4.167 50 5 HIBARN CCCCOc1ccc(NC(=O)CSc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000004589325 558789019 /nfs/dbraw/zinc/78/90/19/558789019.db2.gz WPVOTAYNXHFSJH-UHFFFAOYSA-N 0 0 405.432 4.413 50 5 HIBARN COc1cccc(-c2cc(C(=O)Nc3ccc([N+](=O)[O-])cn3)c3ccccc3n2)c1 ZINC000004613805 558852226 /nfs/dbraw/zinc/85/22/26/558852226.db2.gz ZATWCKKVBFWBES-UHFFFAOYSA-N 0 0 400.394 4.466 50 5 aggregator HIBARN COc1ccc(C(=O)NCc2ccc(-c3nc4ccccc4o3)cc2)cc1[N+](=O)[O-] ZINC000013856275 558886437 /nfs/dbraw/zinc/88/64/37/558886437.db2.gz MWPGHHXITFUUNI-UHFFFAOYSA-N 0 0 403.394 4.342 50 5 HIBARN C[C@H](NC(=O)c1ccccc1NC(=O)Cc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000004703268 558912967 /nfs/dbraw/zinc/91/29/67/558912967.db2.gz UVLPZJAHZDLBTM-INIZCTEOSA-N 0 0 403.438 4.267 50 5 HIBARN O=C(Nc1ccc([N+](=O)[O-])cc1)/C(=C\c1ccccc1F)NC(=O)c1ccccc1 ZINC000004772894 559057067 /nfs/dbraw/zinc/05/70/67/559057067.db2.gz WMLDXKNTUKGUNQ-XSFVSMFZSA-N 0 0 405.385 4.144 50 5 HIBARN Cn1cnnc1Sc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000014071117 559148150 /nfs/dbraw/zinc/14/81/50/559148150.db2.gz HGXQBISBTSAMMP-UHFFFAOYSA-N 0 0 423.376 4.146 50 5 HIBARN O=C(CN(Cc1c(F)cccc1Cl)C1CC1)N1CCCc2cc([N+](=O)[O-])ccc21 ZINC000014164507 559154395 /nfs/dbraw/zinc/15/43/95/559154395.db2.gz YSZOXGIFLJNDPT-UHFFFAOYSA-N 0 0 417.868 4.331 50 5 HIBARN Cc1cc2nnc(S[C@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])n2c2ccccc12 ZINC000004843523 559177272 /nfs/dbraw/zinc/17/72/72/559177272.db2.gz ZHLLSMOFRMAHKX-CYBMUJFWSA-N 0 0 407.455 4.218 50 5 HIBARN CC(C)(C)C(=O)COC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000005017824 559228705 /nfs/dbraw/zinc/22/87/05/559228705.db2.gz RFIHIOQMCCLZRP-UHFFFAOYSA-N 0 0 418.833 4.273 50 5 HIBARN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](OC(=O)c1ccncc1)c1ccccc1 ZINC000005020721 559229229 /nfs/dbraw/zinc/22/92/29/559229229.db2.gz QCKREFQJNNTBQO-GOSISDBHSA-N 0 0 411.801 4.180 50 5 HIBARN O=C1OC(c2ccccc2Cl)=N/C1=C\c1ccc(Br)c([N+](=O)[O-])c1 ZINC000005052602 559237321 /nfs/dbraw/zinc/23/73/21/559237321.db2.gz PZWJPJFYIXULLD-QPEQYQDCSA-N 0 0 407.607 4.355 50 5 HIBARN COc1cc([N+](=O)[O-])ccc1NC(=S)NC(=O)CC12CC3CC(CC(C3)C1)C2 ZINC000005063901 559239352 /nfs/dbraw/zinc/23/93/52/559239352.db2.gz KMYFXULMQZLGFY-UHFFFAOYSA-N 0 0 403.504 4.023 50 5 HIBARN O=C(Nc1nnc(CSCc2ccccc2F)s1)c1cccc([N+](=O)[O-])c1 ZINC000005200652 560537654 /nfs/dbraw/zinc/53/76/54/560537654.db2.gz KRMBRWLKZYYEDS-UHFFFAOYSA-N 0 0 404.448 4.271 50 5 aggregator HIBARN Cc1cccc(-n2nc(C)c(=O)c3c4nc5ccccc5n4c(-c4ccco4)nc32)c1 ZINC000005207947 560538675 /nfs/dbraw/zinc/53/86/75/560538675.db2.gz IWRBOYBOKGDKGF-UHFFFAOYSA-N 0 0 407.433 4.458 50 5 HIBARN O=c1c2ccccc2nc(/C=C\c2cccc([N+](=O)[O-])c2)n1-c1ccc([N+](=O)[O-])cc1 ZINC000033926939 560540051 /nfs/dbraw/zinc/54/00/51/560540051.db2.gz CWXASDWLGBICTQ-JYRVWZFOSA-N 0 0 414.377 4.373 50 5 HIBARN O=[N+]([O-])c1cc(Br)c2c(c1)C=Cc1c(cc([N+](=O)[O-])cc1[N+](=O)[O-])O2 ZINC000100985791 560765390 /nfs/dbraw/zinc/76/53/90/560765390.db2.gz LSAXWVZMXHOWFC-UHFFFAOYSA-N 0 0 408.120 4.450 50 5 HIBARN CCOc1ccc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc1OC ZINC000015008578 560779742 /nfs/dbraw/zinc/77/97/42/560779742.db2.gz QICCOLSQWVUWHE-WOJGMQOQSA-N 0 0 414.439 4.239 50 5 HIBARN CCOc1ccc(Nc2ccc(N3C(=O)[C@@H]4CCCC[C@H]4C3=O)cc2[N+](=O)[O-])cc1 ZINC000102784048 560827457 /nfs/dbraw/zinc/82/74/57/560827457.db2.gz KYVTVPBZRKAVCI-QZTJIDSGSA-N 0 0 409.442 4.417 50 5 HIBARN CC[C@H](NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1ccc(OC)cc1 ZINC000014808949 560852648 /nfs/dbraw/zinc/85/26/48/560852648.db2.gz DQJFODSEXNWCTA-NRFANRHFSA-N 0 0 400.478 4.431 50 5 HIBARN O=C(CSc1nnc(-c2ccc3ccccc3n2)s1)Nc1ccc([N+](=O)[O-])cc1 ZINC000014945352 568456737 /nfs/dbraw/zinc/45/67/37/568456737.db2.gz FWDZQWZEPWFTNQ-UHFFFAOYSA-N 0 0 423.479 4.392 50 5 HIBARN CC12c3ccccc3C(C)(c3ccccc31)[C@@H]1C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@H]12 ZINC000000705204 568462764 /nfs/dbraw/zinc/46/27/64/568462764.db2.gz RQFRHMUEMJAHKF-FPMFRTRJSA-N 0 0 424.456 4.340 50 5 HIBARN C[C@]12C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]1C1c3ccccc3C2c2ccccc21 ZINC000000726992 568466207 /nfs/dbraw/zinc/46/62/07/568466207.db2.gz SPXYTUUSOLDXHY-BBLPBDBVSA-N 0 0 410.429 4.382 50 5 HIBARN CC(=O)Nc1nc(-c2ccc(Br)cc2)nc2c3ccccc3oc(=O)c12 ZINC000000753937 568471542 /nfs/dbraw/zinc/47/15/42/568471542.db2.gz LDKXFAHKEIQVET-UHFFFAOYSA-N 0 0 410.227 4.124 50 5 HIBARN Cc1ccccc1C(=O)N[C@H](Oc1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)Cl ZINC000000808679 568487424 /nfs/dbraw/zinc/48/74/24/568487424.db2.gz ZPTFQKODWYJFJA-OAHLLOKOSA-N 0 0 403.649 4.408 50 5 HIBARN Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)C2(C)c4ccccc4C3c3ccccc32)cc1[N+](=O)[O-] ZINC000000835820 568501703 /nfs/dbraw/zinc/50/17/03/568501703.db2.gz QRSXZSAPTKDIQA-FGEXJBCWSA-N 0 0 424.456 4.474 50 5 HIBARN CCOC(=O)c1c(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)sc2c1CCCC2 ZINC000000840075 568501936 /nfs/dbraw/zinc/50/19/36/568501936.db2.gz BDSCVESRHATCQE-FMIVXFBMSA-N 0 0 400.456 4.364 50 5 HIBARN Cc1ccccc1C(=O)N[C@@H](Oc1cccc([N+](=O)[O-])c1)C(Cl)(Cl)Cl ZINC000000836811 568514924 /nfs/dbraw/zinc/51/49/24/568514924.db2.gz PLEVTOJXHYZAMK-HNNXBMFYSA-N 0 0 403.649 4.408 50 5 HIBARN COc1ccccc1N[C@H](NC(=O)c1ccccc1[N+](=O)[O-])C(Cl)(Cl)Cl ZINC000000837032 568514987 /nfs/dbraw/zinc/51/49/87/568514987.db2.gz GDTSRVFYAOKCIP-OAHLLOKOSA-N 0 0 418.664 4.142 50 5 HIBARN COc1ccc(/N=c2\oc3ccc([N+](=O)[O-])cc3cc2C(=O)Nc2nccs2)cc1 ZINC000020616589 568638137 /nfs/dbraw/zinc/63/81/37/568638137.db2.gz LBMQCZLHVWUNMZ-QOCHGBHMSA-N 0 0 422.422 4.291 50 5 HIBARN CC1CCN(C(=O)c2oc3ccccc3c2NC(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000020900617 568649626 /nfs/dbraw/zinc/64/96/26/568649626.db2.gz SQEMXPZHQVCIEM-UHFFFAOYSA-N 0 0 421.453 4.394 50 5 HIBARN CNc1ccc(/C=C2\CCn3c2nc2cc(C(F)(F)F)ccc2c3=O)cc1[N+](=O)[O-] ZINC000020988093 568655210 /nfs/dbraw/zinc/65/52/10/568655210.db2.gz FGFNTQQTTUXZHI-XYOKQWHBSA-N 0 0 416.359 4.310 50 5 HIBARN COc1ccc(Cn2c(=O)c3ccc[nH]c-3c2Nc2ccc([N+](=O)[O-])cc2C)cc1 ZINC000021106961 568667229 /nfs/dbraw/zinc/66/72/29/568667229.db2.gz ZLCWOOVBMUIIRI-OAQYLSRUSA-N 0 0 404.426 4.074 50 5 HIBARN Cc1ccccc1NC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)NC(=O)c1cccs1 ZINC000000851254 568711896 /nfs/dbraw/zinc/71/18/96/568711896.db2.gz WWYJROFKGNTVJB-AQTBWJFISA-N 0 0 407.451 4.374 50 5 HIBARN CC(C)(C)CC(=O)N(CCc1nc(-c2cccc([N+](=O)[O-])c2)no1)Cc1ccco1 ZINC000096278385 568716635 /nfs/dbraw/zinc/71/66/35/568716635.db2.gz CWKNGHVWPVHYBD-UHFFFAOYSA-N 0 0 412.446 4.245 50 5 HIBARN O=C(C[C@H](CCc1ccccc1)c1c[nH]c2ccc([N+](=O)[O-])cc21)N1CCOCC1 ZINC000096278521 568716728 /nfs/dbraw/zinc/71/67/28/568716728.db2.gz AEAJCNRUQKBCEC-SFHVURJKSA-N 0 0 407.470 4.041 50 5 HIBARN Cc1cc(NC(=O)c2ccc([N+](=O)[O-])o2)n(-c2nc(-c3ccc(C)cc3)cs2)n1 ZINC000012441964 568724592 /nfs/dbraw/zinc/72/45/92/568724592.db2.gz NVQBAVODWMGJHO-UHFFFAOYSA-N 0 0 409.427 4.366 50 5 HIBARN COC(=O)c1cc(Br)ccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000000942055 568752935 /nfs/dbraw/zinc/75/29/35/568752935.db2.gz MHVOVRJQEFJWDI-UHFFFAOYSA-N 0 0 413.611 4.050 50 5 HIBARN C/C(=C(/NC(=O)c1ccccc1)C(=O)NC1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000211002737 568755587 /nfs/dbraw/zinc/75/55/87/568755587.db2.gz KLIIWKZEGAMCDS-PGMHBOJBSA-N 0 0 407.470 4.205 50 5 HIBARN O=C(c1ccccc1)c1cc(Cl)ccc1N1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000000991287 568759834 /nfs/dbraw/zinc/75/98/34/568759834.db2.gz FLZVAFSDJGYGMD-UHFFFAOYSA-N 0 0 406.781 4.280 50 5 HIBARN O=C(NC[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccc1SCc1cccs1 ZINC000022061685 568764542 /nfs/dbraw/zinc/76/45/42/568764542.db2.gz ZHLDZXQZHRYWIM-GOSISDBHSA-N 0 0 414.508 4.412 50 5 HIBARN CCOC(=O)Nc1ccc(Br)cc1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000097230305 568770123 /nfs/dbraw/zinc/77/01/23/568770123.db2.gz NGRBBVPSDJJBNL-UHFFFAOYSA-N 0 0 408.208 4.178 50 5 HIBARN CCOC(=O)c1c(NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2)sc2c1CCCC2 ZINC000001140929 568772080 /nfs/dbraw/zinc/77/20/80/568772080.db2.gz YRFAJIKEXLPCBF-GFCCVEGCSA-N 0 0 402.472 4.454 50 5 HIBARN CCC(CC)[C@@H]1C[C@H](NC(=O)c2sc(Br)cc2[N+](=O)[O-])CCO1 ZINC000225549281 568772869 /nfs/dbraw/zinc/77/28/69/568772869.db2.gz UPEDDBGWKMJIBO-PWSUYJOCSA-N 0 0 405.314 4.132 50 5 HIBARN Cc1c(Cl)cccc1NC(=O)C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000001128731 568772929 /nfs/dbraw/zinc/77/29/29/568772929.db2.gz ICZDOVMLBQLBKF-UHFFFAOYSA-N 0 0 401.850 4.048 50 5 HIBARN O=C(Nc1c2c(nn1-c1ccc(Cl)cc1)CSC2)c1ccccc1[N+](=O)[O-] ZINC000002474933 568773812 /nfs/dbraw/zinc/77/38/12/568773812.db2.gz BCYQIKYBPQAUEL-UHFFFAOYSA-N 0 0 400.847 4.433 50 5 HIBARN CC(=O)Nc1ccc(NC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000001151459 568774051 /nfs/dbraw/zinc/77/40/51/568774051.db2.gz METGKOYITXSUPP-UHFFFAOYSA-N 0 0 413.377 4.303 50 5 HIBARN O=C(Nc1cccc(I)c1)c1cc([N+](=O)[O-])ccc1Cl ZINC000001167904 568775338 /nfs/dbraw/zinc/77/53/38/568775338.db2.gz ORHMBDNTDIMDID-UHFFFAOYSA-N 0 0 402.575 4.105 50 5 HIBARN CCCCOc1ccc(S(=O)(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000002501388 568777081 /nfs/dbraw/zinc/77/70/81/568777081.db2.gz KJJZWIZCSDSFRV-LJQANCHMSA-N 0 0 422.528 4.210 50 5 HIBARN CCOc1ccc(NC(=O)c2ccc(Cn3cc(Cl)c([N+](=O)[O-])n3)cc2)cc1 ZINC000002809457 568810910 /nfs/dbraw/zinc/81/09/10/568810910.db2.gz UTAYVFPADRLQDW-UHFFFAOYSA-N 0 0 400.822 4.144 50 5 HIBARN Cc1ccc(C(=O)COC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1[N+](=O)[O-] ZINC000001174083 568818958 /nfs/dbraw/zinc/81/89/58/568818958.db2.gz KBSWJMALUZDFBW-UHFFFAOYSA-N 0 0 418.405 4.195 50 5 HIBARN O=C1OC(c2ccc(Br)cc2)=NC1=CNc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000002947390 568819929 /nfs/dbraw/zinc/81/99/29/568819929.db2.gz WVJPKQXUTMQRTN-MDWZMJQESA-N 0 0 422.622 4.268 50 5 HIBARN Cc1c(NC(=O)COc2ccccc2[N+](=O)[O-])cccc1-c1nc2ncccc2o1 ZINC000001206054 568823598 /nfs/dbraw/zinc/82/35/98/568823598.db2.gz KMTOWPJPYXTFLF-UHFFFAOYSA-N 0 0 404.382 4.124 50 5 HIBARN O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000001217273 568824913 /nfs/dbraw/zinc/82/49/13/568824913.db2.gz JDSHXGIXDRPFMN-UHFFFAOYSA-N 0 0 417.446 4.269 50 5 HIBARN C[C@H](Oc1ncnc2c(Cl)cc(Cl)cc12)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000005865706 568826975 /nfs/dbraw/zinc/82/69/75/568826975.db2.gz KFNWAZVEUNTDNH-VIFPVBQESA-N 0 0 407.213 4.251 50 5 HIBARN Cn1c(Sc2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])nnc1C(F)(F)F ZINC000005938107 568831100 /nfs/dbraw/zinc/83/11/00/568831100.db2.gz UKSMCYPKIZSMQD-UHFFFAOYSA-N 0 0 408.361 4.124 50 5 HIBARN CCOC(=O)c1sc(NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)nc1C ZINC000002999967 568836342 /nfs/dbraw/zinc/83/63/42/568836342.db2.gz ZDIFUEWUCYNNGX-UHFFFAOYSA-N 0 0 401.400 4.049 50 5 HIBARN Cc1c2oc3c(nc4[nH]ncc4c3-c3cc4cccc5c4n(c3=O)CC5)c2ccc1O ZINC000218257786 568837200 /nfs/dbraw/zinc/83/72/00/568837200.db2.gz MYRSBRKRGDIIHT-UHFFFAOYSA-N 0 0 408.417 4.409 50 5 HIBARN Cc1cc2cc(Nc3ccc(S(=O)(=O)NC(C)(C)C)cc3[N+](=O)[O-])ccc2[nH]1 ZINC000031653506 568837482 /nfs/dbraw/zinc/83/74/82/568837482.db2.gz WZMFHCKPNVBZAL-UHFFFAOYSA-N 0 0 402.476 4.205 50 5 HIBARN COc1ccc([N+](=O)[O-])cc1OCc1nc(-c2cc(Br)cs2)no1 ZINC000057468002 568838484 /nfs/dbraw/zinc/83/84/84/568838484.db2.gz UHKWBSFKZBKSTC-UHFFFAOYSA-N 0 0 412.221 4.056 50 5 HIBARN C[C@H](OCCCNC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1ccccc1 ZINC000012527852 568843819 /nfs/dbraw/zinc/84/38/19/568843819.db2.gz RYBUIPXLPUSAKF-IBGZPJMESA-N 0 0 414.505 4.439 50 5 HIBARN O=C(OCc1ccccc1)c1ccc(OC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 ZINC000003087984 568854313 /nfs/dbraw/zinc/85/43/13/568854313.db2.gz KGCYXXXRJPTESQ-UHFFFAOYSA-N 0 0 422.349 4.079 50 5 HIBARN O=C(Nc1nnc(-c2cccnc2)s1)c1cc2c(ccc3ccccc32)oc1=O ZINC000003185094 568860386 /nfs/dbraw/zinc/86/03/86/568860386.db2.gz PWSQEJHDAPPBBW-UHFFFAOYSA-N 0 0 400.419 4.112 50 5 HIBARN Cc1c(C(=O)C(F)(F)F)c2ccccn2c1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000003198083 568861145 /nfs/dbraw/zinc/86/11/45/568861145.db2.gz HVKSLGSHIATUCF-UHFFFAOYSA-N 0 0 421.287 4.040 50 5 HIBARN C[C@@H](OC(=O)c1ccc([N+](=O)[O-])o1)C(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000003233000 568865174 /nfs/dbraw/zinc/86/51/74/568865174.db2.gz LTPNSKZWIXJZOX-ZCFIWIBFSA-N 0 0 407.593 4.332 50 5 HIBARN O=C(COC(=O)c1cc(-c2ccco2)nc2ccccc21)Nc1cccc([N+](=O)[O-])c1 ZINC000003249166 568867558 /nfs/dbraw/zinc/86/75/58/568867558.db2.gz GTCKVEPXXIRNMC-UHFFFAOYSA-N 0 0 417.377 4.199 50 5 HIBARN O=C(CSc1nc2ccccc2[nH]1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000012602919 568870403 /nfs/dbraw/zinc/87/04/03/568870403.db2.gz LLTFVKUUQZOAOS-UHFFFAOYSA-N 0 0 411.468 4.325 50 5 HIBARN Cc1ccccc1N[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)Cl ZINC000001232862 568880843 /nfs/dbraw/zinc/88/08/43/568880843.db2.gz XTLONIBWUAJJAK-OAHLLOKOSA-N 0 0 402.665 4.441 50 5 HIBARN CCc1nc2sc([C@H](c3ccc([N+](=O)[O-])cc3)[N@H+]3C[C@H](C)C[C@H](C)C3)c([O-])n2n1 ZINC000015391751 568885152 /nfs/dbraw/zinc/88/51/52/568885152.db2.gz NTBYDPFFWWZCHX-AHIWAGSCSA-N 0 0 415.519 4.034 50 5 HIBARN NC(=O)c1ccc(SCC(=O)Nc2cccc(Oc3ccccc3)c2)c([N+](=O)[O-])c1 ZINC000003369257 568889647 /nfs/dbraw/zinc/88/96/47/568889647.db2.gz KFSAYMLPVUVJNY-UHFFFAOYSA-N 0 0 423.450 4.217 50 5 HIBARN CS(=O)(=O)c1ccc(C(=O)N[C@@H](c2ccccc2)C2CCCCC2)cc1[N+](=O)[O-] ZINC000031799400 568931361 /nfs/dbraw/zinc/93/13/61/568931361.db2.gz KDAVNGJZRHXRLS-FQEVSTJZSA-N 0 0 416.499 4.050 50 5 HIBARN COc1ccc(NC(=O)COc2c(C)cc(Br)cc2C)c([N+](=O)[O-])c1 ZINC000004056352 568936383 /nfs/dbraw/zinc/93/63/83/568936383.db2.gz KMMJQEFSFFKWRB-UHFFFAOYSA-N 0 0 409.236 4.000 50 5 HIBARN CCOc1ccc(N2C(=O)c3cccc4c3c(cc([N+](=O)[O-])c4N(C)C)C2=O)cc1 ZINC000059116464 568942908 /nfs/dbraw/zinc/94/29/08/568942908.db2.gz LJWPVQVPROVJDE-UHFFFAOYSA-N 0 0 405.410 4.013 50 5 HIBARN O=C(NCCCNc1ccc(Cl)cc1[N+](=O)[O-])c1cccc(Br)c1 ZINC000004119382 568943943 /nfs/dbraw/zinc/94/39/43/568943943.db2.gz IZQIGLMXXYEGLU-UHFFFAOYSA-N 0 0 412.671 4.243 50 5 HIBARN O=C(CCCOc1ccc(Cl)cc1Cl)OCC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000004119574 568944556 /nfs/dbraw/zinc/94/45/56/568944556.db2.gz NDGAZVJWERBTRI-UHFFFAOYSA-N 0 0 412.225 4.487 50 5 HIBARN COc1ccc(C(=O)Nc2ccc(-c3nc4ncccc4o3)cc2C)cc1[N+](=O)[O-] ZINC000004122456 568944648 /nfs/dbraw/zinc/94/46/48/568944648.db2.gz GOQQWRWPNBFRPA-UHFFFAOYSA-N 0 0 404.382 4.367 50 5 HIBARN O=C(c1ccccc1[N+](=O)[O-])N1CCN=C1SCc1ccc(C(F)(F)F)cc1 ZINC000004120471 568944847 /nfs/dbraw/zinc/94/48/47/568944847.db2.gz ZWYAYZSPLVQUMJ-UHFFFAOYSA-N 0 0 409.389 4.359 50 5 HIBARN COc1ccc(S(=O)(=O)Nc2ccc3oc4c(c3c2)C[C@H](C)CC4)cc1[N+](=O)[O-] ZINC000004148324 568946091 /nfs/dbraw/zinc/94/60/91/568946091.db2.gz LYCIRCIEXWSPOW-GFCCVEGCSA-N 0 0 416.455 4.275 50 5 HIBARN COc1ccc(N(Cc2ccccc2)S(=O)(=O)c2ccc(C)cc2)c([N+](=O)[O-])c1 ZINC000004154787 568946954 /nfs/dbraw/zinc/94/69/54/568946954.db2.gz QTTISFPSZIWNDP-UHFFFAOYSA-N 0 0 412.467 4.307 50 5 HIBARN CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)CCC(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000004179322 568948064 /nfs/dbraw/zinc/94/80/64/568948064.db2.gz XWUWJQFHHRAQMX-MOXGXCLJSA-N 0 0 419.474 4.105 50 5 biogenic HIBARN CC(C)[C@@H]1CC[C@H](C)C[C@H]1OC(=O)CCC(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000004179324 568948105 /nfs/dbraw/zinc/94/81/05/568948105.db2.gz XWUWJQFHHRAQMX-ZAAXVRCTSA-N 0 0 419.474 4.105 50 5 HIBARN O=[N+]([O-])c1cccc([C@@H]2CC(c3ccccc3)=NN2S(=O)(=O)c2ccccc2)c1 ZINC000004174072 568948266 /nfs/dbraw/zinc/94/82/66/568948266.db2.gz HPEIDLICKXEPBQ-NRFANRHFSA-N 0 0 407.451 4.135 50 5 HIBARN Nc1nc(N[C@H](c2ccccc2)c2ccc(Br)cc2F)ncc1[N+](=O)[O-] ZINC000084522655 568950400 /nfs/dbraw/zinc/95/04/00/568950400.db2.gz LQZKBVADIHARKX-OAHLLOKOSA-N 0 0 418.226 4.070 50 5 HIBARN Cn1c2ccccc2nc1-c1cccc(NC(=O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000059422123 568953299 /nfs/dbraw/zinc/95/32/99/568953299.db2.gz RRVNSFXNDQOTDD-UHFFFAOYSA-N 0 0 402.410 4.166 50 5 HIBARN COc1ccc(NC(=O)CSc2nc3ccccc3n2CC(C)C)c([N+](=O)[O-])c1 ZINC000004265515 568956067 /nfs/dbraw/zinc/95/60/67/568956067.db2.gz SZGWITOVLAEXMX-UHFFFAOYSA-N 0 0 414.487 4.340 50 5 HIBARN COc1ccc([C@@H]2CCCCCN2CC(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1 ZINC000012784553 568959472 /nfs/dbraw/zinc/95/94/72/568959472.db2.gz LOTBMMVLMBKPMK-FQEVSTJZSA-N 0 0 413.474 4.168 50 5 HIBARN CCC(=O)c1ccc(Oc2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000008325800 568991614 /nfs/dbraw/zinc/99/16/14/568991614.db2.gz ACVHEAYESQFSJG-UHFFFAOYSA-N 0 0 403.334 4.273 50 5 HIBARN O=C(CNc1ncc(-c2cc3ccccc3oc2=O)s1)c1ccc([N+](=O)[O-])cc1 ZINC000008381994 568996172 /nfs/dbraw/zinc/99/61/72/568996172.db2.gz RIOOONJMHOGXIJ-UHFFFAOYSA-N 0 0 407.407 4.120 50 5 HIBARN O=C(CSc1nccn1Cc1ccccc1Cl)Nc1cccc([N+](=O)[O-])c1 ZINC000015825516 569011354 /nfs/dbraw/zinc/01/13/54/569011354.db2.gz DMTLKFUFRXDGBD-UHFFFAOYSA-N 0 0 402.863 4.224 50 5 HIBARN CCOc1cc(OCC)cc(C(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000015856726 569014068 /nfs/dbraw/zinc/01/40/68/569014068.db2.gz IMEAKVMGOUCXJY-UHFFFAOYSA-N 0 0 423.878 4.172 50 5 HIBARN O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000012925499 569023700 /nfs/dbraw/zinc/02/37/00/569023700.db2.gz IGICRBBCCGBFHP-MRXNPFEDSA-N 0 0 402.834 4.387 50 5 HIBARN Cc1ccc(NC(=O)CSc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1Br ZINC000016311816 569031291 /nfs/dbraw/zinc/03/12/91/569031291.db2.gz VCWQDRGFMDYMFO-UHFFFAOYSA-N 0 0 421.276 4.273 50 5 HIBARN CCOc1ccc(NC(=S)Nc2sc3c(c2C(=O)OC)CCC3)c([N+](=O)[O-])c1 ZINC000016361075 569032258 /nfs/dbraw/zinc/03/22/58/569032258.db2.gz AARZRMNSFMVFAX-UHFFFAOYSA-N 0 0 421.500 4.139 50 5 HIBARN Cc1cccc(C)c1NC(=O)CCCCCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000001807612 569053577 /nfs/dbraw/zinc/05/35/77/569053577.db2.gz JLSGZHSNQSZMKP-UHFFFAOYSA-N 0 0 409.442 4.007 50 5 HIBARN Cc1ccc(NC(=O)CCCCCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1C ZINC000001807614 569053589 /nfs/dbraw/zinc/05/35/89/569053589.db2.gz KBAMNBFJUZHTKQ-UHFFFAOYSA-N 0 0 409.442 4.007 50 5 HIBARN CC(C)c1ccc(-c2nn3c(nc2=O)c2ccccc2nc3[C@@H](C)SCCO)cc1 ZINC000521398868 569061513 /nfs/dbraw/zinc/06/15/13/569061513.db2.gz RZYUGNJURXHHFL-OAHLLOKOSA-N 0 0 420.538 4.215 50 5 HIBARN Cn1c2ccccc2nc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000006566906 569066252 /nfs/dbraw/zinc/06/62/52/569066252.db2.gz GFAOXLQEUPRZJO-UHFFFAOYSA-N 0 0 410.377 4.231 50 5 HIBARN Cc1ccc(N(Cc2ccc(F)cc2)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000036247487 569116991 /nfs/dbraw/zinc/11/69/91/569116991.db2.gz LRJUVELUVWVIHI-UHFFFAOYSA-N 0 0 400.431 4.438 50 5 HIBARN CC(C)N(CCc1nc(-c2cccc(Cl)c2)no1)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000006774248 569118347 /nfs/dbraw/zinc/11/83/47/569118347.db2.gz DMGQKKDQUWXKBZ-UHFFFAOYSA-N 0 0 414.849 4.392 50 5 HIBARN COc1ccc([C@H]2c3cccn3CCCN2Cc2ccc([N+](=O)[O-])cc2)cc1OC ZINC000036347681 569144127 /nfs/dbraw/zinc/14/41/27/569144127.db2.gz PTXCSZLAZZUAJU-QHCPKHFHSA-N 0 0 407.470 4.409 50 5 HIBARN Cn1c(SCc2ccc(Br)c([N+](=O)[O-])c2)nnc1-c1ccccc1 ZINC000170617562 569247776 /nfs/dbraw/zinc/24/77/76/569247776.db2.gz XZLZGUANNOFQFQ-UHFFFAOYSA-N 0 0 405.277 4.445 50 5 HIBARN COc1cc([N+](=O)[O-])ccc1NC(=O)Nc1c(C)nn(Cc2ccccc2C)c1C ZINC000013331430 569255198 /nfs/dbraw/zinc/25/51/98/569255198.db2.gz PCIVINYVGBSPLQ-UHFFFAOYSA-N 0 0 409.446 4.417 50 5 HIBARN O=C(CCc1ccccc1)Nc1nnc(SCc2ccc([N+](=O)[O-])cc2)s1 ZINC000016977077 569269486 /nfs/dbraw/zinc/26/94/86/569269486.db2.gz MLWACVSOGSAEHA-UHFFFAOYSA-N 0 0 400.485 4.310 50 5 HIBARN O=C(CN1c2ccccc2S[C@H](c2ccco2)CC1=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000017200662 569276461 /nfs/dbraw/zinc/27/64/61/569276461.db2.gz UOFHEXDJAKCHOR-IBGZPJMESA-N 0 0 423.450 4.397 50 5 HIBARN COc1cc(/C=C/[N+](=O)[O-])cc(I)c1OCc1ccccc1 ZINC000001114195 569277347 /nfs/dbraw/zinc/27/73/47/569277347.db2.gz VLPKXEJGFOKPBA-BQYQJAHWSA-N 0 0 411.195 4.126 50 5 HIBARN CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)cc1OC ZINC000007807836 569312086 /nfs/dbraw/zinc/31/20/86/569312086.db2.gz XUVDZCSDIFNTJI-QRYOHXEKSA-N 0 0 402.491 4.337 50 5 HIBARN CC(=O)NC(=O)c1cc2cc([N+](=O)[O-])ccc2oc1=Nc1cccc2ccccc21 ZINC000252676912 569319698 /nfs/dbraw/zinc/31/96/98/569319698.db2.gz XVLXPJKZMZOZFK-UHFFFAOYSA-N 0 0 401.378 4.003 50 5 HIBARN O=[N+]([O-])c1cc(Cl)c(Cl)c(S(=O)(=O)Nc2cc(F)c(F)cc2F)c1 ZINC000253424427 569368083 /nfs/dbraw/zinc/36/80/83/569368083.db2.gz FWCUSWBRCWIQNM-UHFFFAOYSA-N 0 0 401.149 4.120 50 5 HIBARN CCCCn1cnc2c(c3nc4ccccc4nc3n2-c2ccc(OCC)cc2)c1=O ZINC000002305161 569372410 /nfs/dbraw/zinc/37/24/10/569372410.db2.gz SIPVIPDLNVIIFI-UHFFFAOYSA-N 0 0 413.481 4.482 50 5 HIBARN O=[N+]([O-])c1ccc(NCCCNS(=O)(=O)c2ccc3ccccc3c2)c(Cl)c1 ZINC000008781027 569390267 /nfs/dbraw/zinc/39/02/67/569390267.db2.gz OKHABPHXOYUDNN-UHFFFAOYSA-N 0 0 419.890 4.182 50 5 HIBARN Cc1cccn2cc(-c3ccc(NS(=O)(=O)c4ccc(C)c([N+](=O)[O-])c4)cc3)nc12 ZINC000008833839 569390493 /nfs/dbraw/zinc/39/04/93/569390493.db2.gz PAOSGKCGVDONQM-UHFFFAOYSA-N 0 0 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ZINC000012934836 569026113 /nfs/dbraw/zinc/02/61/13/569026113.db2.gz QBSJUSCBQFULTN-UHFFFAOYSA-N 0 0 408.370 4.196 50 5 HIBARN O=C1NC(=S)SC1=Cc1ccccc1OCCOc1ccc([N+](=O)[O-])cc1 ZINC000016182873 569029680 /nfs/dbraw/zinc/02/96/80/569029680.db2.gz FXRNFQGSMHPUCS-WJDWOHSUSA-N 0 0 402.453 4.382 50 5 HIBARN CCOCCn1c2ccc(C)cc2s/c1=N\C(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000006351823 569045132 /nfs/dbraw/zinc/04/51/32/569045132.db2.gz XPPZZAZRUGXZKU-MOJFTOGDSA-N 0 0 411.483 4.097 50 5 HIBARN COc1ccc(-c2noc([C@H]3CCCN(C(=O)Nc4ccc([N+](=O)[O-])cc4)C3)n2)cc1 ZINC000035726466 569053382 /nfs/dbraw/zinc/05/33/82/569053382.db2.gz FJWYPIDDYFZCFA-HNNXBMFYSA-N 0 0 423.429 4.065 50 5 HIBARN COc1ccc(-c2noc([C@@H]3CCCN(C(=O)Nc4ccc([N+](=O)[O-])cc4)C3)n2)cc1 ZINC000035726464 569053401 /nfs/dbraw/zinc/05/34/01/569053401.db2.gz FJWYPIDDYFZCFA-OAHLLOKOSA-N 0 0 423.429 4.065 50 5 HIBARN O=C(CCCCCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)Nc1cccc(Cl)c1 ZINC000001807641 569053563 /nfs/dbraw/zinc/05/35/63/569053563.db2.gz LUYKTHIXQADBKP-UHFFFAOYSA-N 0 0 415.833 4.043 50 5 HIBARN CCOC(=O)Oc1ccc(/C=C2\N=C(c3ccc([N+](=O)[O-])cc3Cl)OC2=O)cc1 ZINC000001873489 569056802 /nfs/dbraw/zinc/05/68/02/569056802.db2.gz RTNBDNKIFPRRMN-SXGWCWSVSA-N 0 0 416.773 4.128 50 5 HIBARN O=C(N[C@@H](Cc1ccccc1)c1nc(-c2cccc([N+](=O)[O-])c2)no1)c1ccccc1 ZINC000035845026 569062603 /nfs/dbraw/zinc/06/26/03/569062603.db2.gz OFGSCLNCUZQWPU-FQEVSTJZSA-N 0 0 414.421 4.359 50 5 HIBARN COc1ccc(OCC(=O)c2ccc(NC(=O)c3ccccc3)cc2)c([N+](=O)[O-])c1 ZINC000006590858 569068685 /nfs/dbraw/zinc/06/86/85/569068685.db2.gz ISVBAESCQHOTCL-UHFFFAOYSA-N 0 0 406.394 4.117 50 5 HIBARN Cc1cc(C(=O)N2CCCc3c([N+](=O)[O-])ccc(Cl)c32)c2cnn(C(C)C)c2n1 ZINC000089583225 569070721 /nfs/dbraw/zinc/07/07/21/569070721.db2.gz GYWGPEUSPCTAIS-UHFFFAOYSA-N 0 0 413.865 4.475 50 5 HIBARN COc1ccc(N(Cc2ccc(C)cc2)S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000036247054 569116901 /nfs/dbraw/zinc/11/69/01/569116901.db2.gz JJAFPPNOTILXJX-UHFFFAOYSA-N 0 0 412.467 4.307 50 5 HIBARN Cc1ccc(N(Cc2cccc(F)c2)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000036247318 569116954 /nfs/dbraw/zinc/11/69/54/569116954.db2.gz DQQFTFKEDKNGNF-UHFFFAOYSA-N 0 0 400.431 4.438 50 5 HIBARN COc1cccc(CN2CCCn3cccc3[C@@H]2c2ccc([N+](=O)[O-])cc2)c1OC ZINC000036347773 569144213 /nfs/dbraw/zinc/14/42/13/569144213.db2.gz HGEYRDUQQCQBDP-QFIPXVFZSA-N 0 0 407.470 4.409 50 5 HIBARN COc1ccc(OC)c([C@H]2c3cccn3CCCN2Cc2ccccc2[N+](=O)[O-])c1 ZINC000036347994 569144397 /nfs/dbraw/zinc/14/43/97/569144397.db2.gz OGHPGIBWGZZKDA-QHCPKHFHSA-N 0 0 407.470 4.409 50 5 HIBARN O=C(Nc1ccccc1NC(=O)c1cccc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 ZINC000006863796 569157760 /nfs/dbraw/zinc/15/77/60/569157760.db2.gz LPHUJMSALIIJJN-UHFFFAOYSA-N 0 0 406.354 4.008 50 5 HIBARN O=C(COc1ccc([N+](=O)[O-])cc1)N(Cc1ccco1)Cc1cccc(Cl)c1 ZINC000016753960 569262312 /nfs/dbraw/zinc/26/23/12/569262312.db2.gz CRCYGPRFSGQHOS-UHFFFAOYSA-N 0 0 400.818 4.449 50 5 HIBARN CCOC(=O)c1ccc(N2C(=N)S/C(=C\c3ccc(C)c([N+](=O)[O-])c3)C2=O)cc1 ZINC000027533477 569367951 /nfs/dbraw/zinc/36/79/51/569367951.db2.gz QPGVFBOCNCCMEY-GIKHVEQZSA-N 0 0 411.439 4.136 50 5 HIBARN CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NCc2nc3c(s2)CCCC3)CC1 ZINC000078733255 569395264 /nfs/dbraw/zinc/39/52/64/569395264.db2.gz LXAXCNAJMXBJHR-UHFFFAOYSA-N 0 0 414.531 4.096 50 5 HIBARN CC(C)OCCCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000002416607 569397476 /nfs/dbraw/zinc/39/74/76/569397476.db2.gz SGVNMGYDVBKOFM-HXUWFJFHSA-N 0 0 422.437 4.062 50 5 HIBARN CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)CCC(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000012319016 569400284 /nfs/dbraw/zinc/40/02/84/569400284.db2.gz XWUWJQFHHRAQMX-ZTNFWEORSA-N 0 0 419.474 4.105 50 5 HIBARN COc1ccc(-c2cc([N+](=O)[O-])ccc2OCC(=O)N(C)Cc2ccc(F)cc2)cc1 ZINC000012809932 569403697 /nfs/dbraw/zinc/40/36/97/569403697.db2.gz HPWZXOKZZBPMLV-UHFFFAOYSA-N 0 0 424.428 4.447 50 5 HIBARN CSc1ccc(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)cc1[N+](=O)[O-] ZINC000012973354 569405528 /nfs/dbraw/zinc/40/55/28/569405528.db2.gz LVIFMPODNUTLEG-OAHLLOKOSA-N 0 0 400.456 4.065 50 5 HIBARN O=C(CSc1nnc(Nc2ccccc2F)s1)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000013113281 569409122 /nfs/dbraw/zinc/40/91/22/569409122.db2.gz NNPQZWVLRSXJPU-UHFFFAOYSA-N 0 0 423.426 4.199 50 5 HIBARN COc1ccc([C@H]2NC(=O)c3ccccc3N2C)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000019356557 569420179 /nfs/dbraw/zinc/42/01/79/569420179.db2.gz WIKAWOFLHNWCRH-QFIPXVFZSA-N 0 0 419.437 4.061 50 5 HIBARN C[C@H](OC(=O)c1cccc(C(F)(F)F)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000008825295 571121955 /nfs/dbraw/zinc/12/19/55/571121955.db2.gz FQWXJIIONOHGAJ-VIFPVBQESA-N 0 0 416.739 4.451 50 5 HIBARN CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)c1ccc(N2CCCCCC2)nc1 ZINC000040071991 571152620 /nfs/dbraw/zinc/15/26/20/571152620.db2.gz IQRGLCKOWVFJLH-UHFFFAOYSA-N 0 0 402.882 4.296 50 5 HIBARN O=C(N[C@H]1CCCc2c1cnn2Cc1ccccc1)c1ccc([N+](=O)[O-])cc1Cl ZINC000040081833 571156247 /nfs/dbraw/zinc/15/62/47/571156247.db2.gz OXTCGGNRZNIKST-IBGZPJMESA-N 0 0 410.861 4.300 50 5 HIBARN CCCn1c(-c2ccncc2)nn(CN2c3ccc([N+](=O)[O-])cc3C[C@H]2C)c1=S ZINC000040091173 571161259 /nfs/dbraw/zinc/16/12/59/571161259.db2.gz WPPSQZZZQGPEMD-CQSZACIVSA-N 0 0 410.503 4.203 50 5 HIBARN C[C@H]1Oc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3Oc3ccccc3)cc2NC1=O ZINC000040131819 571184258 /nfs/dbraw/zinc/18/42/58/571184258.db2.gz BOHDZJCCVSZRKE-CYBMUJFWSA-N 0 0 419.393 4.359 50 5 HIBARN O=C(NCCc1cn2ccccc2n1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000040132622 571185190 /nfs/dbraw/zinc/18/51/90/571185190.db2.gz JXPNDLSRAXIAKH-UHFFFAOYSA-N 0 0 402.410 4.007 50 5 HIBARN Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1ccc([N+](=O)[O-])cc1)N(Cc1ccco1)C3=O ZINC000009192077 571235524 /nfs/dbraw/zinc/23/55/24/571235524.db2.gz YLASQMQTRJWXJE-HXUWFJFHSA-N 0 0 416.389 4.348 50 5 HIBARN C[C@@H]1CCc2sc3c(c2C1)c1ncnn1c1nnc(SCCc2ccccc2)n31 ZINC000009346444 571250163 /nfs/dbraw/zinc/25/01/63/571250163.db2.gz SWRCUPWRLOTQGA-CYBMUJFWSA-N 0 0 420.567 4.446 50 5 HIBARN CN(c1ccccc1)C1CCN(C(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC1 ZINC000069977801 571252404 /nfs/dbraw/zinc/25/24/04/571252404.db2.gz NUIKALFYXLTBNZ-UHFFFAOYSA-N 0 0 422.529 4.326 50 5 HIBARN O=S(=O)(CCn1c2ccc(F)cc2c2nc3ccccc3nc21)c1ccccc1 ZINC000009419436 571256617 /nfs/dbraw/zinc/25/66/17/571256617.db2.gz ORXAJUNWZYJJJK-UHFFFAOYSA-N 0 0 405.454 4.351 50 5 HIBARN CCn1c(S[C@@H](C)C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)nnc1-c1cccs1 ZINC000009442565 571259376 /nfs/dbraw/zinc/25/93/76/571259376.db2.gz ZRHSLDKKMZJUFR-JTQLQIEISA-N 0 0 421.479 4.193 50 5 HIBARN Cc1ccc(C(=O)c2cc3c(cc2NC(=O)c2cccc([N+](=O)[O-])c2)OCCO3)cc1 ZINC000009892021 571289594 /nfs/dbraw/zinc/28/95/94/571289594.db2.gz HNQULTARCHVZDW-UHFFFAOYSA-N 0 0 418.405 4.158 50 5 HIBARN O=C(Nc1cc(Cl)ccc1Cl)c1ccc(=O)n(Cc2cccc([N+](=O)[O-])c2)c1 ZINC000010187951 571296246 /nfs/dbraw/zinc/29/62/46/571296246.db2.gz JJGVTELWVLOKFH-UHFFFAOYSA-N 0 0 418.236 4.364 50 5 HIBARN CCn1nc(C)c([C@H]2CC(c3cccc(O)c3)=NN2c2ccc([N+](=O)[O-])cc2)c1C ZINC000071785130 571300860 /nfs/dbraw/zinc/30/08/60/571300860.db2.gz YGGKRFWTAWVTHV-OAQYLSRUSA-N 0 0 405.458 4.489 50 5 HIBARN Cc1ccc2nc(COc3ccc(C(=O)Nc4cccc([N+](=O)[O-])c4)cc3)cn2c1 ZINC000010366276 571301424 /nfs/dbraw/zinc/30/14/24/571301424.db2.gz IRRSYGSHNZEXFM-UHFFFAOYSA-N 0 0 402.410 4.382 50 5 HIBARN CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)c1c[nH]c(=S)n1-c1ccccc1 ZINC000010377367 571301570 /nfs/dbraw/zinc/30/15/70/571301570.db2.gz QSLJUUIKSYIFLS-UHFFFAOYSA-N 0 0 402.863 4.369 50 5 HIBARN O=[N+]([O-])c1ccc(Nc2ccc(Br)cc2Br)c2nonc21 ZINC000003879021 845044937 /nfs/dbraw/zinc/04/49/37/845044937.db2.gz IEPNSHHARSWAQQ-UHFFFAOYSA-N 0 0 414.013 4.400 50 5 HIBARN CCOc1ccccc1NC(=O)/C=C/c1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000010660204 845689496 /nfs/dbraw/zinc/68/94/96/845689496.db2.gz JAMDFIWHSNKZAG-CMDGGOBGSA-N 0 0 408.357 4.255 50 5 HIBARN CC(C)OCCCn1c(=O)c2ccccc2nc1S/C=C\c1ccc([N+](=O)[O-])o1 ZINC000096935687 852559038 /nfs/dbraw/zinc/55/90/38/852559038.db2.gz URBPUXPLYYVEGL-RAXLEYEMSA-N 0 0 415.471 4.476 50 5 HIBARN O=[N+]([O-])c1cccc(NC(=S)N2CCN(c3cccc(C(F)(F)F)c3)CC2)c1 ZINC000001118195 132237769 /nfs/dbraw/zinc/23/77/69/132237769.db2.gz SDRUSLWZTNWSPT-UHFFFAOYSA-N 0 0 410.421 4.133 50 5 HIBARN COc1cc2cccnc2c(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)c1 ZINC000004117331 132271451 /nfs/dbraw/zinc/27/14/51/132271451.db2.gz DXSYRKKQQIAOKE-UHFFFAOYSA-N 0 0 406.442 4.394 50 5 biogenic HIBARN O=[N+]([O-])c1cc(-c2nnc(N3CCCCC3)c3ccccc32)ccc1N1CCOCC1 ZINC000004172258 132272541 /nfs/dbraw/zinc/27/25/41/132272541.db2.gz ZEZPPTNPUSUTKX-UHFFFAOYSA-N 0 0 419.485 4.032 50 5 HIBARN Cc1cccc(N2CCN(C(=O)c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)CC2)c1C ZINC000004885588 132291790 /nfs/dbraw/zinc/29/17/90/132291790.db2.gz CWOOEJYANFHTCH-UHFFFAOYSA-N 0 0 422.529 4.164 50 5 HIBARN CCc1ccc(Cl)c(CC)c1NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000004900885 132292213 /nfs/dbraw/zinc/29/22/13/132292213.db2.gz FKNSLYNYSZULCG-UHFFFAOYSA-N 0 0 417.893 4.462 50 5 HIBARN Cc1nc2ccccc2c2oc(C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)cc21 ZINC000004901897 132292384 /nfs/dbraw/zinc/29/23/84/132292384.db2.gz CFUAWBWDTLDWQQ-UHFFFAOYSA-N 0 0 416.437 4.160 50 5 HIBARN O=C(/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1)N1CCN(c2ccccc2)CC1 ZINC000006276787 132310197 /nfs/dbraw/zinc/31/01/97/132310197.db2.gz VMGUBDNODWTKKV-LYBHJNIJSA-N 0 0 413.477 4.484 50 5 HIBARN O=C1c2ccccc2N[C@H](c2cccc([N+](=O)[O-])c2)N1c1ccc2c(c1)OCCO2 ZINC000006788877 132316572 /nfs/dbraw/zinc/31/65/72/132316572.db2.gz SLXUNWUHFQBBBU-NRFANRHFSA-N 0 0 403.394 4.137 50 5 HIBARN O=C(OCc1nnc(-c2cccs2)o1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000007777243 132325667 /nfs/dbraw/zinc/32/56/67/132325667.db2.gz SXNUNMPMAQYUKC-UHFFFAOYSA-N 0 0 414.443 4.054 50 5 HIBARN O=C(Nc1ccc(Oc2ccccc2)cc1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000009745249 132343215 /nfs/dbraw/zinc/34/32/15/132343215.db2.gz DJUMKCWICQJAIW-UHFFFAOYSA-N 0 0 419.437 4.476 50 5 HIBARN COc1cc(OC)c(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1Cl ZINC000012554035 132363423 /nfs/dbraw/zinc/36/34/23/132363423.db2.gz UTOMMZAESKYSIG-UHFFFAOYSA-N 0 0 419.865 4.121 50 5 HIBARN CC(C)Cc1ccc(C(=O)CCC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000032039367 519432168 /nfs/dbraw/zinc/43/21/68/519432168.db2.gz HLGZLDKQGYWWRD-UHFFFAOYSA-N 0 0 423.513 4.105 50 5 HIBARN CN(CCOc1cccc(Cl)c1)C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000032888478 522910039 /nfs/dbraw/zinc/91/00/39/522910039.db2.gz DMNVERKJJWLBCV-UHFFFAOYSA-N 0 0 420.896 4.346 50 5 HIBARN CC(=O)Nc1ccc(Nc2cc(N3CCC[C@H](C)C3)c3nonc3c2[N+](=O)[O-])cc1 ZINC000005035134 534745758 /nfs/dbraw/zinc/74/57/58/534745758.db2.gz NPAVJODBEAENLO-LBPRGKRZSA-N 0 0 410.434 4.069 50 5 HIBARN CC(=O)Nc1ccc(Nc2cc(N3CCC(C)CC3)c3nonc3c2[N+](=O)[O-])cc1 ZINC000005025129 534745577 /nfs/dbraw/zinc/74/55/77/534745577.db2.gz DONLUJZNPFFSOX-UHFFFAOYSA-N 0 0 410.434 4.069 50 5 HIBARN Cc1ccc(S(=O)(=O)N(Cc2cccs2)Cc2cccs2)cc1[N+](=O)[O-] ZINC000020001083 525513468 /nfs/dbraw/zinc/51/34/68/525513468.db2.gz XZJYTYSCUGRLGF-UHFFFAOYSA-N 0 0 408.526 4.417 50 5 HIBARN O=C(c1ccc([N+](=O)[O-])s1)N(Cc1nnc(-c2ccccc2Cl)o1)C1CC1 ZINC000032678697 526718321 /nfs/dbraw/zinc/71/83/21/526718321.db2.gz OYQXNULRVLKVOV-UHFFFAOYSA-N 0 0 404.835 4.165 50 5 HIBARN O=C(C[C@H](c1ccc(F)cc1)N1Cc2ccccc2C1=O)Nc1cccc([N+](=O)[O-])c1 ZINC000020560778 527150404 /nfs/dbraw/zinc/15/04/04/527150404.db2.gz QGFUXLASFRLSSK-OAQYLSRUSA-N 0 0 419.412 4.460 50 5 HIBARN O=C(C[C@H](c1cccs1)N1Cc2ccccc2C1=O)Nc1cccc([N+](=O)[O-])c1 ZINC000020560895 527152009 /nfs/dbraw/zinc/15/20/09/527152009.db2.gz FPEHGQMJDGJYFC-GOSISDBHSA-N 0 0 407.451 4.382 50 5 HIBARN CC(C)=C[C@@H]1[C@@H](C(=O)N2CCN(c3ccc([N+](=O)[O-])c4cnccc43)CC2)C1(C)C ZINC000012558122 535371959 /nfs/dbraw/zinc/37/19/59/535371959.db2.gz LHZAUAYQSLJURN-NQIIRXRSSA-N 0 0 408.502 4.030 50 5 HIBARN CCNc1cc(N2CCN(C(=O)c3ccc(C(C)(C)C)cc3)CC2)ccc1[N+](=O)[O-] ZINC000004740996 535521647 /nfs/dbraw/zinc/52/16/47/535521647.db2.gz GNINISCGBMKRTP-UHFFFAOYSA-N 0 0 410.518 4.287 50 5 HIBARN Cc1[nH]c2nn(-c3ccccc3)c(=O)c-2c2c3cc(Br)ccc3oc(=O)c12 ZINC000020085954 558331004 /nfs/dbraw/zinc/33/10/04/558331004.db2.gz JXMREOPWHKGPEU-UHFFFAOYSA-N 0 0 422.238 4.044 50 5 HIBARN CC1CCN(C(=O)CCc2ccc(Oc3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)cc2)CC1 ZINC000004481152 558602560 /nfs/dbraw/zinc/60/25/60/558602560.db2.gz SOHVRRUFJUZUDM-UHFFFAOYSA-N 0 0 413.430 4.486 50 5 HIBARN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1cccc(I)c1 ZINC000004506163 558618254 /nfs/dbraw/zinc/61/82/54/558618254.db2.gz HQTGBEVRNRGEQQ-UHFFFAOYSA-N 0 0 402.575 4.105 50 5 HIBARN O=C(Cn1c2ccccc2c(=O)c2ccccc21)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000026363757 558659684 /nfs/dbraw/zinc/65/96/84/558659684.db2.gz SQGZWBXNCATBDW-CABCVRRESA-N 0 0 402.416 4.392 50 5 HIBARN Cc1cc(C)n(-c2ccc(CNC(=O)c3cccc([N+](=O)[O-])c3)c(C(F)(F)F)c2)n1 ZINC000060084531 558728172 /nfs/dbraw/zinc/72/81/72/558728172.db2.gz DHGSHLZSOFNXNO-UHFFFAOYSA-N 0 0 418.375 4.346 50 5 HIBARN Cc1onc(-c2ccccc2)c1C(=O)NCCNc1ccc(Cl)cc1[N+](=O)[O-] ZINC000004565292 558728727 /nfs/dbraw/zinc/72/87/27/558728727.db2.gz FEOBDMBGJXVGAK-UHFFFAOYSA-N 0 0 400.822 4.054 50 5 HIBARN Cc1onc(-c2ccccc2)c1C(=O)NCCNc1c(Cl)cccc1[N+](=O)[O-] ZINC000004565291 558728746 /nfs/dbraw/zinc/72/87/46/558728746.db2.gz HGCPSKVQCWAEJH-UHFFFAOYSA-N 0 0 400.822 4.054 50 5 HIBARN CCCCN1C(=O)[C@H]2Cc3c4ccccc4[nH]c3[C@H](c3cccc([N+](=O)[O-])c3)N2C1=O ZINC000022204880 558779181 /nfs/dbraw/zinc/77/91/81/558779181.db2.gz UQRIICVNLMEYOM-CTNGQTDRSA-N 0 0 418.453 4.155 50 5 HIBARN CSCc1c2ccccc2oc1C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000032994611 558808850 /nfs/dbraw/zinc/80/88/50/558808850.db2.gz RUSLENMBHGNUCG-UHFFFAOYSA-N 0 0 400.412 4.228 50 5 HIBARN CCOc1cc(C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc(OCC)c1OCC ZINC000004599388 558829128 /nfs/dbraw/zinc/82/91/28/558829128.db2.gz MFXMQOKMFAHXBT-UHFFFAOYSA-N 0 0 404.419 4.052 50 5 HIBARN O=C(Nc1cc(F)ccc1F)c1nn(C23CC4CC(CC(C4)C2)C3)cc1[N+](=O)[O-] ZINC000004650842 558868809 /nfs/dbraw/zinc/86/88/09/558868809.db2.gz CSIBNBFNWVBZFC-UHFFFAOYSA-N 0 0 402.401 4.247 50 5 HIBARN COCCCn1c(Sc2ccc([N+](=O)[O-])cn2)nnc1-c1ccc(Cl)cc1 ZINC000023616039 559178150 /nfs/dbraw/zinc/17/81/50/559178150.db2.gz BHFOARDLHLNRGN-UHFFFAOYSA-N 0 0 405.867 4.089 50 5 HIBARN CN(C)/C=C/c1c(C(=O)c2ccc3ccccc3c2)nnn1-c1ccc([N+](=O)[O-])cc1 ZINC000050400243 559185324 /nfs/dbraw/zinc/18/53/24/559185324.db2.gz CMBNZIXSVQHNGH-BUHFOSPRSA-N 0 0 413.437 4.092 50 5 HIBARN O=c1c2ccccc2nc(/C=C/c2cccc([N+](=O)[O-])c2)n1-c1ccc2c(c1)OCO2 ZINC000004954569 559216508 /nfs/dbraw/zinc/21/65/08/559216508.db2.gz OYROCFPKVLSZQC-DHZHZOJOSA-N 0 0 413.389 4.193 50 5 HIBARN CCCCOc1ccc([C@@H](C)Nc2c([N+](=O)[O-])nn(-c3ccccc3C)[n+]2[O-])cc1 ZINC000004971348 559220488 /nfs/dbraw/zinc/22/04/88/559220488.db2.gz MGBUROCDVGDVAV-MRXNPFEDSA-N 0 0 411.462 4.074 50 5 HIBARN COc1cc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)ccc1NC(=O)c1ccco1 ZINC000005094349 559243473 /nfs/dbraw/zinc/24/34/73/559243473.db2.gz TWEJSOJSLXPPFW-JXMROGBWSA-N 0 0 407.382 4.101 50 5 HIBARN CC(C)NC(=O)c1ccc(Nc2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000005173314 559287960 /nfs/dbraw/zinc/28/79/60/559287960.db2.gz ZEXIPQOBUZMKCH-UHFFFAOYSA-N 0 0 412.324 4.404 50 5 HIBARN COc1ccc(CCn2cc(OC(C)=O)c3c4nc5ccccc5n4c(C)nc32)cc1 ZINC000005236107 560548475 /nfs/dbraw/zinc/54/84/75/560548475.db2.gz XFFLXWXPCLZCNE-UHFFFAOYSA-N 0 0 414.465 4.322 50 5 HIBARN CCOC(=O)c1cc(C(C)C)sc1NC(=O)CNc1ccc([N+](=O)[O-])cc1OC ZINC000005659735 560639835 /nfs/dbraw/zinc/63/98/35/560639835.db2.gz JTRRYEWOYKIPMG-UHFFFAOYSA-N 0 0 421.475 4.016 50 5 HIBARN Cc1cc(=O)oc2cc(NC(=O)c3cc([N+](=O)[O-])ccc3N3CCCCC3)ccc12 ZINC000014721952 560733158 /nfs/dbraw/zinc/73/31/58/560733158.db2.gz JGOXTDGNPXMKSI-UHFFFAOYSA-N 0 0 407.426 4.252 50 5 HIBARN COc1ccc([C@H]2CCCCCN2C(=O)/C=C/c2cc3c(cc2[N+](=O)[O-])OCO3)cc1 ZINC000024393009 560773164 /nfs/dbraw/zinc/77/31/64/560773164.db2.gz MGDQOMQQACZJKD-UFUQCMIWSA-N 0 0 424.453 4.489 50 5 HIBARN CCOC(=O)c1c(NC(=O)COc2ccc([N+](=O)[O-])cc2)sc2c1CCCCC2 ZINC000005710309 560804992 /nfs/dbraw/zinc/80/49/92/560804992.db2.gz KCMFRZPHXBGREN-UHFFFAOYSA-N 0 0 418.471 4.119 50 5 HIBARN CCn1c2ccc([N+](=O)[O-])cc2s/c1=N/C(=O)c1ccccc1Br ZINC000012180867 560891051 /nfs/dbraw/zinc/89/10/51/560891051.db2.gz GULHFPQGSFWWIX-FBMGVBCBSA-N 0 0 406.261 4.135 50 5 HIBARN Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1ncc(Cc2ccc(C)c(Cl)c2)s1 ZINC000048355157 568441361 /nfs/dbraw/zinc/44/13/61/568441361.db2.gz KAQYVIQHCSTJAX-UHFFFAOYSA-N 0 0 419.894 4.138 50 5 HIBARN COC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)sc2c1CC[C@H](C)C2 ZINC000000668447 568460110 /nfs/dbraw/zinc/46/01/10/568460110.db2.gz ORULKKDBUFKXSB-VIFPVBQESA-N 0 0 408.863 4.473 50 5 HIBARN Cc1nn(Cc2c(F)cccc2Cl)c(C)c1NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000000673081 568460634 /nfs/dbraw/zinc/46/06/34/568460634.db2.gz SHOZSHKJALRECR-UHFFFAOYSA-N 0 0 416.840 4.430 50 5 HIBARN O=C(COc1ccc2ccccc2c1Br)Oc1cccc([N+](=O)[O-])c1 ZINC000000673892 568460976 /nfs/dbraw/zinc/46/09/76/568460976.db2.gz GUBSWKANQDQRAR-UHFFFAOYSA-N 0 0 402.200 4.495 50 5 HIBARN O=C(NCc1ccccc1)C1CCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1 ZINC000024748822 568461217 /nfs/dbraw/zinc/46/12/17/568461217.db2.gz WDOCUQTXGPUXHJ-UHFFFAOYSA-N 0 0 407.392 4.146 50 5 HIBARN CCOc1ccc2nc(SCC(=O)Nc3ccc(F)c([N+](=O)[O-])c3)sc2c1 ZINC000000712832 568465478 /nfs/dbraw/zinc/46/54/78/568465478.db2.gz RLNGHEHTQFIMPP-UHFFFAOYSA-N 0 0 407.448 4.473 50 5 HIBARN O=C(Oc1ccc(/C=C2/N=C(c3ccccc3)OC2=O)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000000779765 568473643 /nfs/dbraw/zinc/47/36/43/568473643.db2.gz UFKKTENDATUZIG-XSFVSMFZSA-N 0 0 414.373 4.159 50 5 HIBARN O=C1c2cccc3c2c(cc([N+](=O)[O-])c3N2CCCC2)C(=O)N1CCc1ccccc1 ZINC000095471605 568626808 /nfs/dbraw/zinc/62/68/08/568626808.db2.gz RSUYSNLYIFVDMT-UHFFFAOYSA-N 0 0 415.449 4.187 50 5 HIBARN CCCn1c(Cn2ccnc2C)nc2cc(NC(=O)c3cccc([N+](=O)[O-])c3)ccc21 ZINC000020893246 568648372 /nfs/dbraw/zinc/64/83/72/568648372.db2.gz QSOHRHQNKVXIBA-UHFFFAOYSA-N 0 0 418.457 4.160 50 5 HIBARN CC(=O)N1N=C(COc2ccc(Cl)cc2Cl)O[C@H]1c1ccccc1[N+](=O)[O-] ZINC000021151622 568672278 /nfs/dbraw/zinc/67/22/78/568672278.db2.gz IPYUAFUGJURKQD-KRWDZBQOSA-N 0 0 410.213 4.171 50 5 HIBARN CC[C@@H](C)[C@H](NC(=O)c1ccc(OC)cc1)c1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000096277350 568716159 /nfs/dbraw/zinc/71/61/59/568716159.db2.gz YKXVRPDDVVWGFK-ACJLOTCBSA-N 0 0 410.430 4.171 50 5 HIBARN CC[C@@H](C)[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nc(-c2cccc(OC)c2)no1 ZINC000096277988 568716369 /nfs/dbraw/zinc/71/63/69/568716369.db2.gz GPEQIJLQKXUTQG-FZKQIMNGSA-N 0 0 410.430 4.171 50 5 HIBARN Cc1ccc([N+](=O)[O-])c(OCC(=O)N2c3ccccc3OC[C@@H]2c2ccccc2)c1 ZINC000021616045 568723358 /nfs/dbraw/zinc/72/33/58/568723358.db2.gz DSELNRSPWBEVRR-HXUWFJFHSA-N 0 0 404.422 4.449 50 5 HIBARN Cc1nccc(-c2cccc(NC(=O)c3cc([N+](=O)[O-])ccc3N3CCCC3)c2)n1 ZINC000025168559 568758460 /nfs/dbraw/zinc/75/84/60/568758460.db2.gz JSAAWSPLXNUOKK-UHFFFAOYSA-N 0 0 403.442 4.213 50 5 HIBARN COc1cc(C(=O)Nc2nc(-c3cccc(F)c3)cs2)c([N+](=O)[O-])cc1OC ZINC000025322192 568763726 /nfs/dbraw/zinc/76/37/26/568763726.db2.gz NYZTVJWUKOEYNN-UHFFFAOYSA-N 0 0 403.391 4.127 50 5 HIBARN Nc1c(C(=O)Nc2ccccc2)c(-c2cccs2)nn1-c1ccc([N+](=O)[O-])cc1 ZINC000001035536 568764114 /nfs/dbraw/zinc/76/41/14/568764114.db2.gz RKIDHHXPWQCASH-UHFFFAOYSA-N 0 0 405.439 4.344 50 5 HIBARN Cc1c(Br)c([N+](=O)[O-])nn1[C@@H](C)C(=O)Nc1ccccc1C(F)(F)F ZINC000001069549 568766254 /nfs/dbraw/zinc/76/62/54/568766254.db2.gz RFQHESRODRFROY-QMMMGPOBSA-N 0 0 421.173 4.081 50 5 HIBARN COc1ccc([C@@H](NC(=O)c2cccc([N+](=O)[O-])c2Br)C2CC2)cc1 ZINC000097236717 568770441 /nfs/dbraw/zinc/77/04/41/568770441.db2.gz AIKFCFYKGBQDDH-KRWDZBQOSA-N 0 0 405.248 4.247 50 5 HIBARN Cc1nn2c(-c3cccc(NC(=O)c4ccc([N+](=O)[O-])cc4)c3)nnc2c2ccccc12 ZINC000001114289 568770807 /nfs/dbraw/zinc/77/08/07/568770807.db2.gz UFHHRZZGWUMDRO-UHFFFAOYSA-N 0 0 424.420 4.413 50 5 HIBARN CSc1nnc2c(n1)O[C@@H](c1cc([N+](=O)[O-])ccc1Cl)Nc1ccccc1-2 ZINC000001118879 568770959 /nfs/dbraw/zinc/77/09/59/568770959.db2.gz YMUTXGSDVQOTNS-HNNXBMFYSA-N 0 0 401.835 4.325 50 5 HIBARN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccccc1C(=O)NCc1ccccc1 ZINC000001149713 568772795 /nfs/dbraw/zinc/77/27/95/568772795.db2.gz NDKVHBWUOPEJKB-NTCAYCPXSA-N 0 0 401.422 4.177 50 5 HIBARN O=C(COc1cccc([N+](=O)[O-])c1)Nc1cccc(-c2nnc(-c3ccccc3)o2)c1 ZINC000001161627 568775178 /nfs/dbraw/zinc/77/51/78/568775178.db2.gz KWIYNEUGXAGPHU-UHFFFAOYSA-N 0 0 416.393 4.329 50 5 HIBARN Cc1nn(-c2ccccc2)c(C)c1N1C(=O)c2cccc3cc([N+](=O)[O-])cc(c32)C1=O ZINC000001161178 568775239 /nfs/dbraw/zinc/77/52/39/568775239.db2.gz JCIULVXSBJHXHQ-UHFFFAOYSA-N 0 0 412.405 4.351 50 5 HIBARN COc1ccc(C2(CNC(=O)/C=C/c3cccc([N+](=O)[O-])c3)CCCC2)cc1OC ZINC000001165815 568775725 /nfs/dbraw/zinc/77/57/25/568775725.db2.gz RTSRXVYSPOAJRF-DHZHZOJOSA-N 0 0 410.470 4.253 50 5 HIBARN Cc1nc(C)c([C@H](C)NC(=O)c2ccc(N3CCC[C@H](C)C3)c([N+](=O)[O-])c2)s1 ZINC000056021994 568784846 /nfs/dbraw/zinc/78/48/46/568784846.db2.gz ZMTMSIFVXABXNW-JSGCOSHPSA-N 0 0 402.520 4.395 50 5 HIBARN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC=C(c2c[nH]c3cc(F)ccc32)CC1 ZINC000056066649 568785109 /nfs/dbraw/zinc/78/51/09/568785109.db2.gz XXINVFMGKGJADQ-UHFFFAOYSA-N 0 0 415.446 4.002 50 5 HIBARN Cc1ccc([C@@]2(C)NC(=O)N(Cc3cc(=O)oc4ccc5ccccc5c34)C2=O)cc1 ZINC000002663550 568799685 /nfs/dbraw/zinc/79/96/85/568799685.db2.gz POMPOTLMSJFSCZ-RUZDIDTESA-N 0 0 412.445 4.222 50 5 HIBARN O=C(NCCC(c1ccccc1)c1ccccc1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000002741432 568805819 /nfs/dbraw/zinc/80/58/19/568805819.db2.gz YLTXWKZFPJUUNL-UHFFFAOYSA-N 0 0 405.410 4.455 50 5 HIBARN CCOc1cc(C=O)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000002766884 568807311 /nfs/dbraw/zinc/80/73/11/568807311.db2.gz BCEPPPNBPIRMQB-UHFFFAOYSA-N 0 0 411.164 4.269 50 5 HIBARN O=C1c2oc3ccc(F)cc3c(=O)c2[C@@H](c2ccc([N+](=O)[O-])cc2)N1c1nccs1 ZINC000002850910 568813066 /nfs/dbraw/zinc/81/30/66/568813066.db2.gz GWQMMGLZZKCDFX-MRXNPFEDSA-N 0 0 423.381 4.047 50 5 HIBARN CC(C)N(Cc1nc(-c2ccccc2)no1)C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000002875242 568813928 /nfs/dbraw/zinc/81/39/28/568813928.db2.gz UPMMNQZJMVAAEO-UHFFFAOYSA-N 0 0 400.822 4.349 50 5 HIBARN CCCCCOC(=O)Nc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000002899172 568815107 /nfs/dbraw/zinc/81/51/07/568815107.db2.gz FMZYZGNBSCKVMO-UHFFFAOYSA-N 0 0 407.448 4.134 50 5 HIBARN O=C1c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000002923766 568816817 /nfs/dbraw/zinc/81/68/17/568816817.db2.gz LWEVMDCIHMQUTE-UHFFFAOYSA-N 0 0 405.322 4.096 50 5 HIBARN O=C(Nc1cccc(I)c1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000001170332 568818810 /nfs/dbraw/zinc/81/88/10/568818810.db2.gz LXKJWZGMTCHYKL-UHFFFAOYSA-N 0 0 402.575 4.105 50 5 HIBARN CCOc1ccc(/C=C2/N=C(c3ccc(Cl)c([N+](=O)[O-])c3)OC2=O)cc1OC ZINC000001193121 568822829 /nfs/dbraw/zinc/82/28/29/568822829.db2.gz TWBGPVQNQSXDEN-RIYZIHGNSA-N 0 0 402.790 4.000 50 5 HIBARN CCOc1ccc(-n2nc3ccc(NC(=O)c4ccc(C)c([N+](=O)[O-])c4)cc3n2)cc1 ZINC000001209656 568823539 /nfs/dbraw/zinc/82/35/39/568823539.db2.gz YQZHYUJVFHKDPA-UHFFFAOYSA-N 0 0 417.425 4.288 50 5 HIBARN Cc1cccc(NC(=O)C2CCN(c3ccc([N+](=O)[O-])cc3C(F)(F)F)CC2)n1 ZINC000057139369 568824252 /nfs/dbraw/zinc/82/42/52/568824252.db2.gz LENYWOOAZYXMPV-UHFFFAOYSA-N 0 0 408.380 4.172 50 5 HIBARN COc1ccc([N+](=O)[O-])cc1OCc1csc(N(C(C)=O)c2ccccc2F)n1 ZINC000031673881 568837697 /nfs/dbraw/zinc/83/76/97/568837697.db2.gz YKBZTQZJWZNKOB-UHFFFAOYSA-N 0 0 417.418 4.463 50 5 HIBARN O=C(CSc1ccc(Cl)cc1)Nc1nnc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000003011419 568838026 /nfs/dbraw/zinc/83/80/26/568838026.db2.gz MZDONLQJSYSQHI-UHFFFAOYSA-N 0 0 406.876 4.498 50 5 HIBARN Cc1ccc(C(=O)N/C(=C/c2cccc([N+](=O)[O-])c2)C(=O)NC2CCCCC2)cc1 ZINC000001225495 568838435 /nfs/dbraw/zinc/83/84/35/568838435.db2.gz DYIRRXXCXBLIRR-RCCKNPSSSA-N 0 0 407.470 4.123 50 5 HIBARN CCN(CC)S(=O)(=O)c1ccc(N[C@@H]2CCC[C@@H](C(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC000012517247 568840767 /nfs/dbraw/zinc/84/07/67/568840767.db2.gz XNQLBPYSZFNVKN-CHWSQXEVSA-N 0 0 423.457 4.158 50 5 HIBARN O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1ccc(OCc2cn3ccccc3n2)cc1 ZINC000012520713 568841259 /nfs/dbraw/zinc/84/12/59/568841259.db2.gz KQGDXBGFGGINEW-UHFFFAOYSA-N 0 0 406.373 4.213 50 5 HIBARN CCNc1ccc(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)cc1[N+](=O)[O-] ZINC000012564653 568859786 /nfs/dbraw/zinc/85/97/86/568859786.db2.gz UZELLXAXYJIPSK-SFHVURJKSA-N 0 0 411.458 4.165 50 5 HIBARN Cc1nc(-c2ccc3c(c2)CCN3CC(=O)Nc2ccc(F)cc2[N+](=O)[O-])cs1 ZINC000012565350 568859993 /nfs/dbraw/zinc/85/99/93/568859993.db2.gz IKXBEGFRLHDUQA-UHFFFAOYSA-N 0 0 412.446 4.167 50 5 HIBARN O=C1c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2C(=O)N1c1ccccc1 ZINC000003196351 568861143 /nfs/dbraw/zinc/86/11/43/568861143.db2.gz JUELCHAGSGQRJN-UHFFFAOYSA-N 0 0 405.322 4.096 50 5 HIBARN O=C(Nc1ccccc1-c1nc2ccccc2[nH]1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000012603327 568870400 /nfs/dbraw/zinc/87/04/00/568870400.db2.gz JTKBAXPISRZCLE-UHFFFAOYSA-N 0 0 403.354 4.299 50 5 HIBARN COc1cc([N+](=O)[O-])ccc1NC(=O)CNc1ccccc1N(C)Cc1ccccc1 ZINC000058005616 568874718 /nfs/dbraw/zinc/87/47/18/568874718.db2.gz OVVBITGYYYWZCU-UHFFFAOYSA-N 0 0 420.469 4.290 50 5 HIBARN CC(C)NC(=O)c1ccccc1Nc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000004058931 568880929 /nfs/dbraw/zinc/88/09/29/568880929.db2.gz ZQCRPVRPVWXYDX-UHFFFAOYSA-N 0 0 412.324 4.404 50 5 HIBARN CCOc1ccc([N+](=O)[O-])cc1CNCc1ccc(Oc2ccc(OC)cc2)nc1 ZINC000058138856 568890582 /nfs/dbraw/zinc/89/05/82/568890582.db2.gz KPQGPDYZVKNRII-UHFFFAOYSA-N 0 0 409.442 4.479 50 5 HIBARN COc1ccc(C(=O)OCc2cc(=O)oc3ccc4ccccc4c23)c(OC)c1OC ZINC000003512824 568911309 /nfs/dbraw/zinc/91/13/09/568911309.db2.gz STNLALFANQFIAY-UHFFFAOYSA-N 0 0 420.417 4.329 50 5 HIBARN Cc1sc(-n2cccc2)c(C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)c1C ZINC000031416815 568925921 /nfs/dbraw/zinc/92/59/21/568925921.db2.gz UWWILGCBLWCKPY-UHFFFAOYSA-N 0 0 410.499 4.026 50 5 HIBARN O=C(Nc1ccc([N+](=O)[O-])cc1)c1cc([N+](=O)[O-])ccc1NCCc1ccccc1 ZINC000004014291 568933531 /nfs/dbraw/zinc/93/35/31/568933531.db2.gz QYQVYIVHPDLHML-UHFFFAOYSA-N 0 0 406.398 4.410 50 5 HIBARN O=C(Nc1ccccc1[N+](=O)[O-])N[C@@]1(C(F)(F)F)Oc2ccc(Cl)cc2O1 ZINC000004128630 568945206 /nfs/dbraw/zinc/94/52/06/568945206.db2.gz SBXAOOLEPPCHRX-HNNXBMFYSA-N 0 0 403.700 4.057 50 5 HIBARN CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)CCC(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000004179318 568948080 /nfs/dbraw/zinc/94/80/80/568948080.db2.gz XWUWJQFHHRAQMX-XFQXTVEOSA-N 0 0 419.474 4.105 50 5 biogenic HIBARN COc1ccccc1NC(=O)c1cc(C(=O)Nc2ccccc2OC)cc([N+](=O)[O-])c1 ZINC000004180029 568948223 /nfs/dbraw/zinc/94/82/23/568948223.db2.gz GRGSGYNKTNBFLR-UHFFFAOYSA-N 0 0 421.409 4.117 50 5 HIBARN COc1cc(C(=O)N[C@@H]2CCSc3ccc(Cl)cc32)c([N+](=O)[O-])cc1OC ZINC000012768011 568949575 /nfs/dbraw/zinc/94/95/75/568949575.db2.gz SYTKESKCDVHWOB-CYBMUJFWSA-N 0 0 408.863 4.232 50 5 HIBARN CCOC(=O)c1sc(NC(=O)c2cccc(C)c2[N+](=O)[O-])nc1-c1ccccc1 ZINC000015614030 568954432 /nfs/dbraw/zinc/95/44/32/568954432.db2.gz SQINIPSELVCOBJ-UHFFFAOYSA-N 0 0 411.439 4.456 50 5 HIBARN C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2 ZINC000012777128 568955491 /nfs/dbraw/zinc/95/54/91/568955491.db2.gz UPRNLPRKGGGJRN-AWEZNQCLSA-N 0 0 408.433 4.242 50 5 HIBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(OCc2cn3ccccc3n2)cc1 ZINC000015629660 568956513 /nfs/dbraw/zinc/95/65/13/568956513.db2.gz GDEZJLJUMMXTNW-UHFFFAOYSA-N 0 0 402.410 4.382 50 5 HIBARN Cc1ccc(C(=O)NC[C@H](c2cccs2)N2CCc3ccccc32)cc1[N+](=O)[O-] ZINC000004305543 568960329 /nfs/dbraw/zinc/96/03/29/568960329.db2.gz KDTWLUFNAOQVML-HXUWFJFHSA-N 0 0 407.495 4.499 50 5 HIBARN CCOc1ccc(-c2nc(NC(=O)CC)c3c(=O)oc4c(OC)cccc4c3n2)cc1 ZINC000001441082 568969262 /nfs/dbraw/zinc/96/92/62/568969262.db2.gz FPBOJJZADVMTFB-UHFFFAOYSA-N 0 0 419.437 4.159 50 5 HIBARN Cc1ccccc1N[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(Cl)(Cl)Cl ZINC000001450872 568986319 /nfs/dbraw/zinc/98/63/19/568986319.db2.gz ZXVXSZJIHKYAKY-OAHLLOKOSA-N 0 0 402.665 4.441 50 5 HIBARN Cc1cccc(N[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2)C(Cl)(Cl)Cl)c1 ZINC000001452524 568986630 /nfs/dbraw/zinc/98/66/30/568986630.db2.gz KHAAMTBITQUKQP-OAHLLOKOSA-N 0 0 402.665 4.441 50 5 HIBARN C[C@@H]1CCc2sc(C(=O)OCC(=O)Nc3cc(Cl)ccc3[N+](=O)[O-])cc2C1 ZINC000006052566 568988223 /nfs/dbraw/zinc/98/82/23/568988223.db2.gz MLBNZEWDZXAYOZ-SNVBAGLBSA-N 0 0 408.863 4.230 50 5 HIBARN Cc1ccc(C(=O)O[C@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1 ZINC000008393246 568998709 /nfs/dbraw/zinc/99/87/09/568998709.db2.gz LAGNCBXAINXIBD-CYBMUJFWSA-N 0 0 411.439 4.211 50 5 HIBARN COc1cc([N+](=O)[O-])ccc1NC(=O)[C@@H](C)Sc1nc(C)c(C)n1CC(C)C ZINC000008424707 569002009 /nfs/dbraw/zinc/00/20/09/569002009.db2.gz ATGVDZPMHNTKGT-CQSZACIVSA-N 0 0 406.508 4.192 50 5 HIBARN O=c1/c(=C\c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)sc2nc3ccccc3n12 ZINC000008439244 569003051 /nfs/dbraw/zinc/00/30/51/569003051.db2.gz AZARPWMMUILAMF-VCHYOVAHSA-N 0 0 423.837 4.279 50 5 HIBARN Cc1ccc([C@@H](Nc2nc3ccccn3c(=O)c2[N+](=O)[O-])c2ccccc2)cc1C ZINC000012906185 569021250 /nfs/dbraw/zinc/02/12/50/569021250.db2.gz VWSSCNULWSLKHZ-FQEVSTJZSA-N 0 0 400.438 4.421 50 5 HIBARN O=[N+]([O-])c1cc(S(=O)(=O)N2CCC[C@H]2c2nc3ccccc3s2)ccc1Cl ZINC000012937736 569027874 /nfs/dbraw/zinc/02/78/74/569027874.db2.gz CWZYCBFZDDFUQH-AWEZNQCLSA-N 0 0 423.903 4.384 50 5 HIBARN O=C(Nc1cccc([N+](=O)[O-])c1)c1cccc(C(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000001738764 569040055 /nfs/dbraw/zinc/04/00/55/569040055.db2.gz XNLJYGLAIAFHNG-UHFFFAOYSA-N 0 0 406.354 4.008 50 5 HIBARN COc1ccccc1Nc1ccc([N+](=O)[O-])cc1NCC(=O)N1CCc2ccccc21 ZINC000006510450 569062142 /nfs/dbraw/zinc/06/21/42/569062142.db2.gz WEPDBIGURVTPTQ-UHFFFAOYSA-N 0 0 418.453 4.348 50 5 HIBARN O=C(c1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](OCc2cccc(C(F)(F)F)c2)C1 ZINC000036315264 569134749 /nfs/dbraw/zinc/13/47/49/569134749.db2.gz UWVRFLXBZAMRON-GOSISDBHSA-N 0 0 408.376 4.435 50 5 HIBARN COc1ccc([N+](=O)[O-])cc1CN1CCCn2cccc2[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000036347778 569144310 /nfs/dbraw/zinc/14/43/10/569144310.db2.gz PKKFPXYFWSWRCR-JOCHJYFZSA-N 0 0 422.441 4.308 50 5 HIBARN COc1ccc(OC)c([C@H]2c3cccn3CCCN2Cc2ccc([N+](=O)[O-])cc2)c1 ZINC000036347992 569144346 /nfs/dbraw/zinc/14/43/46/569144346.db2.gz HQOGDBITGKKXTN-QHCPKHFHSA-N 0 0 407.470 4.409 50 5 HIBARN O=C(Nc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000001711013 569144956 /nfs/dbraw/zinc/14/49/56/569144956.db2.gz NPYZUPPARJCROL-UHFFFAOYSA-N 0 0 406.354 4.008 50 5 HIBARN C[C@H]1C(=O)N(c2ccccc2-c2ccccc2)CCN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000037276197 569245906 /nfs/dbraw/zinc/24/59/06/569245906.db2.gz IEMCGKLEGROAQV-KRWDZBQOSA-N 0 0 415.449 4.139 50 5 HIBARN O=C(COc1ccc([N+](=O)[O-])cc1)Oc1cc2sc(=O)oc2c(-c2ccccc2)c1 ZINC000016750813 569262333 /nfs/dbraw/zinc/26/23/33/569262333.db2.gz JAUWBIIFCBVCAU-UHFFFAOYSA-N 0 0 423.402 4.414 50 5 HIBARN Cc1cncn1CCCNC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000089702460 569262801 /nfs/dbraw/zinc/26/28/01/569262801.db2.gz HATXIGINPGJQQE-UHFFFAOYSA-N 0 0 414.849 4.366 50 5 HIBARN Cc1cc([N+](=O)[O-])ccc1NC(=O)c1ccc(Cn2cc(Br)cn2)cc1 ZINC000017090196 569274224 /nfs/dbraw/zinc/27/42/24/569274224.db2.gz ACOLNODOMJJWGV-UHFFFAOYSA-N 0 0 415.247 4.163 50 5 HIBARN O=C(OCCCCc1nc2ccccc2s1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000002194488 569294183 /nfs/dbraw/zinc/29/41/83/569294183.db2.gz YMLOBHWCCBCLQN-UHFFFAOYSA-N 0 0 401.400 4.292 50 5 HIBARN Cc1ccc(-c2nc3c(c(=O)c4ccccc4n3C)c(=O)n2Cc2ccccc2)cc1 ZINC000002205262 569296421 /nfs/dbraw/zinc/29/64/21/569296421.db2.gz ZOAFHCVNOSMUBF-UHFFFAOYSA-N 0 0 407.473 4.272 50 5 HIBARN O=C(c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)N1C[C@H](c2ccccc2)[C@@H]2CCC[C@H]21 ZINC000242324484 569321605 /nfs/dbraw/zinc/32/16/05/569321605.db2.gz ZBRVJKQVRZUXFZ-LDQXTDLNSA-N 0 0 403.438 4.257 50 5 HIBARN O=C(c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)N1C[C@H](c2ccccc2)[C@H]2CCC[C@@H]21 ZINC000242324483 569321621 /nfs/dbraw/zinc/32/16/21/569321621.db2.gz ZBRVJKQVRZUXFZ-BSIFCXSSSA-N 0 0 403.438 4.257 50 5 HIBARN Cc1onc(-c2ccccc2)c1C(=O)OCC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000002284134 569364364 /nfs/dbraw/zinc/36/43/64/569364364.db2.gz UGBSZXKBAZTLQS-UHFFFAOYSA-N 0 0 400.774 4.251 50 5 HIBARN Cc1nc2c(c3nc4ccccc4nc3n2Cc2ccccc2)c(=O)n1Cc1ccco1 ZINC000002319019 569374338 /nfs/dbraw/zinc/37/43/38/569374338.db2.gz OCEMPDJDQBZMNL-UHFFFAOYSA-N 0 0 421.460 4.292 50 5 HIBARN Cc1ccc(CNC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1 ZINC000009426466 569392575 /nfs/dbraw/zinc/39/25/75/569392575.db2.gz KSQBGVDQRNPUBU-UHFFFAOYSA-N 0 0 403.438 4.394 50 5 HIBARN Cc1ccc(CNC(=O)c2ccccc2NC(=O)c2cccc(C)c2[N+](=O)[O-])cc1 ZINC000009426497 569392695 /nfs/dbraw/zinc/39/26/95/569392695.db2.gz FGOBRPSSRKBGAE-UHFFFAOYSA-N 0 0 403.438 4.394 50 5 HIBARN CCOCCCn1cnc2c(c3nc4ccccc4nc3n2C2CCCCC2)c1=O ZINC000002404544 569395996 /nfs/dbraw/zinc/39/59/96/569395996.db2.gz VOPSSEABUNNMLP-UHFFFAOYSA-N 0 0 405.502 4.226 50 5 HIBARN CCCn1c(C)nc2c(c3nc4ccccc4nc3n2-c2ccc(OCC)cc2)c1=O ZINC000002405445 569396048 /nfs/dbraw/zinc/39/60/48/569396048.db2.gz IENXLPIZZXNLNE-UHFFFAOYSA-N 0 0 413.481 4.401 50 5 HIBARN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Oc1c(C)cc(Br)cc1C ZINC000012137696 569399610 /nfs/dbraw/zinc/39/96/10/569399610.db2.gz ZHPSPLHLXOPIJZ-GFCCVEGCSA-N 0 0 423.263 4.389 50 5 HIBARN C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)[C@H]1CCCN(C(=O)Nc2ccccc2)C1 ZINC000007949562 569403046 /nfs/dbraw/zinc/40/30/46/569403046.db2.gz TVYXYIYENRSESV-WMZOPIPTSA-N 0 0 410.474 4.058 50 5 HIBARN COc1ccc(Cl)cc1NC(=O)CSc1nccn1-c1ccc([N+](=O)[O-])cc1 ZINC000013284048 569410495 /nfs/dbraw/zinc/41/04/95/569410495.db2.gz AZROTCWHRKKINQ-UHFFFAOYSA-N 0 0 418.862 4.173 50 5 HIBARN COc1ccccc1CNc1ccc(-c2nc(-c3ccncc3)no2)cc1[N+](=O)[O-] ZINC000008586788 571083454 /nfs/dbraw/zinc/08/34/54/571083454.db2.gz YKXRIRZDBNMTIV-UHFFFAOYSA-N 0 0 403.398 4.328 50 5 HIBARN O=C1OC(C=Cc2cccc([N+](=O)[O-])c2)=NC1=CNc1ccccc1Br ZINC000008672961 571100397 /nfs/dbraw/zinc/10/03/97/571100397.db2.gz LVOXIQUFXCIKMT-CEKJNPHKSA-N 0 0 414.215 4.279 50 5 HIBARN CC(=O)OCCCNc1cc(Sc2ccc(Cl)cc2)c2nonc2c1[N+](=O)[O-] ZINC000008683039 571101334 /nfs/dbraw/zinc/10/13/34/571101334.db2.gz IGDPIHXBNIIOQH-UHFFFAOYSA-N 0 0 422.850 4.301 50 5 HIBARN Cc1occc1-c1nnc(S[C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)n1C ZINC000008860723 571128452 /nfs/dbraw/zinc/12/84/52/571128452.db2.gz MTMOCLPICDKIKJ-NSHDSACASA-N 0 0 412.431 4.195 50 5 HIBARN O=C(Nc1ccc(SCc2cccnc2)cc1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000040070102 571151172 /nfs/dbraw/zinc/15/11/72/571151172.db2.gz PVVLQZRDZRNCDS-UHFFFAOYSA-N 0 0 405.439 4.411 50 5 HIBARN O=C(CCn1ncc2ccc([N+](=O)[O-])cc21)N[C@@H](c1cccs1)c1ccc(F)cc1 ZINC000040115137 571172733 /nfs/dbraw/zinc/17/27/33/571172733.db2.gz VNSXBZHWKHBEDW-OAQYLSRUSA-N 0 0 424.457 4.441 50 5 HIBARN Cc1c(CSc2nc3ccccc3c(=O)n2C[C@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000040127422 571179214 /nfs/dbraw/zinc/17/92/14/571179214.db2.gz OEHNGMDJPNJKND-MRXNPFEDSA-N 0 0 411.483 4.084 50 5 HIBARN O=C(Nc1cc(CC2CCCCC2)[nH]n1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000040156144 571203246 /nfs/dbraw/zinc/20/32/46/571203246.db2.gz GSBWYOMHBNVDCM-UHFFFAOYSA-N 0 0 411.506 4.296 50 5 HIBARN O=C(Nc1nnc(-c2ccc([N+](=O)[O-])cc2)s1)c1ccc(Br)cc1 ZINC000009065147 571217799 /nfs/dbraw/zinc/21/77/99/571217799.db2.gz ZPCIZSMFWFVHCR-UHFFFAOYSA-N 0 0 405.233 4.128 50 5 HIBARN C[C@H]1CCc2c(sc3c2c2ncnn2c2nnc(SCCc4ccccc4)n32)C1 ZINC000009345683 571250043 /nfs/dbraw/zinc/25/00/43/571250043.db2.gz WIJPOKYFRFDYNU-ZDUSSCGKSA-N 0 0 420.567 4.446 50 5 HIBARN C[C@@H]1CCc2c(sc3c2c2ncnn2c2nnc(SCCc4ccccc4)n32)C1 ZINC000009345682 571250053 /nfs/dbraw/zinc/25/00/53/571250053.db2.gz WIJPOKYFRFDYNU-CYBMUJFWSA-N 0 0 420.567 4.446 50 5 HIBARN O=C(c1cccc(Br)c1)N1CCN=C1SCc1ccc([N+](=O)[O-])cc1 ZINC000009381054 571253817 /nfs/dbraw/zinc/25/38/17/571253817.db2.gz RTLNPPUDXSVLRM-UHFFFAOYSA-N 0 0 420.288 4.103 50 5 HIBARN Cn1c(=O)c2c(-c3ccc(F)cc3)csc2nc1Sc1ncccc1[N+](=O)[O-] ZINC000009492656 571262891 /nfs/dbraw/zinc/26/28/91/571262891.db2.gz CHLAAPZJYPBNOE-UHFFFAOYSA-N 0 0 414.443 4.256 50 5 HIBARN Cc1cc2nc(N3CCN(C(=O)/C=C/c4ccc([N+](=O)[O-])cc4)CC3)sc2cc1C ZINC000010187273 571296044 /nfs/dbraw/zinc/29/60/44/571296044.db2.gz MMOAZYLTEMRFTI-VMPITWQZSA-N 0 0 422.510 4.183 50 5 HIBARN Cc1cc2nc(N3CCN(C(=O)/C=C/c4cccc([N+](=O)[O-])c4)CC3)sc2cc1C ZINC000010187272 571296078 /nfs/dbraw/zinc/29/60/78/571296078.db2.gz MUXMGASXXMHCCZ-VOTSOKGWSA-N 0 0 422.510 4.183 50 5 HIBARN Cc1ccc(C(=O)Oc2ccc(N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)cc2)cc1C ZINC000001171033 845003110 /nfs/dbraw/zinc/00/31/10/845003110.db2.gz HEYBAEJLXBQLOL-UHFFFAOYSA-N 0 0 416.389 4.231 50 5 HIBARN C[C@@H](OC(=O)/C=C/c1ccc(C(F)(F)F)cc1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000004779005 845065849 /nfs/dbraw/zinc/06/58/49/845065849.db2.gz NRVOAFSXOUSRNI-JATZPVMKSA-N 0 0 408.332 4.197 50 5 HIBARN Cc1c(NC(=O)COC(=O)/C=C\c2ccc(C(F)(F)F)cc2)cccc1[N+](=O)[O-] ZINC000035681546 848145640 /nfs/dbraw/zinc/14/56/40/848145640.db2.gz BAEROGYHORTSES-YFHOEESVSA-N 0 0 408.332 4.117 50 5 HIBARN COc1ccc2nc(NC(=O)/C=C\c3cc([N+](=O)[O-])ccc3OC(F)F)sc2c1 ZINC000097994704 852648008 /nfs/dbraw/zinc/64/80/08/852648008.db2.gz CZFMUGFQFMWSGC-UQCOIBPSSA-N 0 0 421.381 4.466 50 5 HIBARN O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000001149337 132239167 /nfs/dbraw/zinc/23/91/67/132239167.db2.gz QYYPAJDQHDIZBQ-UHFFFAOYSA-N 0 0 413.783 4.229 50 5 HIBARN C[C@@]12C[C@@H](NC(=O)N1c1cccc(Br)c1)c1cc([N+](=O)[O-])ccc1O2 ZINC000002498628 132255285 /nfs/dbraw/zinc/25/52/85/132255285.db2.gz RNWBZSJFQLJKPG-RHSMWYFYSA-N 0 0 404.220 4.127 50 5 HIBARN CC(=O)N1CCN(c2ccc(Oc3ccc([N+](=O)[O-])c(C(F)(F)F)c3)cc2)CC1 ZINC000003422498 132266090 /nfs/dbraw/zinc/26/60/90/132266090.db2.gz LXSKJZACELIGDN-UHFFFAOYSA-N 0 0 409.364 4.074 50 5 HIBARN Cc1cc(N2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)c(F)cc1[N+](=O)[O-] ZINC000004543931 132278366 /nfs/dbraw/zinc/27/83/66/132278366.db2.gz YFLLNBONHRBUKL-UHFFFAOYSA-N 0 0 412.248 4.312 50 5 HIBARN Nc1nc(Nc2cccc(F)c2)nc(N2CCC(Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000009360580 132339036 /nfs/dbraw/zinc/33/90/36/132339036.db2.gz GZRCIOXOBQGFEX-UHFFFAOYSA-N 0 0 422.464 4.309 50 5 HIBARN CC(=O)Nc1ccc(C2=N/C(=C/c3cc([N+](=O)[O-])c(Cl)cc3Cl)C(=O)O2)cc1 ZINC000032099367 519714251 /nfs/dbraw/zinc/71/42/51/519714251.db2.gz DLOMFSNHBXLIRH-GIDUJCDVSA-N 0 0 420.208 4.205 50 5 HIBARN COc1ccc(-c2csc3ncnc(NC[C@H](O)c4ccc([N+](=O)[O-])cc4)c23)cc1 ZINC000012615450 523172374 /nfs/dbraw/zinc/17/23/74/523172374.db2.gz CLEBZVVAVJWGFX-SFHVURJKSA-N 0 0 422.466 4.421 50 5 HIBARN CCc1ccc(NC(=O)c2nc(NCc3ccco3)ncc2Cl)cc1[N+](=O)[O-] ZINC000032915848 523993365 /nfs/dbraw/zinc/99/33/65/523993365.db2.gz FHFYLDSQKXAAJE-UHFFFAOYSA-N 0 0 401.810 4.058 50 5 HIBARN COc1ccc2oc(-c3cccc(NC(=O)COc4ccccc4[N+](=O)[O-])c3)nc2c1 ZINC000020103032 525683656 /nfs/dbraw/zinc/68/36/56/525683656.db2.gz OAHQBEXNDLSQNL-UHFFFAOYSA-N 0 0 419.393 4.429 50 5 HIBARN O=C(Cn1c2ccccc2c(=O)c2ccccc21)N[C@@H](c1ccccc1)c1ccccn1 ZINC000032888322 527358983 /nfs/dbraw/zinc/35/89/83/527358983.db2.gz ZWHHVXWJOZSBIG-SANMLTNESA-N 0 0 419.484 4.456 50 5 HIBARN Cc1cc(C)n(-c2nn3c(=O)c4c5c(sc4nc3c3ccccc32)C[C@H](C)CC5)n1 ZINC000000628578 557024358 /nfs/dbraw/zinc/02/43/58/557024358.db2.gz JEZDGBMGEVNOCH-GFCCVEGCSA-N 0 0 415.522 4.385 50 5 HIBARN Cc1ccc(CSc2nc3c(c(=O)n2-c2ccc([N+](=O)[O-])cc2)SCC3)cc1 ZINC000002720091 557746771 /nfs/dbraw/zinc/74/67/71/557746771.db2.gz XFIMUYAKUQIKDD-UHFFFAOYSA-N 0 0 411.508 4.390 50 5 HIBARN Cc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2c4ccccc4C3c3ccccc32)c([N+](=O)[O-])c1 ZINC000004321707 557843541 /nfs/dbraw/zinc/84/35/41/557843541.db2.gz VFMSUVVCNSNFHQ-BWWMBTDCSA-N 0 0 410.429 4.300 50 5 HIBARN Cc1ccc2c(c1)c(=O)c1ccccc1n2CC(=O)Nc1ccc(Br)cn1 ZINC000009861300 557850425 /nfs/dbraw/zinc/85/04/25/557850425.db2.gz OQQVJQGMRMMHRI-UHFFFAOYSA-N 0 0 422.282 4.259 50 5 HIBARN CC[C@H]1CCc2c(sc(NC(=O)c3ccc(Cl)cc3[N+](=O)[O-])c2C(N)=O)C1 ZINC000006122375 558491959 /nfs/dbraw/zinc/49/19/59/558491959.db2.gz QHNDXGCNLJYVPM-VIFPVBQESA-N 0 0 407.879 4.176 50 5 HIBARN CS(=O)(=O)c1ccc(N(CCc2ccc(Cl)cc2)CC2CC2)cc1[N+](=O)[O-] ZINC000072286887 558717811 /nfs/dbraw/zinc/71/78/11/558717811.db2.gz DEYYCRKXAWHJFX-UHFFFAOYSA-N 0 0 408.907 4.111 50 5 HIBARN CCN(CC1CCN(c2ccccn2)CC1)C(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC000072303659 558756425 /nfs/dbraw/zinc/75/64/25/558756425.db2.gz QULKRXQKTMNLKP-UHFFFAOYSA-N 0 0 414.531 4.090 50 5 HIBARN O=C(NCc1nnc(-c2ccc(Cl)cc2)o1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000072306028 558762733 /nfs/dbraw/zinc/76/27/33/558762733.db2.gz JONDEHXGQFRZGS-UHFFFAOYSA-N 0 0 408.201 4.273 50 5 HIBARN O=C(N/C(=C\c1ccc(Cl)cc1)C(=O)N1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000013562211 558843942 /nfs/dbraw/zinc/84/39/42/558843942.db2.gz ABWJQWLIMVYOHK-RGEXLXHISA-N 0 0 413.861 4.032 50 5 HIBARN O=C(Oc1ccc(/C=C2\N=C(c3ccccc3)OC2=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000013615336 558847601 /nfs/dbraw/zinc/84/76/01/558847601.db2.gz LMHIEKWFWYWMKT-MOSHPQCFSA-N 0 0 414.373 4.159 50 5 HIBARN Cc1onc(C(=O)Nc2nc(C(C)(C)C)cs2)c1COc1ccc([N+](=O)[O-])cc1 ZINC000013641701 558849104 /nfs/dbraw/zinc/84/91/04/558849104.db2.gz CBRAVZFFLXBXOQ-UHFFFAOYSA-N 0 0 416.459 4.477 50 5 HIBARN CCOC(=O)C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccc(OCC)cc1 ZINC000004653347 558869597 /nfs/dbraw/zinc/86/95/97/558869597.db2.gz GKZJJVYCKCEDCT-SFHVURJKSA-N 0 0 420.849 4.071 50 5 HIBARN O=C(Nc1ccc(Cl)cc1Cl)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000033094174 558872431 /nfs/dbraw/zinc/87/24/31/558872431.db2.gz ZLNOUAGTTDVBQF-INIZCTEOSA-N 0 0 408.241 4.145 50 5 HIBARN CCCC(=O)OCCNc1cc(Sc2ccc(C)cc2)c2nonc2c1[N+](=O)[O-] ZINC000004677048 558889345 /nfs/dbraw/zinc/88/93/45/558889345.db2.gz FPHZTLGQBLMAKI-UHFFFAOYSA-N 0 0 416.459 4.346 50 5 HIBARN Cc1ccc(CNc2ccc(N3C(=O)[C@@H]4CC[C@H](C)C[C@@H]4C3=O)cc2[N+](=O)[O-])cc1 ZINC000004684123 558895144 /nfs/dbraw/zinc/89/51/44/558895144.db2.gz SRLLGFJQRKFCTE-IPELMVKDSA-N 0 0 407.470 4.441 50 5 HIBARN O=C(Nc1cccc([N+](=O)[O-])c1)[C@H]1CC(=O)N(c2ccc(Oc3ccccc3)cc2)C1 ZINC000004703072 558906619 /nfs/dbraw/zinc/90/66/19/558906619.db2.gz FMAWNBLGQZPPNO-INIZCTEOSA-N 0 0 417.421 4.379 50 5 HIBARN O=C1S/C(=C/c2cc3c(cc2Cl)OCO3)C(=O)N1Cc1cccc([N+](=O)[O-])c1 ZINC000013940650 558985009 /nfs/dbraw/zinc/98/50/09/558985009.db2.gz FYRINRZUCIPVDP-OMCISZLKSA-N 0 0 418.814 4.213 50 5 HIBARN COc1cc([N+](=O)[O-])ccc1NC(=O)COc1c(C)cc(C)cc1Br ZINC000004776840 559056741 /nfs/dbraw/zinc/05/67/41/559056741.db2.gz KJQLVCWBFIGOJI-UHFFFAOYSA-N 0 0 409.236 4.000 50 5 HIBARN CCOc1ccc(C(=O)N(Cc2ccc3c(c2)OCO3)C2CCCC2)cc1[N+](=O)[O-] ZINC000023230228 559063577 /nfs/dbraw/zinc/06/35/77/559063577.db2.gz KSEQGHZYTJWXOP-UHFFFAOYSA-N 0 0 412.442 4.307 50 5 HIBARN O=C(Oc1ccc(/C=C2/N=C(c3ccccc3)OC2=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000033342626 559064851 /nfs/dbraw/zinc/06/48/51/559064851.db2.gz LMHIEKWFWYWMKT-DEDYPNTBSA-N 0 0 414.373 4.159 50 5 HIBARN COc1ccc(-c2nc3cc(C)ccn3c2NC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000004790993 559065586 /nfs/dbraw/zinc/06/55/86/559065586.db2.gz DJSOSGBALDSDRG-UHFFFAOYSA-N 0 0 402.410 4.479 50 5 HIBARN O=c1c2ccccc2nc(/C=C\c2ccc([N+](=O)[O-])cc2)n1-c1ccc([N+](=O)[O-])cc1 ZINC000033391509 559158068 /nfs/dbraw/zinc/15/80/68/559158068.db2.gz XIAOWSGJPRXENW-AUWJEWJLSA-N 0 0 414.377 4.373 50 5 HIBARN COc1ccc(OC)c(Nc2nc(N)c([N+](=O)[O-])c(Nc3ccc(C)c(C)c3)n2)c1 ZINC000005033628 559231784 /nfs/dbraw/zinc/23/17/84/559231784.db2.gz ZKLWTNAVNNHTDU-UHFFFAOYSA-N 0 0 410.434 4.088 50 5 HIBARN CCOc1ccc(Nc2nc(NCc3ccc(Cl)cc3)nc(N)c2[N+](=O)[O-])cc1 ZINC000005048039 559236961 /nfs/dbraw/zinc/23/69/61/559236961.db2.gz FFEKFBKMBJOTPK-UHFFFAOYSA-N 0 0 414.853 4.375 50 5 HIBARN Cc1ccc(S(=O)(=O)Nc2ccc(Br)c(Cl)c2)cc1[N+](=O)[O-] ZINC000005060235 559237445 /nfs/dbraw/zinc/23/74/45/559237445.db2.gz IMXVIVHCCLZQQS-UHFFFAOYSA-N 0 0 405.657 4.120 50 5 HIBARN COc1ccc(C(C)(C)C)cc1NC(=O)/C=C/c1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000024274192 559281844 /nfs/dbraw/zinc/28/18/44/559281844.db2.gz WDHOHJWTGZRYAM-VMPITWQZSA-N 0 0 412.442 4.419 50 5 HIBARN Cc1cccc(N2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2ccc([N+](=O)[O-])cc2)n1 ZINC000005180068 559289347 /nfs/dbraw/zinc/28/93/47/559289347.db2.gz VFYQPGGSCQAGHH-HXUWFJFHSA-N 0 0 413.389 4.154 50 5 HIBARN COc1ccccc1-n1c2ccc([N+](=O)[O-])cc2nc1SCC(=O)c1ccc[nH]1 ZINC000005355377 560569406 /nfs/dbraw/zinc/56/94/06/560569406.db2.gz KGWRESHIUYPWNV-UHFFFAOYSA-N 0 0 408.439 4.245 50 5 HIBARN O=c1c2sccc2nc(SCc2ccc([N+](=O)[O-])cc2)n1Cc1ccccn1 ZINC000017355387 560709701 /nfs/dbraw/zinc/70/97/01/560709701.db2.gz AJDJLUZZXZSLLM-UHFFFAOYSA-N 0 0 410.480 4.102 50 5 HIBARN COc1ccc([C@@H]2CCCCCN2C(=O)/C=C/c2cc3c(cc2[N+](=O)[O-])OCO3)cc1 ZINC000024393007 560773119 /nfs/dbraw/zinc/77/31/19/560773119.db2.gz MGDQOMQQACZJKD-BLRBJFNZSA-N 0 0 424.453 4.489 50 5 HIBARN O=C(NC[C@H](c1cccs1)N1CCc2ccccc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000022907797 568416093 /nfs/dbraw/zinc/41/60/93/568416093.db2.gz ZJFZQCNNUDERGU-HXUWFJFHSA-N 0 0 407.495 4.186 50 5 HIBARN O=C(NC[C@@H](c1cccs1)N1CCc2ccccc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000022907800 568416098 /nfs/dbraw/zinc/41/60/98/568416098.db2.gz ZJFZQCNNUDERGU-FQEVSTJZSA-N 0 0 407.495 4.186 50 5 HIBARN O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CCc2sccc2[C@H]1c1ccccc1 ZINC000048303006 568437926 /nfs/dbraw/zinc/43/79/26/568437926.db2.gz HZHFXAYZECTEDU-HXUWFJFHSA-N 0 0 404.451 4.321 50 5 HIBARN C[C@@H](NC(=O)CCCOc1ccccc1Br)c1cccc([N+](=O)[O-])c1 ZINC000048325655 568438728 /nfs/dbraw/zinc/43/87/28/568438728.db2.gz FXHYYLJSVNFOGQ-CYBMUJFWSA-N 0 0 407.264 4.394 50 5 HIBARN CC1=C(C(=O)OC2CCCCCCC2)[C@@H](c2ccc([N+](=O)[O-])cc2)NC(=O)N1C ZINC000000675208 568460717 /nfs/dbraw/zinc/46/07/17/568460717.db2.gz LPJAWBAZRGSRIJ-LJQANCHMSA-N 0 0 401.463 4.221 50 5 HIBARN CCOC(=O)c1c(-c2ccco2)csc1NC(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000000676357 568460776 /nfs/dbraw/zinc/46/07/76/568460776.db2.gz UBTMHUHQGPUAFM-UHFFFAOYSA-N 0 0 416.411 4.354 50 5 HIBARN CC(=O)c1ccc(N2C(=O)c3ccc(Oc4cccc([N+](=O)[O-])c4)cc3C2=O)cc1 ZINC000000711819 568464747 /nfs/dbraw/zinc/46/47/47/568464747.db2.gz KIXNVYBCSFRSCF-UHFFFAOYSA-N 0 0 402.362 4.390 50 5 HIBARN CCOC(=O)c1c(NC(=O)c2ccc(OCC)c([N+](=O)[O-])c2)sc2c1CCCC2 ZINC000000830089 568503265 /nfs/dbraw/zinc/50/32/65/568503265.db2.gz GKDZPTOSKXINSY-UHFFFAOYSA-N 0 0 418.471 4.363 50 5 HIBARN O=c1c2ccc[nH]c-2c(Nc2ccc([N+](=O)[O-])cc2Cl)n1Cc1cccs1 ZINC000020319826 568598642 /nfs/dbraw/zinc/59/86/42/568598642.db2.gz BSKZLSYVPFXOTC-KRWDZBQOSA-N 0 0 400.847 4.471 50 5 HIBARN CCNc1nc(SCc2ccc([N+](=O)[O-])cc2)nc2sc3c(c21)CCN(C)C3 ZINC000020432226 568606770 /nfs/dbraw/zinc/60/67/70/568606770.db2.gz IQFHJPOPKOEFMV-UHFFFAOYSA-N 0 0 415.544 4.312 50 5 HIBARN Cc1sc(CCNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])nc1-c1ccccc1 ZINC000095455284 568616944 /nfs/dbraw/zinc/61/69/44/568616944.db2.gz VAMWUNXHFXAFGZ-UHFFFAOYSA-N 0 0 423.541 4.146 50 5 HIBARN Cc1cccc2c1CN(C(=O)OC(C)(C)C)CCN2C(=O)c1cccc([N+](=O)[O-])c1 ZINC000095457768 568618682 /nfs/dbraw/zinc/61/86/82/568618682.db2.gz ZBDZYGUYZYFFNC-UHFFFAOYSA-N 0 0 411.458 4.301 50 5 HIBARN COc1ccc2c(c1)c(=O)c1ccccc1n2CC(=O)Nc1cc(Cl)ccc1OC ZINC000020663645 568639590 /nfs/dbraw/zinc/63/95/90/568639590.db2.gz MTKLCEINVRLOOF-UHFFFAOYSA-N 0 0 422.868 4.464 50 5 HIBARN CC(=O)N1N=C(c2ccccc2OCc2ccccc2)O[C@@H]1c1ccccc1[N+](=O)[O-] ZINC000021092069 568664328 /nfs/dbraw/zinc/66/43/28/568664328.db2.gz LKANFWYTUPYZQZ-HSZRJFAPSA-N 0 0 417.421 4.413 50 5 HIBARN COc1cc([N+](=O)[O-])ccc1NC(=O)CNc1ccc2nc(C(C)C)sc2c1 ZINC000095956010 568669218 /nfs/dbraw/zinc/66/92/18/568669218.db2.gz ZTYXURAEEPDDAQ-UHFFFAOYSA-N 0 0 400.460 4.387 50 5 HIBARN CN(Cc1ccc(-c2ccc(Cl)cc2)o1)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000021183916 568677567 /nfs/dbraw/zinc/67/75/67/568677567.db2.gz VLTMOXBMDGQIAO-UHFFFAOYSA-N 0 0 406.847 4.329 50 5 HIBARN CCOc1cc2c(cc1N[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)O[C@H](C)C2 ZINC000024986367 568694646 /nfs/dbraw/zinc/69/46/46/568694646.db2.gz NDPJBNNTMWQURY-VXGBXAGGSA-N 0 0 419.865 4.409 50 5 HIBARN CC[C@@H](C)N(CCc1nc(-c2cccc([N+](=O)[O-])c2)no1)C(=O)c1ccc(OC)cc1 ZINC000096276971 568715563 /nfs/dbraw/zinc/71/55/63/568715563.db2.gz 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O=C(C[C@@H]1Sc2ccc(C(F)(F)F)cc2NC1=O)Nc1cccc([N+](=O)[O-])c1 ZINC000000950771 568756808 /nfs/dbraw/zinc/75/68/08/568756808.db2.gz MCKCEQIYPOZIPS-AWEZNQCLSA-N 0 0 411.361 4.055 50 5 HIBARN CC(=O)Oc1ccccc1N1C(=O)c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2C1=O ZINC000000975843 568758951 /nfs/dbraw/zinc/75/89/51/568758951.db2.gz YYQKOHCEJLALAW-UHFFFAOYSA-N 0 0 418.361 4.113 50 5 HIBARN CC(=O)Nc1ccc(Nc2nc(Nc3ccc(N(C)C)cc3)nc(C)c2[N+](=O)[O-])cc1 ZINC000096582099 568762651 /nfs/dbraw/zinc/76/26/51/568762651.db2.gz YSZOLOHXJSUEEL-UHFFFAOYSA-N 0 0 421.461 4.205 50 5 HIBARN Cn1c(=N)n(CC(=O)c2ccc(Cl)c(Cl)c2)cc1-c1cccc([N+](=O)[O-])c1 ZINC000334157646 568763351 /nfs/dbraw/zinc/76/33/51/568763351.db2.gz XSJCUOLCEOBSJF-UHFFFAOYSA-N 0 0 405.241 4.071 50 5 HIBARN Cn1c(Sc2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])nnc1-c1ccncc1 ZINC000022060033 568764555 /nfs/dbraw/zinc/76/45/55/568764555.db2.gz LURDKGNGULDNQL-UHFFFAOYSA-N 0 0 417.450 4.168 50 5 HIBARN COc1ccc([C@@H]2SCCN2C(=O)c2ccc([N+](=O)[O-])cc2)cc1Br 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O=C(CSc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccc2c(c1)OCCO2 ZINC000002890906 568815086 /nfs/dbraw/zinc/81/50/86/568815086.db2.gz AJOKXUAYIMXTEJ-UHFFFAOYSA-N 0 0 414.464 4.465 50 5 HIBARN COc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(C)c([N+](=O)[O-])c4)cc3n2)cc1 ZINC000001173849 568818912 /nfs/dbraw/zinc/81/89/12/568818912.db2.gz NYKDTNNROSKAHB-UHFFFAOYSA-N 0 0 417.425 4.206 50 5 HIBARN CC1CCN(C(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000025596332 568823114 /nfs/dbraw/zinc/82/31/14/568823114.db2.gz WICGQNDOWCOKPH-UHFFFAOYSA-N 0 0 401.850 4.373 50 5 HIBARN O=C(c1cccc2ccccc21)N1CCN(c2nc3ccc([N+](=O)[O-])cc3s2)CC1 ZINC000001200149 568823218 /nfs/dbraw/zinc/82/32/18/568823218.db2.gz GSAFIWMOHIFDIS-UHFFFAOYSA-N 0 0 418.478 4.320 50 5 HIBARN CC[C@H]1CCc2c(sc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)c2C(N)=O)C1 ZINC000001217812 568824871 /nfs/dbraw/zinc/82/48/71/568824871.db2.gz SQOMLHSFWIRSKC-VIFPVBQESA-N 0 0 407.879 4.176 50 5 HIBARN Cc1c(C(=O)Nc2ccc(I)cc2Cl)cccc1[N+](=O)[O-] ZINC000001217731 568824893 /nfs/dbraw/zinc/82/48/93/568824893.db2.gz UPOGUOHBKQILSE-UHFFFAOYSA-N 0 0 416.602 4.414 50 5 HIBARN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)c1ccc(C(C)(C)C)cc1 ZINC000005858847 568826092 /nfs/dbraw/zinc/82/60/92/568826092.db2.gz VGSUTSODPDUTDP-CYBMUJFWSA-N 0 0 400.431 4.085 50 5 HIBARN COC(=O)C1=C(C)N(c2cccc([N+](=O)[O-])c2)C(=O)N(C)[C@H]1c1ccc(C)s1 ZINC000029623303 568827783 /nfs/dbraw/zinc/82/77/83/568827783.db2.gz LDAMKGBDYIRYFB-KRWDZBQOSA-N 0 0 401.444 4.025 50 5 HIBARN O=[N+]([O-])c1ccc(Oc2ccc(S(=O)(=O)Oc3ccc([N+](=O)[O-])cc3)cc2)cc1 ZINC000002952698 568828832 /nfs/dbraw/zinc/82/88/32/568828832.db2.gz WQYZGNFAHHHTIX-UHFFFAOYSA-N 0 0 416.367 4.063 50 5 HIBARN O=c1cc(CSc2nc3ccccc3c3nc4ccccc4n32)nc2ccccn12 ZINC000002959630 568830093 /nfs/dbraw/zinc/83/00/93/568830093.db2.gz YKKHHHVPZDMTJZ-UHFFFAOYSA-N 0 0 409.474 4.336 50 5 HIBARN O=C(COC(=O)CCSc1ccc(F)cc1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000005981365 568834273 /nfs/dbraw/zinc/83/42/73/568834273.db2.gz SFZYNMMOQANIAF-UHFFFAOYSA-N 0 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O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccccc1NCc1ccco1 ZINC000003301358 568876554 /nfs/dbraw/zinc/87/65/54/568876554.db2.gz HTXXVJLGNSMBDX-UHFFFAOYSA-N 0 0 410.382 4.023 50 5 HIBARN O=C(Nc1ccccc1I)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000001230458 568877206 /nfs/dbraw/zinc/87/72/06/568877206.db2.gz CHZXEFBHMGQDJC-UHFFFAOYSA-N 0 0 402.575 4.105 50 5 HIBARN COc1ccc(C(=O)N[C@@H](Nc2cccc([N+](=O)[O-])c2)C(Cl)(Cl)Cl)cc1 ZINC000001232861 568880718 /nfs/dbraw/zinc/88/07/18/568880718.db2.gz FZNZJMSQGWPGKO-OAHLLOKOSA-N 0 0 418.664 4.142 50 5 HIBARN O=C(COc1ccc(Oc2ccccc2)cc1)OCCOc1ccc([N+](=O)[O-])cc1 ZINC000004070107 568881987 /nfs/dbraw/zinc/88/19/87/568881987.db2.gz YMKNONACPLXAAR-UHFFFAOYSA-N 0 0 409.394 4.388 50 5 HIBARN CN(C)[C@H](CNC(=O)c1ccc(Sc2ccccc2)c([N+](=O)[O-])c1)c1ccco1 ZINC000003336406 568882843 /nfs/dbraw/zinc/88/28/43/568882843.db2.gz WKUPGJXYMSVFMK-GOSISDBHSA-N 0 0 411.483 4.372 50 5 HIBARN Cc1cc(C(=O)COC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c(C)n1CC(F)(F)F ZINC000003417762 568899246 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NC(=O)N1N=C2/C(=C/c3ccc([N+](=O)[O-])cc3)CCC[C@H]2[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000038203002 568978914 /nfs/dbraw/zinc/97/89/14/568978914.db2.gz WCYOCJHQNJEGLJ-HRQWZESXSA-N 0 0 421.413 4.178 50 5 HIBARN COc1ccc(N[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2)C(Cl)(Cl)Cl)cc1 ZINC000001452529 568986670 /nfs/dbraw/zinc/98/66/70/568986670.db2.gz KJGKZPUXKLQNPK-HNNXBMFYSA-N 0 0 418.664 4.142 50 5 HIBARN COc1ccc(-c2nc(COC(=O)c3ccc([N+](=O)[O-])s3)cs2)cc1OC ZINC000006054062 568988634 /nfs/dbraw/zinc/98/86/34/568988634.db2.gz OIIKNHAXBXOCNH-UHFFFAOYSA-N 0 0 406.441 4.154 50 5 HIBARN Cc1csc(Sc2ccc([N+](=O)[O-])cc2C(=O)N=c2[nH]c3ccccc3[nH]2)n1 ZINC000008345748 568994415 /nfs/dbraw/zinc/99/44/15/568994415.db2.gz DIWAQHFYBUBDOP-UHFFFAOYSA-N 0 0 411.468 4.061 50 5 HIBARN COc1ccccc1[C@@H](C)Nc1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000008401333 569000884 /nfs/dbraw/zinc/00/08/84/569000884.db2.gz ZIOHXYZPMAUYBQ-SNVBAGLBSA-N 0 0 404.366 4.070 50 5 HIBARN COc1cc(NC(=O)CSc2nc(C)c(C)n2CC(C)C)c(C)cc1[N+](=O)[O-] ZINC000008425105 569001984 /nfs/dbraw/zinc/00/19/84/569001984.db2.gz XDALMBCORGMQLT-UHFFFAOYSA-N 0 0 406.508 4.112 50 5 HIBARN O=C(c1coc2ccccc12)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000015799152 569009924 /nfs/dbraw/zinc/00/99/24/569009924.db2.gz PZCDFARTEJFGOA-UHFFFAOYSA-N 0 0 419.359 4.322 50 5 HIBARN Cc1nn(-c2ccccc2)c(C)c1NC(=O)CN(C)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000012857649 569011239 /nfs/dbraw/zinc/01/12/39/569011239.db2.gz PVMYDCRXIBUTCE-INIZCTEOSA-N 0 0 407.474 4.029 50 5 HIBARN Cc1nn(-c2nc3ccccc3s2)c2c1[C@@H](c1cccc([N+](=O)[O-])c1)CC(=O)N2 ZINC000015868198 569017057 /nfs/dbraw/zinc/01/70/57/569017057.db2.gz NXHOKYSZUNRPQH-CQSZACIVSA-N 0 0 405.439 4.173 50 5 HIBARN O=C(Cn1cc([N+](=O)[O-])cn1)Nc1nc(-c2ccccc2)c(-c2ccccc2)s1 ZINC000012918253 569022712 /nfs/dbraw/zinc/02/27/12/569022712.db2.gz BYNBYKYRVVYIPU-UHFFFAOYSA-N 0 0 405.439 4.221 50 5 HIBARN CCn1c(SCCC(=O)Nc2ccccc2[N+](=O)[O-])nnc1-c1cccs1 ZINC000026221194 569030605 /nfs/dbraw/zinc/03/06/05/569030605.db2.gz ZILZUZNDFPVLBF-UHFFFAOYSA-N 0 0 403.489 4.056 50 5 HIBARN CC(C)N(Cc1nnc(-c2ccc(Cl)cc2)o1)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000006335410 569044220 /nfs/dbraw/zinc/04/42/20/569044220.db2.gz QDLJGHPSUHOGIK-UHFFFAOYSA-N 0 0 400.822 4.349 50 5 HIBARN COc1cccc(-c2nc(C(=O)Nc3ccc(F)c([N+](=O)[O-])c3)cs2)c1OC ZINC000013015043 569050812 /nfs/dbraw/zinc/05/08/12/569050812.db2.gz ZOHNQOQLHBFDHV-UHFFFAOYSA-N 0 0 403.391 4.127 50 5 HIBARN Cc1cc(C(=O)OCC(=O)Nc2ccc(Oc3ccccc3)cc2)ccc1[N+](=O)[O-] ZINC000001962625 569059987 /nfs/dbraw/zinc/05/99/87/569059987.db2.gz IBCSSYHZCSIUCY-UHFFFAOYSA-N 0 0 406.394 4.491 50 5 HIBARN O=C(NC(=S)Nc1cc(C(F)(F)F)ccc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000006511816 569062225 /nfs/dbraw/zinc/06/22/25/569062225.db2.gz KWOJRTPZWQLUCJ-UHFFFAOYSA-N 0 0 403.769 4.394 50 5 HIBARN C[C@H](c1cccc([N+](=O)[O-])c1)N(C)CC(=O)NCCSc1ccc(Cl)cc1 ZINC000016695419 569070475 /nfs/dbraw/zinc/07/04/75/569070475.db2.gz 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HIBARN O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)C1(c2ccccc2F)CCCC1 ZINC000007562443 569250662 /nfs/dbraw/zinc/25/06/62/569250662.db2.gz BIRAXOQPXLBPRW-UHFFFAOYSA-N 0 0 401.390 4.156 50 5 HIBARN Cc1cc(NC(=O)/C=C\c2ccc3c(c2)OCO3)nc2c3ccccc3oc(=O)c12 ZINC000017014070 569271692 /nfs/dbraw/zinc/27/16/92/569271692.db2.gz DUJGSUUOEVWEPI-CLFYSBASSA-N 0 0 400.390 4.030 50 5 HIBARN CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1SCn1cc([N+](=O)[O-])cn1 ZINC000017090713 569273508 /nfs/dbraw/zinc/27/35/08/569273508.db2.gz SXXMALKPRPNIGQ-UHFFFAOYSA-N 0 0 416.507 4.029 50 5 HIBARN O=[N+]([O-])c1cccc(NC(=S)Nc2ncn(Cc3ccc(Cl)c(Cl)c3)n2)c1 ZINC000017093448 569273663 /nfs/dbraw/zinc/27/36/63/569273663.db2.gz YAOBDYICUDDGEM-UHFFFAOYSA-N 0 0 423.285 4.350 50 5 HIBARN CCCn1c(SCn2cc([N+](=O)[O-])cn2)nnc1-c1csc2c1CC[C@@H](C)C2 ZINC000017091502 569274618 /nfs/dbraw/zinc/27/46/18/569274618.db2.gz UQDGMTLRYKLSND-GFCCVEGCSA-N 0 0 418.548 4.396 50 5 HIBARN O=C(Nc1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 ZINC000002079854 569274853 /nfs/dbraw/zinc/27/48/53/569274853.db2.gz XLLSAFDUMYKCBU-UHFFFAOYSA-N 0 0 406.354 4.008 50 5 HIBARN CC(C)N(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000007595042 569287294 /nfs/dbraw/zinc/28/72/94/569287294.db2.gz FHBDFXDKSSTJJK-UHFFFAOYSA-N 0 0 400.822 4.349 50 5 HIBARN CCN(Cc1nc(-c2cccc(C)c2)no1)C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000007721350 569302640 /nfs/dbraw/zinc/30/26/40/569302640.db2.gz QQBYYDLQHRQWDK-UHFFFAOYSA-N 0 0 400.822 4.269 50 5 HIBARN COc1ccc2c(c1)c1nc3ccccc3nc1n2CCN1C(=O)c2ccccc2C1=O ZINC000002227389 569317135 /nfs/dbraw/zinc/31/71/35/569317135.db2.gz RADAOCFUELACFW-UHFFFAOYSA-N 0 0 422.444 4.043 50 5 HIBARN COc1ccc2c(c1)oc1nc(-c3cccs3)n(-c3ccccc3)c(=O)c1c2=O ZINC000002229848 569317546 /nfs/dbraw/zinc/31/75/46/569317546.db2.gz GVBKBNGZZOGLNB-UHFFFAOYSA-N 0 0 402.431 4.229 50 5 HIBARN COc1ccc(Cn2c3ncn(CC(C)C)c(=O)c3c3nc4ccccc4nc32)cc1 ZINC000002253832 569326109 /nfs/dbraw/zinc/32/61/09/569326109.db2.gz ILGTZFWDRDQYEA-UHFFFAOYSA-N 0 0 413.481 4.007 50 5 HIBARN O=C(Nc1ccc(-c2cn3ccccc3n2)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000002276176 569327848 /nfs/dbraw/zinc/32/78/48/569327848.db2.gz RCKDNXLXCQNAET-UHFFFAOYSA-N 0 0 403.354 4.070 50 5 HIBARN O=[N+]([O-])c1ccc2[nH]c(SCc3nc4ccccn4c3Br)nc2c1 ZINC000002288799 569364740 /nfs/dbraw/zinc/36/47/40/569364740.db2.gz DSVOURJDLFLDSP-UHFFFAOYSA-N 0 0 404.249 4.174 50 5 HIBARN Cc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)C2c4ccccc4C3c3ccccc32)c([N+](=O)[O-])c1 ZINC000018058372 569383541 /nfs/dbraw/zinc/38/35/41/569383541.db2.gz VFMSUVVCNSNFHQ-MYNGYRLFSA-N 0 0 410.429 4.300 50 5 HIBARN O=C(COc1ccccc1[N+](=O)[O-])N(Cc1ccco1)Cc1ccc(Cl)cc1 ZINC000008916239 569390940 /nfs/dbraw/zinc/39/09/40/569390940.db2.gz RXSREVPQWOKOQE-UHFFFAOYSA-N 0 0 400.818 4.449 50 5 HIBARN Cc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2(C)c4ccccc4C3c3ccccc32)c([N+](=O)[O-])c1 ZINC000008989966 569391054 /nfs/dbraw/zinc/39/10/54/569391054.db2.gz GJCUSBWLHABMDV-QQNJPBSNSA-N 0 0 424.456 4.474 50 5 HIBARN Cc1[nH]nc2c1[C@@H](c1ccc([N+](=O)[O-])cc1)N(c1ccc(Br)cc1)C2=O ZINC000009451720 569392857 /nfs/dbraw/zinc/39/28/57/569392857.db2.gz SZALEHCRHOBTDR-QGZVFWFLSA-N 0 0 413.231 4.139 50 5 HIBARN CC[C@@H](C)n1cnc2c(c3nc4ccccc4nc3n2Cc2ccccc2OC)c1=O ZINC000002408925 569396470 /nfs/dbraw/zinc/39/64/70/569396470.db2.gz AKHQSQBHCZIWSU-OAHLLOKOSA-N 0 0 413.481 4.322 50 5 HIBARN CC(C)OCCCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000002416606 569397469 /nfs/dbraw/zinc/39/74/69/569397469.db2.gz SGVNMGYDVBKOFM-FQEVSTJZSA-N 0 0 422.437 4.062 50 5 HIBARN O=C(c1ccccc1)N1C[C@@H](COc2ccccc2)O[C@H](c2ccc([N+](=O)[O-])cc2)O1 ZINC000012375884 569400479 /nfs/dbraw/zinc/40/04/79/569400479.db2.gz AVHIRECKXUEYLH-GMAHTHKFSA-N 0 0 420.421 4.145 50 5 HIBARN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCC[C@@H]2c2nc3ccccc3s2)c1C ZINC000012994648 569406094 /nfs/dbraw/zinc/40/60/94/569406094.db2.gz LTBDVBWVZZUSIQ-MRXNPFEDSA-N 0 0 417.512 4.347 50 5 HIBARN Cc1ccc(C(=O)O[C@@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)s1 ZINC000013028871 569407496 /nfs/dbraw/zinc/40/74/96/569407496.db2.gz YGHQKRJKKVBODR-NSHDSACASA-N 0 0 417.468 4.272 50 5 HIBARN CN(Cc1ccccc1)[C@@H](NC(=O)c1ccccc1[N+](=O)[O-])C(Cl)(Cl)Cl ZINC000019316157 569415789 /nfs/dbraw/zinc/41/57/89/569415789.db2.gz OCDLRDGJEPIQQN-MRXNPFEDSA-N 0 0 416.692 4.153 50 5 HIBARN COc1ccc(-c2c3oc4cc(O)ccc4c3nc3c2c(=O)[nH]n3C(C)C)cc1O ZINC000079193582 569429480 /nfs/dbraw/zinc/42/94/80/569429480.db2.gz ZYFASLVPVOGUML-UHFFFAOYSA-N 0 0 405.410 4.292 50 5 HIBARN O=[N+]([O-])c1cccc(-c2nc3nc4ccccc4nc3n2-c2ccc3c(c2)OCO3)c1 ZINC000008743857 571110589 /nfs/dbraw/zinc/11/05/89/571110589.db2.gz XYURGOFUVROFOT-UHFFFAOYSA-N 0 0 411.377 4.273 50 5 HIBARN O=C(Nc1cccc([N+](=O)[O-])c1)[C@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl ZINC000040073740 571153907 /nfs/dbraw/zinc/15/39/07/571153907.db2.gz YBLNJUCBHFCLJY-MRXNPFEDSA-N 0 0 408.241 4.145 50 5 HIBARN COc1ccc([N+](=O)[O-])cc1NC(=O)Cc1c(C)nn(-c2ccc(Cl)cc2)c1C ZINC000040130846 571182893 /nfs/dbraw/zinc/18/28/93/571182893.db2.gz JEPQJNXPQYBMSX-UHFFFAOYSA-N 0 0 414.849 4.241 50 5 HIBARN Cc1ccsc1C(=O)O[C@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000009166306 571232752 /nfs/dbraw/zinc/23/27/52/571232752.db2.gz NOYXLNQJWVGUOF-LLVKDONJSA-N 0 0 417.468 4.272 50 5 HIBARN O=[N+]([O-])c1cc(-c2nc3nc4ccccc4nc3n2Cc2ccco2)cc([N+](=O)[O-])c1 ZINC000009244104 571241031 /nfs/dbraw/zinc/24/10/31/571241031.db2.gz UCNWFBXMJAZGNM-UHFFFAOYSA-N 0 0 416.353 4.104 50 5 HIBARN C[C@H]1CCc2sc3c(c2C1)c1ncnn1c1nnc(SCCc2ccccc2)n31 ZINC000009346445 571250274 /nfs/dbraw/zinc/25/02/74/571250274.db2.gz SWRCUPWRLOTQGA-ZDUSSCGKSA-N 0 0 420.567 4.446 50 5 HIBARN CCCc1cc(=O)oc2cc(OS(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)ccc12 ZINC000009395622 571254605 /nfs/dbraw/zinc/25/46/05/571254605.db2.gz JGXSVCDSWZDQMT-UHFFFAOYSA-N 0 0 423.830 4.075 50 5 HIBARN Cc1cc(I)ccc1Nc1c2ccccc2oc(=O)c1[N+](=O)[O-] ZINC000009427864 571257982 /nfs/dbraw/zinc/25/79/82/571257982.db2.gz NOJSSGJWWSBZEO-UHFFFAOYSA-N 0 0 422.178 4.358 50 5 HIBARN CCn1nc(C)c([C@@H]2CC(c3cccc(O)c3)=NN2c2ccc([N+](=O)[O-])cc2)c1C ZINC000071785129 571300834 /nfs/dbraw/zinc/30/08/34/571300834.db2.gz YGGKRFWTAWVTHV-NRFANRHFSA-N 0 0 405.458 4.489 50 5 HIBARN O=C(/C=C/c1cccc([N+](=O)[O-])c1)NC(=S)Nc1nc(-c2ccccc2)cs1 ZINC000002856600 571305806 /nfs/dbraw/zinc/30/58/06/571305806.db2.gz IJBLHSOZQPLWLM-MDZDMXLPSA-N 0 0 410.480 4.245 50 5 HIBARN O=C(/C=C\c1ccc(Cl)c([N+](=O)[O-])c1)N1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000096926753 852559187 /nfs/dbraw/zinc/55/91/87/852559187.db2.gz CASJCGARNGLWHU-HGPCXVNDSA-N 0 0 413.861 4.139 50 5 HIBARN O=C(CCSc1ccc(Cl)cc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000004749694 132287413 /nfs/dbraw/zinc/28/74/13/132287413.db2.gz JBKTVZGJZSLPGS-UHFFFAOYSA-N 0 0 405.907 4.079 50 5 HIBARN O=C(Nc1ccc2c(c1)Cc1ccccc1-2)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000005069206 132300269 /nfs/dbraw/zinc/30/02/69/132300269.db2.gz UJTUWXJMCJTPOC-UHFFFAOYSA-N 0 0 415.449 4.255 50 5 HIBARN Cc1nn(CC(=O)N2c3ccccc3SC[C@@H]2c2ccccc2)c(C)c1[N+](=O)[O-] ZINC000007088809 132322495 /nfs/dbraw/zinc/32/24/95/132322495.db2.gz ADYSXQIPGNNBGY-GOSISDBHSA-N 0 0 408.483 4.288 50 5 HIBARN Cc1csc(NC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)n1 ZINC000010554434 132346193 /nfs/dbraw/zinc/34/61/93/132346193.db2.gz FZWNBDUMGYGQCC-UHFFFAOYSA-N 0 0 414.409 4.234 50 5 HIBARN CC1CCN(c2ccc(C(=O)Nc3ccccc3N3CCCC3=O)cc2[N+](=O)[O-])CC1 ZINC000015614696 132461733 /nfs/dbraw/zinc/46/17/33/132461733.db2.gz GESDFKHDFSVTBG-UHFFFAOYSA-N 0 0 422.485 4.210 50 5 HIBARN CCOc1cc([N+](=O)[O-])c(C(=O)NCc2ccc(-c3ccc(F)cc3)o2)cc1OC ZINC000032753588 520787898 /nfs/dbraw/zinc/78/78/98/520787898.db2.gz HLHHKBQDWYYAPB-UHFFFAOYSA-N 0 0 414.389 4.331 50 5 HIBARN COc1cc([N+](=O)[O-])ccc1-c1ccc(C(=O)Nc2ccc(Br)cn2)o1 ZINC000000677965 522973788 /nfs/dbraw/zinc/97/37/88/522973788.db2.gz BQLNMXOYAXRECI-UHFFFAOYSA-N 0 0 418.203 4.273 50 5 HIBARN Cc1ccccc1-n1c(-c2cccc([N+](=O)[O-])c2)cnc1SCC(=O)NC(C)C ZINC000044086883 525024960 /nfs/dbraw/zinc/02/49/60/525024960.db2.gz AYZWMWDLCRTXTC-UHFFFAOYSA-N 0 0 410.499 4.373 50 5 HIBARN C[C@H](c1ccccc1)N1C(=O)[C@@H]2[C@H](C1=O)C1([N+](=O)[O-])c3ccccc3C2c2ccccc21 ZINC000244708348 526096853 /nfs/dbraw/zinc/09/68/53/526096853.db2.gz KSAGMQGUJRTNNG-LUHAHOJSSA-N 0 0 424.456 4.028 50 5 HIBARN O=C(c1ccc2c(c1)OCCO2)C1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000032888412 526726334 /nfs/dbraw/zinc/72/63/34/526726334.db2.gz LWNGCODGHBEKFX-UHFFFAOYSA-N 0 0 402.834 4.119 50 5 HIBARN O=C(Cn1c2ccccc2c(=O)c2ccccc21)N[C@H](c1ccccc1)c1ccccn1 ZINC000032888323 527358879 /nfs/dbraw/zinc/35/88/79/527358879.db2.gz ZWHHVXWJOZSBIG-AREMUKBSSA-N 0 0 419.484 4.456 50 5 HIBARN O=[N+]([O-])c1ccc2nc(N3CCN(Cc4c(F)cccc4Cl)CC3)ccc2c1 ZINC000032916274 527380126 /nfs/dbraw/zinc/38/01/26/527380126.db2.gz JTMCNDWBCULGQI-UHFFFAOYSA-N 0 0 400.841 4.258 50 5 HIBARN O=C(Nc1ccccc1)[C@@H]1CCCN(c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000032853573 527396999 /nfs/dbraw/zinc/39/69/99/527396999.db2.gz YBLBHSDHIRZVTI-CYBMUJFWSA-N 0 0 404.264 4.212 50 5 HIBARN CC(C)=C[C@H]1[C@@H](C(=O)N2CCN(c3ccc([N+](=O)[O-])c4cnccc43)CC2)C1(C)C ZINC000012558123 535371932 /nfs/dbraw/zinc/37/19/32/535371932.db2.gz LHZAUAYQSLJURN-RXVVDRJESA-N 0 0 408.502 4.030 50 5 HIBARN C[C@@H]1CCc2c(sc3nc4c5ccccc5c(NC[C@@H]5CCCO5)nn4c(=O)c23)C1 ZINC000000632165 557027203 /nfs/dbraw/zinc/02/72/03/557027203.db2.gz CXGZYKSYHLXTMN-KGLIPLIRSA-N 0 0 420.538 4.173 50 5 HIBARN COCCn1c(=O)c2c(=O)c3ccccc3oc2nc1-c1ccc(Cl)cc1Cl ZINC000002354816 557697603 /nfs/dbraw/zinc/69/76/03/557697603.db2.gz YVPUYXFXKOYVFU-UHFFFAOYSA-N 0 0 417.248 4.123 50 5 HIBARN COc1ccc(N(Cc2ccccc2)S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])cc1 ZINC000059826993 558558701 /nfs/dbraw/zinc/55/87/01/558558701.db2.gz QSSIYMFWJGRABM-UHFFFAOYSA-N 0 0 412.467 4.307 50 5 HIBARN Cc1cc(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)n(Cc2ccccc2)n1 ZINC000024833397 558615473 /nfs/dbraw/zinc/61/54/73/558615473.db2.gz RVUODJZEAKFAIH-UHFFFAOYSA-N 0 0 422.488 4.347 50 5 HIBARN CNc1ccc(C(=O)c2ccccc2C(=O)OCc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000004500640 558618940 /nfs/dbraw/zinc/61/89/40/558618940.db2.gz MFLTWBDIAALKJQ-UHFFFAOYSA-N 0 0 408.385 4.364 50 5 HIBARN Cn1c2ccccc2nc1-c1cccc(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)c1 ZINC000072273172 558693321 /nfs/dbraw/zinc/69/33/21/558693321.db2.gz DRIFIIWGWCEHBE-UHFFFAOYSA-N 0 0 412.409 4.277 50 5 HIBARN Cc1cc(-n2c(C)nc3ccccc3c2=O)ccc1NC(=O)c1ccccc1[N+](=O)[O-] ZINC000004585410 558776141 /nfs/dbraw/zinc/77/61/41/558776141.db2.gz DRGMCXQSLNZYQP-UHFFFAOYSA-N 0 0 414.421 4.163 50 5 HIBARN CCCCN1C(=O)[C@H]2Cc3c4ccccc4[nH]c3[C@@H](c3cccc([N+](=O)[O-])c3)N2C1=O ZINC000022204875 558779119 /nfs/dbraw/zinc/77/91/19/558779119.db2.gz UQRIICVNLMEYOM-TZIWHRDSSA-N 0 0 418.453 4.155 50 5 HIBARN C[C@@H](c1nc2ccccc2s1)N(C)C(=O)/C=C\c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000096879350 558862748 /nfs/dbraw/zinc/86/27/48/558862748.db2.gz MGEDIDDAAGIYJJ-KRZKBDHCSA-N 0 0 411.439 4.166 50 5 HIBARN CCOC(=O)C[C@@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1Cl ZINC000004653475 558869194 /nfs/dbraw/zinc/86/91/94/558869194.db2.gz SVOFTTYNFKKIHB-OAHLLOKOSA-N 0 0 411.241 4.326 50 5 HIBARN O=C1C[C@@H](c2ccccc2C(F)(F)F)c2c(n[nH]c2-c2cccc([N+](=O)[O-])c2)O1 ZINC000004626312 558890738 /nfs/dbraw/zinc/89/07/38/558890738.db2.gz ZGGQKNAEIGWHBS-ZDUSSCGKSA-N 0 0 403.316 4.445 50 5 HIBARN O=C(NCCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000004688217 558898848 /nfs/dbraw/zinc/89/88/48/558898848.db2.gz LDRQVTGJDLQXOC-UHFFFAOYSA-N 0 0 401.772 4.499 50 5 HIBARN CC(C)(C)CNc1cc(N2CCN(C(=O)c3ccccc3F)CC2)ccc1[N+](=O)[O-] ZINC000004740889 559045192 /nfs/dbraw/zinc/04/51/92/559045192.db2.gz JRWQMLLPUKSQJK-UHFFFAOYSA-N 0 0 414.481 4.154 50 5 HIBARN Cc1cc(C)n(CCc2nc3c4sc5nc(C(F)F)cc(C)c5c4ncn3n2)n1 ZINC000033327020 559059698 /nfs/dbraw/zinc/05/96/98/559059698.db2.gz SROHLWSYTDAPIR-UHFFFAOYSA-N 0 0 413.457 4.189 50 5 HIBARN CC(C)OC(=O)c1c(NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)sc2c1CCC2 ZINC000033333535 559063308 /nfs/dbraw/zinc/06/33/08/559063308.db2.gz YCSYKAXXIALNOM-FLIBITNWSA-N 0 0 400.456 4.362 50 5 HIBARN O=C(c1cccc([N+](=O)[O-])c1)n1nc(-c2ccccc2)nc1NCc1cccs1 ZINC000004829065 559147609 /nfs/dbraw/zinc/14/76/09/559147609.db2.gz CLXQYAOEAXECTF-UHFFFAOYSA-N 0 0 405.439 4.215 50 5 HIBARN COc1ccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)o2)c([N+](=O)[O-])c1 ZINC000014137190 559153096 /nfs/dbraw/zinc/15/30/96/559153096.db2.gz WANUOHHVEWDOHH-UHFFFAOYSA-N 0 0 420.834 4.038 50 5 HIBARN Cc1sc(C(=O)Nc2ccccc2)c2c1C(=O)N[C@@H](c1ccc([N+](=O)[O-])cc1)N2 ZINC000004837067 559166239 /nfs/dbraw/zinc/16/62/39/559166239.db2.gz ZOMSTGYTELOCGZ-SFHVURJKSA-N 0 0 408.439 4.071 50 5 HIBARN CC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccccc3[N+](=O)[O-])C(=O)[C@H]12 ZINC000004851728 559190938 /nfs/dbraw/zinc/19/09/38/559190938.db2.gz HTPGJUNMOFOBDJ-NFJKTXFASA-N 0 0 410.429 4.166 50 5 HIBARN CCC[C@H]1CCc2c(sc(NC(=O)/C=C\c3ccc([N+](=O)[O-])cc3)c2C(N)=O)C1 ZINC000033455784 559193959 /nfs/dbraw/zinc/19/39/59/559193959.db2.gz KBOGDXRUAUCMKZ-JOHMGYAOSA-N 0 0 413.499 4.312 50 5 HIBARN CC(C)N(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000004958715 559216390 /nfs/dbraw/zinc/21/63/90/559216390.db2.gz OXLNPMLDYGNTIE-UHFFFAOYSA-N 0 0 400.822 4.349 50 5 HIBARN COc1ccc2c(c1OC)C(=O)O[C@@H]2Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000004995934 559225922 /nfs/dbraw/zinc/22/59/22/559225922.db2.gz TVANVSVBTIVQQH-KRWDZBQOSA-N 0 0 413.411 4.017 50 5 HIBARN O=C1OC(c2ccccc2Br)=N/C1=C\c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000005058978 559237501 /nfs/dbraw/zinc/23/75/01/559237501.db2.gz XTWPNPNKGLUWNZ-QPEQYQDCSA-N 0 0 407.607 4.355 50 5 HIBARN Cc1cc(N2C(=O)c3oc4c5ccccc5ccc4c(=O)c3[C@H]2c2ccccn2)no1 ZINC000005206099 560539497 /nfs/dbraw/zinc/53/94/97/560539497.db2.gz XNVIXCOFPZHQBP-HXUWFJFHSA-N 0 0 409.401 4.387 50 5 HIBARN O=c1c2ccccc2nc(/C=C\c2cccc([N+](=O)[O-])c2)n1-c1ccc2c(c1)OCO2 ZINC000033930776 560544639 /nfs/dbraw/zinc/54/46/39/560544639.db2.gz OYROCFPKVLSZQC-FLIBITNWSA-N 0 0 413.389 4.193 50 5 HIBARN CC(=O)Oc1cn(CCc2ccc(F)cc2)c2nc(C)n3c4ccccc4nc3c12 ZINC000005236099 560548504 /nfs/dbraw/zinc/54/85/04/560548504.db2.gz OPFYQAJVADXAOD-UHFFFAOYSA-N 0 0 402.429 4.453 50 5 HIBARN Cc1cc(N(Cc2ccccc2)Cc2ccccc2)nc(-n2cc([N+](=O)[O-])cn2)n1 ZINC000005251755 560551458 /nfs/dbraw/zinc/55/14/58/560551458.db2.gz LHZDHHOZOSXLDR-UHFFFAOYSA-N 0 0 400.442 4.086 50 5 HIBARN C[C@H]1CCc2c(sc3c2c2ncnn2c2nnc(SCc4ccccc4)n32)C1 ZINC000005575584 560624386 /nfs/dbraw/zinc/62/43/86/560624386.db2.gz PFYZMEUAQDVAEA-LBPRGKRZSA-N 0 0 406.540 4.404 50 5 HIBARN C[C@@H]1CCc2c(sc3c2c2ncnn2c2nnc(SCc4ccccc4)n32)C1 ZINC000005575579 560624394 /nfs/dbraw/zinc/62/43/94/560624394.db2.gz PFYZMEUAQDVAEA-GFCCVEGCSA-N 0 0 406.540 4.404 50 5 HIBARN O=C(Cn1c(-c2ccccc2)cc2ccccc21)NC[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000048333882 568439520 /nfs/dbraw/zinc/43/95/20/568439520.db2.gz XQIAXNOGEJGLNW-HSZRJFAPSA-N 0 0 415.449 4.066 50 5 HIBARN Cc1oc(-c2ccccc2[N+](=O)[O-])cc1C(=O)N(C)Cc1cc(=O)[nH]c2ccccc12 ZINC000012274195 568457268 /nfs/dbraw/zinc/45/72/68/568457268.db2.gz NXHAARLQWWGVKL-UHFFFAOYSA-N 0 0 417.421 4.277 50 5 HIBARN Cc1ccccc1C(=O)N[C@@H](Oc1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)Cl ZINC000000808680 568487472 /nfs/dbraw/zinc/48/74/72/568487472.db2.gz ZPTFQKODWYJFJA-HNNXBMFYSA-N 0 0 403.649 4.408 50 5 HIBARN Cc1cccc(C)c1NC(=O)[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)c1ccccn1 ZINC000000822305 568498577 /nfs/dbraw/zinc/49/85/77/568498577.db2.gz YIDWEELVPJPTPC-NRFANRHFSA-N 0 0 418.453 4.059 50 5 HIBARN Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000000842050 568530033 /nfs/dbraw/zinc/53/00/33/568530033.db2.gz KZKCFVSLBYPNKW-BWWMBTDCSA-N 0 0 410.429 4.300 50 5 HIBARN O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000020362873 568600522 /nfs/dbraw/zinc/60/05/22/568600522.db2.gz DQUPPFWLFDYSLB-UHFFFAOYSA-N 0 0 409.273 4.251 50 5 HIBARN Cc1ccc(CNc2nc(-c3ccco3)nn2C(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000020894606 568648569 /nfs/dbraw/zinc/64/85/69/568648569.db2.gz BQRGFBJOTRRTGF-UHFFFAOYSA-N 0 0 403.398 4.055 50 5 HIBARN CC(=O)N1N=C(c2cccc([N+](=O)[O-])c2)O[C@@H]1c1cc2ccc(C)cc2nc1Cl ZINC000021091278 568664118 /nfs/dbraw/zinc/66/41/18/568664118.db2.gz KBTXOYVSRXNQGO-HXUWFJFHSA-N 0 0 410.817 4.344 50 5 HIBARN CCCNC(=O)Nc1cccc(OCc2ccc(Br)c([N+](=O)[O-])c2)c1 ZINC000225827762 568678564 /nfs/dbraw/zinc/67/85/64/568678564.db2.gz HNGAMESYZLHQKH-UHFFFAOYSA-N 0 0 408.252 4.468 50 5 HIBARN CCN(C(=O)COC(=O)/C=C/c1ccccc1[N+](=O)[O-])c1cccc2ccccc21 ZINC000005781876 568716796 /nfs/dbraw/zinc/71/67/96/568716796.db2.gz BPMKVWZEDPUCRQ-CCEZHUSRSA-N 0 0 404.422 4.358 50 5 HIBARN CC[C@@H](C)N(CCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C(=O)c1cccc(F)c1 ZINC000096288375 568719375 /nfs/dbraw/zinc/71/93/75/568719375.db2.gz JGNRBJRJFXBVGK-CQSZACIVSA-N 0 0 412.421 4.267 50 5 HIBARN Cc1cc(NC(=O)c2cccc([N+](=O)[O-])c2)n(-c2nc(-c3ccccc3)cs2)n1 ZINC000012441721 568724300 /nfs/dbraw/zinc/72/43/00/568724300.db2.gz WQAMGFABMBEPNY-UHFFFAOYSA-N 0 0 405.439 4.465 50 5 HIBARN C[C@H](OC(=O)c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1)C(=O)c1ccccc1 ZINC000000878803 568726275 /nfs/dbraw/zinc/72/62/75/568726275.db2.gz RSUJFVZQTYOESE-HNNXBMFYSA-N 0 0 418.405 4.275 50 5 HIBARN COc1ccc([N+](=O)[O-])cc1NC(=O)COc1c(C)cc(Br)cc1C ZINC000000955087 568756900 /nfs/dbraw/zinc/75/69/00/568756900.db2.gz XTJXAJBDMMLXRG-UHFFFAOYSA-N 0 0 409.236 4.000 50 5 HIBARN Cc1ccc(N2C(=O)c3ccc(C(=O)c4cccc([N+](=O)[O-])c4)cc3C2=O)cc1C ZINC000000975652 568758979 /nfs/dbraw/zinc/75/89/79/568758979.db2.gz KDYFVTOTMBWKRB-UHFFFAOYSA-N 0 0 400.390 4.243 50 5 HIBARN CCSc1nnc2c(n1)O[C@H](c1ccccc1[N+](=O)[O-])N(C(C)=O)c1ccccc1-2 ZINC000001006725 568761216 /nfs/dbraw/zinc/76/12/16/568761216.db2.gz WSYNCRRWXNSKSS-LJQANCHMSA-N 0 0 423.454 4.003 50 5 HIBARN O=C(Oc1ccccc1/C=C1/N=C(c2ccccc2)OC1=O)c1ccc([N+](=O)[O-])cc1 ZINC000001023144 568763350 /nfs/dbraw/zinc/76/33/50/568763350.db2.gz GBZKFHZMBCHOPK-XMHGGMMESA-N 0 0 414.373 4.159 50 5 HIBARN Cc1ccc(C(=O)c2cc3c(cc2NC(=O)c2ccc([N+](=O)[O-])cc2)OCCO3)cc1 ZINC000001076941 568765358 /nfs/dbraw/zinc/76/53/58/568765358.db2.gz OHSSACNKBKQROH-UHFFFAOYSA-N 0 0 418.405 4.158 50 5 HIBARN COc1ccc(C(=O)Nc2cc3nn(-c4ccccc4)nc3cc2Cl)cc1[N+](=O)[O-] ZINC000001128319 568771127 /nfs/dbraw/zinc/77/11/27/568771127.db2.gz XAVPCHYEAQABIK-UHFFFAOYSA-N 0 0 423.816 4.243 50 5 HIBARN CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)NC(=O)N1 ZINC000001156643 568774266 /nfs/dbraw/zinc/77/42/66/568774266.db2.gz WMCQPXWBLLSRSC-MRXNPFEDSA-N 0 0 421.240 4.168 50 5 HIBARN O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccccc1C(=O)NCc1ccccc1 ZINC000001157276 568774429 /nfs/dbraw/zinc/77/44/29/568774429.db2.gz HHMMNMIIFCNVEG-BUHFOSPRSA-N 0 0 401.422 4.177 50 5 HIBARN CCc1ccc(-n2nc3ccc(NC(=O)c4cccc([N+](=O)[O-])c4C)cc3n2)cc1 ZINC000001167355 568775424 /nfs/dbraw/zinc/77/54/24/568775424.db2.gz RLOIKFHXCPRGDP-UHFFFAOYSA-N 0 0 401.426 4.452 50 5 HIBARN O=[N+]([O-])c1ccc(N2CCOC[C@@H]2Cc2c[nH]c3ccccc23)cc1OC(F)F ZINC000225646019 568777980 /nfs/dbraw/zinc/77/79/80/568777980.db2.gz NBGXRCNCXFYHKH-HNNXBMFYSA-N 0 0 403.385 4.125 50 5 HIBARN Cc1ccc(C2(c3ccc(C)cc3)NC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc1 ZINC000002625960 568789212 /nfs/dbraw/zinc/78/92/12/568789212.db2.gz OSRFOWGGSIUDSX-UHFFFAOYSA-N 0 0 415.449 4.207 50 5 HIBARN O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)c1c2ccccc2nc2c1CCCC2 ZINC000002661208 568799115 /nfs/dbraw/zinc/79/91/15/568799115.db2.gz YRWQMPXWULPOKJ-UHFFFAOYSA-N 0 0 420.421 4.245 50 5 HIBARN Cc1ccc2c(c1)[C@@H](c1ccc(F)cc1)N(C(=O)c1ccccc1[N+](=O)[O-])CC(=O)N2 ZINC000002686455 568800637 /nfs/dbraw/zinc/80/06/37/568800637.db2.gz BEKWAEZWMVBSIP-JOCHJYFZSA-N 0 0 419.412 4.226 50 5 HIBARN CCC[C@@H]1CCc2c(sc(NC(=O)c3ccc([N+](=O)[O-])c(C)c3)c2C(N)=O)C1 ZINC000002739222 568804561 /nfs/dbraw/zinc/80/45/61/568804561.db2.gz ZBTWZDBHAUKTIF-GFCCVEGCSA-N 0 0 401.488 4.221 50 5 HIBARN O=C(CCc1ccc(Oc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1)NCc1ccco1 ZINC000002771217 568807811 /nfs/dbraw/zinc/80/78/11/568807811.db2.gz HSIFYKIPYVDRDE-UHFFFAOYSA-N 0 0 411.370 4.137 50 5 HIBARN O=C(Nc1ccc(Cl)cc1)/C(=C/c1cccc([N+](=O)[O-])c1)NC(=O)c1ccco1 ZINC000002840609 568812741 /nfs/dbraw/zinc/81/27/41/568812741.db2.gz LKHMVEHUSDLNSP-ATVHPVEESA-N 0 0 411.801 4.251 50 5 HIBARN CCOC(=O)CN1c2ccccc2C(C)(C)[C@@]12C=Cc1cc([N+](=O)[O-])cc(OC)c1O2 ZINC000002910747 568815890 /nfs/dbraw/zinc/81/58/90/568815890.db2.gz HKOGKXZXSOANBD-QHCPKHFHSA-N 0 0 424.453 4.066 50 5 HIBARN O=C(NC(=S)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1cccc(Br)c1 ZINC000001170286 568818645 /nfs/dbraw/zinc/81/86/45/568818645.db2.gz OTCSOKANNUJZSN-UHFFFAOYSA-N 0 0 414.668 4.138 50 5 HIBARN O=C(COc1cccc([N+](=O)[O-])c1)Nc1ccc(-c2nnc(-c3ccccc3)o2)cc1 ZINC000001178297 568819749 /nfs/dbraw/zinc/81/97/49/568819749.db2.gz BPQMVRZTECOQAP-UHFFFAOYSA-N 0 0 416.393 4.329 50 5 HIBARN COc1ccc(N2C(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3C2=O)cc1OC ZINC000002944694 568819795 /nfs/dbraw/zinc/81/97/95/568819795.db2.gz CIHCRPCAMHAIMF-UHFFFAOYSA-N 0 0 420.377 4.205 50 5 HIBARN O=C(NC(=S)Nc1cc([N+](=O)[O-])ccc1F)C(c1ccccc1)c1ccccc1 ZINC000001182727 568821708 /nfs/dbraw/zinc/82/17/08/568821708.db2.gz IDNMLNHWWQCPCH-UHFFFAOYSA-N 0 0 409.442 4.379 50 5 HIBARN NC(=O)c1c(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])sc2c1CCCCCC2 ZINC000001200818 568823214 /nfs/dbraw/zinc/82/32/14/568823214.db2.gz XAPDJTMAFKQQDW-UHFFFAOYSA-N 0 0 407.879 4.320 50 5 HIBARN O=C(OCc1coc(-c2cccs2)n1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000005968733 568833026 /nfs/dbraw/zinc/83/30/26/568833026.db2.gz NCMKPDDJGQJGAZ-UHFFFAOYSA-N 0 0 413.455 4.271 50 5 HIBARN Cc1ccc(C(=O)COC(=O)CCCC(=O)Nc2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000002985917 568833148 /nfs/dbraw/zinc/83/31/48/568833148.db2.gz UWKDHEUIELEQML-UHFFFAOYSA-N 0 0 418.833 4.092 50 5 HIBARN C[C@@H]1CCc2c(sc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)c2C(N)=O)C1 ZINC000003226566 568847524 /nfs/dbraw/zinc/84/75/24/568847524.db2.gz LYRXUNRCLPYMPT-SECBINFHSA-N 0 0 415.496 4.347 50 5 HIBARN O=C(N[C@H]1CCSc2c(F)cccc21)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000012548937 568852077 /nfs/dbraw/zinc/85/20/77/568852077.db2.gz ZHRZCGNJBUBSOB-INIZCTEOSA-N 0 0 401.463 4.301 50 5 HIBARN CC(C)NC(=O)/C(=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1)NC(=O)c1ccccc1 ZINC000003066808 568852626 /nfs/dbraw/zinc/85/26/26/568852626.db2.gz GRYSODCMWZFBKC-ZHZULCJRSA-N 0 0 419.437 4.150 50 5 HIBARN O=C(COC(=O)c1sc2cc(F)ccc2c1Cl)Nc1cccc([N+](=O)[O-])c1 ZINC000003253689 568868113 /nfs/dbraw/zinc/86/81/13/568868113.db2.gz MTAUSLHKXGERDK-UHFFFAOYSA-N 0 0 408.794 4.398 50 5 HIBARN Cc1nn(Cc2ccc([N+](=O)[O-])cc2)c(=O)n1-c1ccc(Oc2ccccc2)cc1 ZINC000004072964 568882443 /nfs/dbraw/zinc/88/24/43/568882443.db2.gz FVLIRQVXVBETBY-UHFFFAOYSA-N 0 0 402.410 4.091 50 5 HIBARN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc21 ZINC000003423373 568900161 /nfs/dbraw/zinc/90/01/61/568900161.db2.gz QOJOFWSFIMHABZ-UHFFFAOYSA-N 0 0 414.421 4.163 50 5 HIBARN Cc1csc(Sc2ccc(C(=O)Nc3ccc4c(c3)OCO4)cc2[N+](=O)[O-])n1 ZINC000003430794 568901808 /nfs/dbraw/zinc/90/18/08/568901808.db2.gz XKYMBUWSVSFLFP-UHFFFAOYSA-N 0 0 415.452 4.492 50 5 HIBARN C[C@H](OC(=O)CSCc1ccc(Cl)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000003432003 568902114 /nfs/dbraw/zinc/90/21/14/568902114.db2.gz AVRSZFCICBZRMJ-LBPRGKRZSA-N 0 0 408.863 4.052 50 5 HIBARN CCOc1ccc(Oc2ccc(NC(=O)Cn3nc(C)c([N+](=O)[O-])c3C)cc2)cc1 ZINC000003443306 568904134 /nfs/dbraw/zinc/90/41/34/568904134.db2.gz SWIHBGWDALDKPX-UHFFFAOYSA-N 0 0 410.430 4.238 50 5 HIBARN O=C1c2ccc(Oc3cccc([N+](=O)[O-])c3)cc2C(=O)N1c1ccc([N+](=O)[O-])cc1 ZINC000004017254 568933437 /nfs/dbraw/zinc/93/34/37/568933437.db2.gz RAIXDOJYLVMRHO-UHFFFAOYSA-N 0 0 405.322 4.096 50 5 HIBARN O=C(Nc1nnc(-c2ccc(Br)cc2)s1)c1ccccc1[N+](=O)[O-] ZINC000004070386 568937732 /nfs/dbraw/zinc/93/77/32/568937732.db2.gz JWCFDJQUVVUMAA-UHFFFAOYSA-N 0 0 405.233 4.128 50 5 HIBARN CCOc1cc(CN(C(=O)c2ccc([N+](=O)[O-])s2)C2CC2)ccc1OC(F)F ZINC000012751495 568940983 /nfs/dbraw/zinc/94/09/83/568940983.db2.gz MFCZUUPQAPDPTH-UHFFFAOYSA-N 0 0 412.414 4.461 50 5 HIBARN 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O=C(/C=C\c1cc([N+](=O)[O-])ccc1OC(F)F)Nc1cccc(OC(F)F)c1 ZINC000035151509 848142689 /nfs/dbraw/zinc/14/26/89/848142689.db2.gz IPUWDTBJFAFJIW-DAXSKMNVSA-N 0 0 400.284 4.450 50 5 HIBARN O=C(NCc1ccc(F)cc1)c1nnc(/C(Cl)=C\c2ccc([N+](=O)[O-])cc2)s1 ZINC000097003049 852573405 /nfs/dbraw/zinc/57/34/05/852573405.db2.gz VJYZWZOVCVZABP-OQLLNIDSSA-N 0 0 418.837 4.252 50 5 HIBARN O=[N+]([O-])c1c2nonc2c(N2CCOCC2)cc1Nc1cc(Cl)ccc1Cl ZINC000004658742 132280974 /nfs/dbraw/zinc/28/09/74/132280974.db2.gz HNYJOIKURITRGG-UHFFFAOYSA-N 0 0 410.217 4.018 50 5 HIBARN COc1cccc(NC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)c1 ZINC000012517403 132361439 /nfs/dbraw/zinc/36/14/39/132361439.db2.gz FSKQPOVSPMZTRM-UHFFFAOYSA-N 0 0 423.391 4.477 50 5 HIBARN CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@@H]1CCCN(c2nc3ccccc3s2)C1 ZINC000044490259 523391989 /nfs/dbraw/zinc/39/19/89/523391989.db2.gz NDCWDNLWHBQJLE-MRXNPFEDSA-N 0 0 410.499 4.080 50 5 HIBARN COc1ccc(C(=O)N[C@H](C)c2ccc(OCC(C)C)c(OC)c2)cc1[N+](=O)[O-] ZINC000032830921 523734696 /nfs/dbraw/zinc/73/46/96/523734696.db2.gz AXPATOPKPQFVNC-CQSZACIVSA-N 0 0 402.447 4.138 50 5 HIBARN C[C@H]1CN(c2ccc(C(=O)c3ccc(Br)cc3)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000016286172 524668760 /nfs/dbraw/zinc/66/87/60/524668760.db2.gz DQDFSZDUGJPFJC-STQMWFEESA-N 0 0 419.275 4.202 50 5 HIBARN Cc1cc(CSc2ccccc2C(=O)NCCNc2ccc([N+](=O)[O-])cc2)on1 ZINC000012586023 524818584 /nfs/dbraw/zinc/81/85/84/524818584.db2.gz ZUWQLVWGVBVLNP-UHFFFAOYSA-N 0 0 412.471 4.025 50 5 HIBARN O=[N+]([O-])c1ccc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)c2ccncc21 ZINC000007778243 527362162 /nfs/dbraw/zinc/36/21/62/527362162.db2.gz GQTWJDOFUPRXKO-UHFFFAOYSA-N 0 0 402.376 4.488 50 5 HIBARN O=c1c([N+](=O)[O-])c(Oc2cc(C(F)(F)F)cc(C(F)(F)F)c2)nc2ccccn12 ZINC000042655896 527453064 /nfs/dbraw/zinc/45/30/64/527453064.db2.gz KVAYXWYIAUVLIY-UHFFFAOYSA-N 0 0 419.237 4.433 50 5 HIBARN Cc1c(OCC(=O)Nc2ccc3c(c2)OCCO3)ccc2c3ccccc3c(=O)oc12 ZINC000002840883 557400873 /nfs/dbraw/zinc/40/08/73/557400873.db2.gz VSEGZZQDPDFQAM-UHFFFAOYSA-N 0 0 417.417 4.043 50 5 HIBARN COc1ccccc1-n1c2nc3ccccc3nc2c2c1ncn(C1CCCC1)c2=O ZINC000004857678 557607192 /nfs/dbraw/zinc/60/71/92/557607192.db2.gz NCCYUFOJWSUFER-UHFFFAOYSA-N 0 0 411.465 4.407 50 5 HIBARN CCCOc1cc(NC(=O)[C@H]2COc3ccccc3C2)c([N+](=O)[O-])cc1OCCC ZINC000010755137 558438141 /nfs/dbraw/zinc/43/81/41/558438141.db2.gz GOPOVXLSWIOFGF-MRXNPFEDSA-N 0 0 414.458 4.362 50 5 HIBARN O=C(CNc1cc(C(F)(F)F)ccc1N1CCCC1)Nc1cccc([N+](=O)[O-])c1 ZINC000010844726 558492519 /nfs/dbraw/zinc/49/25/19/558492519.db2.gz SSNGHXOUIDGVQW-UHFFFAOYSA-N 0 0 408.380 4.264 50 5 HIBARN CN(C)c1ccc(C(=O)Nc2ccc3nc(N4CCCC4)sc3c2)cc1[N+](=O)[O-] ZINC000010985283 558641509 /nfs/dbraw/zinc/64/15/09/558641509.db2.gz XCBGTEBGUFTROJ-UHFFFAOYSA-N 0 0 411.487 4.123 50 5 HIBARN COc1cc(-c2noc(CCCCCNc3ccc([N+](=O)[O-])cc3F)n2)ccc1O ZINC000072275426 558701821 /nfs/dbraw/zinc/70/18/21/558701821.db2.gz CLAFGBRXPCKECL-UHFFFAOYSA-N 0 0 416.409 4.323 50 5 HIBARN CCCCOc1ccc(-c2nnc3n2N=C(c2cccc([N+](=O)[O-])c2)CS3)cc1 ZINC000004598339 558834403 /nfs/dbraw/zinc/83/44/03/558834403.db2.gz RLWDNOLUGQMXGF-UHFFFAOYSA-N 0 0 409.471 4.390 50 5 HIBARN Cc1cc([N+](=O)[O-])c(C)cc1-c1ccc(/C=c2\sc3nc4ccccc4n3c2=O)o1 ZINC000013575065 558844041 /nfs/dbraw/zinc/84/40/41/558844041.db2.gz BFLLCEYDXDAYNY-JAIQZWGSSA-N 0 0 417.446 4.242 50 5 HIBARN O=c1ccccc2c(/C=C/c3ccc4c(c3)OCO4)nn(-c3ccc([N+](=O)[O-])cc3)c21 ZINC000004667320 558874631 /nfs/dbraw/zinc/87/46/31/558874631.db2.gz RDZPEWLVTZAPAT-VZUCSPMQSA-N 0 0 413.389 4.193 50 5 HIBARN O=C1[C@@H]2CC=CC[C@H]2C(=O)N1c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000004683910 558894283 /nfs/dbraw/zinc/89/42/83/558894283.db2.gz DKWOAYCOKSTUDP-HZPDHXFCSA-N 0 0 411.845 4.316 50 5 HIBARN CCc1ccc(-n2nc3cc(C)c(NC(=O)c4cccc([N+](=O)[O-])c4)cc3n2)cc1 ZINC000013946194 558985039 /nfs/dbraw/zinc/98/50/39/558985039.db2.gz KDVDTQSMACZVBJ-UHFFFAOYSA-N 0 0 401.426 4.452 50 5 HIBARN COc1ccc([N+](=O)[O-])cc1NC(=O)c1cc2c(s1)c1cc(C)ccc1oc2=O ZINC000004939343 559211785 /nfs/dbraw/zinc/21/17/85/559211785.db2.gz INUMXOINBWJYBZ-UHFFFAOYSA-N 0 0 410.407 4.485 50 5 HIBARN Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000005091636 559243423 /nfs/dbraw/zinc/24/34/23/559243423.db2.gz ZBOCIBOQHUPBHM-BWWMBTDCSA-N 0 0 410.429 4.300 50 5 HIBARN COc1ccccc1C(=O)N/C(=C/c1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000005101861 559245554 /nfs/dbraw/zinc/24/55/54/559245554.db2.gz ULCALJLIGBQGHJ-HMMYKYKNSA-N 0 0 417.421 4.013 50 5 HIBARN CCCCNC(=O)N[C@H](CC(=O)c1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)Cl ZINC000005119178 559247537 /nfs/dbraw/zinc/24/75/37/559247537.db2.gz MGQBJJPGRYGEFR-CYBMUJFWSA-N 0 0 410.685 4.006 50 5 HIBARN Cc1ccc2c(c1)[C@@H](c1ccccc1)N(C(=O)c1cccc([N+](=O)[O-])c1)CC(=O)N2 ZINC000005125427 559248191 /nfs/dbraw/zinc/24/81/91/559248191.db2.gz QMQFDKQSPKYSSS-JOCHJYFZSA-N 0 0 401.422 4.087 50 5 HIBARN O=C1c2oc3ccccc3c(=O)c2[C@H](c2ccc([N+](=O)[O-])cc2)N1Cc1ccco1 ZINC000005164906 559277647 /nfs/dbraw/zinc/27/76/47/559277647.db2.gz ZLLZWYDBTLGQES-IBGZPJMESA-N 0 0 402.362 4.040 50 5 HIBARN Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1cccc([N+](=O)[O-])c1)N(c1ccccn1)C3=O ZINC000005218310 560543954 /nfs/dbraw/zinc/54/39/54/560543954.db2.gz UGDPMPHIMXJICY-FQEVSTJZSA-N 0 0 413.389 4.154 50 5 HIBARN Cc1cccc(C(=O)OCCCC(=O)c2ccc(Br)cc2)c1[N+](=O)[O-] ZINC000005228151 560546290 /nfs/dbraw/zinc/54/62/90/560546290.db2.gz BMSVZKLBQKHVMY-UHFFFAOYSA-N 0 0 406.232 4.486 50 5 HIBARN O=C(Nc1ccc(N2CCCCCC2)cc1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000005244873 560550262 /nfs/dbraw/zinc/55/02/62/560550262.db2.gz VECIAKKTZCPKFG-UHFFFAOYSA-N 0 0 424.501 4.064 50 5 HIBARN COc1cc(NC(=O)COC(=O)c2cc3c(s2)CCCCC3)c(C)cc1[N+](=O)[O-] ZINC000005362313 560571858 /nfs/dbraw/zinc/57/18/58/560571858.db2.gz UPZMUUVHFIRGLQ-UHFFFAOYSA-N 0 0 418.471 4.038 50 5 HIBARN CCCCCc1nc2c(c(=O)c3ccccc3n2C)c(=O)n1CCc1ccccc1 ZINC000005428666 560586175 /nfs/dbraw/zinc/58/61/75/560586175.db2.gz PVPUXDIDFFURGJ-UHFFFAOYSA-N 0 0 401.510 4.224 50 5 HIBARN CC[C@@H]1CCc2c(sc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)c2C(N)=O)C1 ZINC000005476597 560594521 /nfs/dbraw/zinc/59/45/21/560594521.db2.gz HSHVPIIFWJWWRY-SECBINFHSA-N 0 0 407.879 4.176 50 5 HIBARN CC(C)(C)[P@@](=NC(=O)c1ccc([N+](=O)[O-])cc1)(c1ccncc1)N1CCCC1 ZINC000005496419 560598074 /nfs/dbraw/zinc/59/80/74/560598074.db2.gz MAESEIWIYDJEGZ-MUUNZHRXSA-N 0 0 400.419 4.466 50 5 HIBARN C[C@H]1C[C@H](C)CN(c2ccc(C(=O)OCC(=O)c3ccc(F)cc3)cc2[N+](=O)[O-])C1 ZINC000005658323 560636913 /nfs/dbraw/zinc/63/69/13/560636913.db2.gz PVSJUGSOUOULES-GJZGRUSLSA-N 0 0 414.433 4.256 50 5 HIBARN CCOC(=O)c1cc(C(=O)N(C)Cc2cccc(Cl)c2Cl)cc([N+](=O)[O-])c1 ZINC000017916968 560730555 /nfs/dbraw/zinc/73/05/55/560730555.db2.gz FHQKSVOWHDXHAJ-UHFFFAOYSA-N 0 0 411.241 4.351 50 5 HIBARN CCOc1cc(CN(C(=O)c2cccc([N+](=O)[O-])c2)C2CC2)ccc1OC(F)F ZINC000018135921 560779670 /nfs/dbraw/zinc/77/96/70/560779670.db2.gz DCBOMNVONXIDHL-UHFFFAOYSA-N 0 0 406.385 4.400 50 5 HIBARN C[C@@H]1CC[C@H]2C(=O)N(c3ccc(N(C)CCc4ccccc4)c([N+](=O)[O-])c3)C(=O)[C@@H]2C1 ZINC000102642421 560819730 /nfs/dbraw/zinc/81/97/30/560819730.db2.gz XMXOMVKWEQWXIG-NSISKUIASA-N 0 0 421.497 4.199 50 5 HIBARN CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000024456967 560826297 /nfs/dbraw/zinc/82/62/97/560826297.db2.gz GEVBKICAAGBJOB-UHFFFAOYSA-N 0 0 416.286 4.372 50 5 HIBARN O=C1[C@@H]2CC=CC[C@@H]2C(=O)N1c1ccc(NCc2cccc(Cl)c2)c([N+](=O)[O-])c1 ZINC000102785144 560827559 /nfs/dbraw/zinc/82/75/59/560827559.db2.gz ZEYAPMLOJPNADZ-CALCHBBNSA-N 0 0 411.845 4.316 50 5 HIBARN O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000014809612 560852629 /nfs/dbraw/zinc/85/26/29/560852629.db2.gz JNWLRHHZRSOJQO-UHFFFAOYSA-N 0 0 408.360 4.115 50 5 HIBARN O=C(Cc1ccccc1[N+](=O)[O-])N1CCC[C@H]1Cc1ccc(Br)cc1 ZINC000048375076 568442325 /nfs/dbraw/zinc/44/23/25/568442325.db2.gz SFSYVBHGLDOFJD-KRWDZBQOSA-N 0 0 403.276 4.134 50 5 HIBARN COc1cc(NC(=O)c2cccc([N+](=O)[O-])c2)c(OC)cc1NC(=O)c1ccccc1 ZINC000000741780 568470549 /nfs/dbraw/zinc/47/05/49/568470549.db2.gz RAHPEUAGVOBMQF-UHFFFAOYSA-N 0 0 421.409 4.117 50 5 HIBARN COc1cc(Br)c(-c2cc3cc([N+](=O)[O-])ccc3oc2=O)cc1OC ZINC000000838888 568501947 /nfs/dbraw/zinc/50/19/47/568501947.db2.gz WQEJYQBBWMVEOS-UHFFFAOYSA-N 0 0 406.188 4.148 50 5 HIBARN CCOc1ccc(CCNC(=O)[C@@H](C)Sc2ccsc2[N+](=O)[O-])cc1OCC ZINC000020379548 568602503 /nfs/dbraw/zinc/60/25/03/568602503.db2.gz LGKGHDWDTDZHLI-CYBMUJFWSA-N 0 0 424.544 4.293 50 5 HIBARN COc1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccccc2[N+](=O)[O-])c(OC)c1 ZINC000020915837 568650798 /nfs/dbraw/zinc/65/07/98/568650798.db2.gz QNGANGVNJGGLKJ-OAQYLSRUSA-N 0 0 405.410 4.383 50 5 HIBARN CC(=O)N1N=C(c2cc([N+](=O)[O-])ccc2Cl)O[C@H]1c1ccc(Br)cc1 ZINC000021091869 568664226 /nfs/dbraw/zinc/66/42/26/568664226.db2.gz JBOHPXWDVPEOPQ-INIZCTEOSA-N 0 0 424.638 4.250 50 5 HIBARN CC(C)CCc1noc(COc2c3cc(Br)ccc3ncc2[N+](=O)[O-])n1 ZINC000096003408 568681827 /nfs/dbraw/zinc/68/18/27/568681827.db2.gz LDOFTOMZHGIMCV-UHFFFAOYSA-N 0 0 421.251 4.456 50 5 HIBARN CC(=O)Oc1ccc2cc(-c3nc(-c4ccc([N+](=O)[O-])cc4)cs3)c(=O)oc2c1 ZINC000000846069 568710709 /nfs/dbraw/zinc/71/07/09/568710709.db2.gz WKRWRLSFVLKZOQ-UHFFFAOYSA-N 0 0 408.391 4.417 50 5 HIBARN CCCN(CCc1nc(-c2cccc([N+](=O)[O-])c2)no1)C(=O)c1ccccc1Cl ZINC000096278634 568716936 /nfs/dbraw/zinc/71/69/36/568716936.db2.gz NWZAHLYIVQOUSQ-UHFFFAOYSA-N 0 0 414.849 4.393 50 5 HIBARN CC[C@H](C)N(CCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C(=O)c1ccc(C)cc1 ZINC000096288355 568719380 /nfs/dbraw/zinc/71/93/80/568719380.db2.gz NNAJONBHUPHARU-INIZCTEOSA-N 0 0 408.458 4.437 50 5 HIBARN CCn1c(SCc2ccccc2C(=O)NC2CC2)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000096291099 568720662 /nfs/dbraw/zinc/72/06/62/568720662.db2.gz FJDHIMOGJMECPV-UHFFFAOYSA-N 0 0 423.498 4.058 50 5 HIBARN CC(=O)c1c(OC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)ccc2c(C)cc(=O)oc21 ZINC000000946376 568754539 /nfs/dbraw/zinc/75/45/39/568754539.db2.gz BSECFHGJINDXNQ-UHFFFAOYSA-N 0 0 401.758 4.085 50 5 HIBARN Cc1ccc(C)c(N2C(=O)[C@@H]3[C@@H](C2=O)C2c4ccccc4C3([N+](=O)[O-])c3ccccc32)c1 ZINC000001072311 568768299 /nfs/dbraw/zinc/76/82/99/568768299.db2.gz HYTQEWLPIKHJJG-ZQFKLAOWSA-N 0 0 424.456 4.088 50 5 HIBARN CCc1cc(I)ccc1NC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000001114254 568770590 /nfs/dbraw/zinc/77/05/90/568770590.db2.gz GSMQBZGKEBLHAI-UHFFFAOYSA-N 0 0 410.211 4.323 50 5 HIBARN CCC(=O)N1N=C(c2cccc([N+](=O)[O-])c2)C[C@H]1c1ccc(Br)cc1 ZINC000001122874 568771371 /nfs/dbraw/zinc/77/13/71/568771371.db2.gz BNZMTVQUIIRFIM-KRWDZBQOSA-N 0 0 402.248 4.445 50 5 HIBARN Cc1ccc(-c2nc3ncccc3o2)cc1NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000001145217 568772532 /nfs/dbraw/zinc/77/25/32/568772532.db2.gz AZRYPCZVJBZYJQ-UHFFFAOYSA-N 0 0 404.382 4.124 50 5 HIBARN O=C(COC(=O)c1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c1)c1ccc(F)cc1 ZINC000001153650 568774032 /nfs/dbraw/zinc/77/40/32/568774032.db2.gz KRZSCNYOSPRJQV-UHFFFAOYSA-N 0 0 422.368 4.026 50 5 HIBARN O=C(Nc1cc(C(F)(F)F)ccc1OC[C@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000001154129 568774253 /nfs/dbraw/zinc/77/42/53/568774253.db2.gz VFUSSRTWOPGMKZ-OAHLLOKOSA-N 0 0 410.348 4.424 50 5 HIBARN CCOc1ccc(-n2nc3cc(C)c(NC(=O)c4ccccc4[N+](=O)[O-])cc3n2)cc1 ZINC000001157578 568774435 /nfs/dbraw/zinc/77/44/35/568774435.db2.gz NJNOUBSTYQPHLK-UHFFFAOYSA-N 0 0 417.425 4.288 50 5 HIBARN Cc1cc(OC(=O)CNC(=O)OCc2ccccc2)cc2oc(=O)c3ccccc3c12 ZINC000001158471 568775268 /nfs/dbraw/zinc/77/52/68/568775268.db2.gz YCSGKVOBSMNJIM-UHFFFAOYSA-N 0 0 417.417 4.086 50 5 HIBARN O=C(c1ccc(F)cc1)c1ccc(OCc2cc([N+](=O)[O-])cc3c2OCOC3)cc1 ZINC000002619617 568786844 /nfs/dbraw/zinc/78/68/44/568786844.db2.gz RYQPRTZGBQHKSA-UHFFFAOYSA-N 0 0 409.369 4.410 50 5 HIBARN CSCC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2ccccc2[nH]1 ZINC000002629196 568790208 /nfs/dbraw/zinc/79/02/08/568790208.db2.gz HYKNQLOEURKTMR-INIZCTEOSA-N 0 0 404.879 4.349 50 5 HIBARN Cc1cccc(NC(=O)c2ccn(COc3ccc([N+](=O)[O-])cc3Cl)n2)c1C ZINC000002798552 568809600 /nfs/dbraw/zinc/80/96/00/568809600.db2.gz URKJPNMHKKOPJU-UHFFFAOYSA-N 0 0 400.822 4.350 50 5 HIBARN Cc1ccc(NC(=O)c2ccn(COc3ccc([N+](=O)[O-])cc3Cl)n2)cc1C ZINC000002799957 568809603 /nfs/dbraw/zinc/80/96/03/568809603.db2.gz SMSZXMKRKQRZHM-UHFFFAOYSA-N 0 0 400.822 4.350 50 5 HIBARN Cc1ccc(OCCSc2nnc(NC(=O)c3ccc([N+](=O)[O-])cc3)s2)cc1 ZINC000002844542 568812948 /nfs/dbraw/zinc/81/29/48/568812948.db2.gz SCGIQPBBSKRXLR-UHFFFAOYSA-N 0 0 416.484 4.178 50 5 HIBARN Cc1cc(NC(=O)c2cccc([N+](=O)[O-])c2C)c(C)cc1I ZINC000002858032 568813284 /nfs/dbraw/zinc/81/32/84/568813284.db2.gz KGADPECMURFCNQ-UHFFFAOYSA-N 0 0 410.211 4.377 50 5 HIBARN O=C(c1ccc([N+](=O)[O-])cc1)n1nc(-c2ccccc2)nc1NCc1ccc(F)cc1 ZINC000002858866 568813338 /nfs/dbraw/zinc/81/33/38/568813338.db2.gz JQLDJDANXLWMET-UHFFFAOYSA-N 0 0 417.400 4.293 50 5 aggregator HIBARN Cc1c(Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c(=O)n(-c2ccccc2)n1C ZINC000002853269 568813346 /nfs/dbraw/zinc/81/33/46/568813346.db2.gz NQBHAQSJXLJXMS-UHFFFAOYSA-N 0 0 407.455 4.260 50 5 HIBARN O=C(CNC(=O)c1ccccc1)OCc1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000002871292 568813752 /nfs/dbraw/zinc/81/37/52/568813752.db2.gz AGYOCKYSXZUCKG-UHFFFAOYSA-N 0 0 422.462 4.219 50 5 HIBARN COc1ccc(Br)cc1[C@@H]1SCCN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000002878827 568814104 /nfs/dbraw/zinc/81/41/04/568814104.db2.gz LXYSRYBOLNKRRN-KRWDZBQOSA-N 0 0 423.288 4.254 50 5 HIBARN O=C(CSc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccc2c(c1)OCO2 ZINC000002890908 568814960 /nfs/dbraw/zinc/81/49/60/568814960.db2.gz VIQZCFJURUTRJE-UHFFFAOYSA-N 0 0 400.437 4.422 50 5 HIBARN COc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc([N+](=O)[O-])c(C)c4)cc3n2)cc1 ZINC000001170604 568818839 /nfs/dbraw/zinc/81/88/39/568818839.db2.gz CHXLNNCHQPUGAT-UHFFFAOYSA-N 0 0 417.425 4.206 50 5 HIBARN O=C(Nc1ccc(I)cc1Cl)c1ccccc1[N+](=O)[O-] ZINC000001217222 568824685 /nfs/dbraw/zinc/82/46/85/568824685.db2.gz JVLJEEBPOPRNAQ-UHFFFAOYSA-N 0 0 402.575 4.105 50 5 HIBARN CC[C@H](Sc1nc2ccccc2c2nc3ccccc3n21)C(=O)NCCCOC ZINC000002959673 568830194 /nfs/dbraw/zinc/83/01/94/568830194.db2.gz IIRNZXXOCPJECV-IBGZPJMESA-N 0 0 408.527 4.059 50 5 HIBARN O=C1NC(=S)SC1=Cc1ccc(OCCOc2ccc([N+](=O)[O-])cc2)cc1 ZINC000002999332 568836259 /nfs/dbraw/zinc/83/62/59/568836259.db2.gz RAIXPWDVGDESOH-LFIBNONCSA-N 0 0 402.453 4.382 50 5 HIBARN O=C(Nc1ccc(I)cc1)c1cc([N+](=O)[O-])ccc1Cl ZINC000001227343 568838427 /nfs/dbraw/zinc/83/84/27/568838427.db2.gz PUFXLMJNPWQMGF-UHFFFAOYSA-N 0 0 402.575 4.105 50 5 HIBARN CCN(CC)S(=O)(=O)c1ccc(N[C@H]2CCC[C@H](C(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC000012517250 568840841 /nfs/dbraw/zinc/84/08/41/568840841.db2.gz XNQLBPYSZFNVKN-STQMWFEESA-N 0 0 423.457 4.158 50 5 HIBARN C[C@@H](OCCCNC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1ccccc1 ZINC000012527851 568843777 /nfs/dbraw/zinc/84/37/77/568843777.db2.gz RYBUIPXLPUSAKF-LJQANCHMSA-N 0 0 414.505 4.439 50 5 HIBARN COc1ccc(NC(=O)[C@@H](C)Nc2ccc(-c3csc(C)n3)cc2)c([N+](=O)[O-])c1 ZINC000012562336 568859203 /nfs/dbraw/zinc/85/92/03/568859203.db2.gz RVXGDASHYXVUQY-GFCCVEGCSA-N 0 0 412.471 4.474 50 5 HIBARN Cc1ccccc1N1C(=O)c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2C1=O ZINC000003195411 568860932 /nfs/dbraw/zinc/86/09/32/568860932.db2.gz AYFHUEDWGSFPAD-UHFFFAOYSA-N 0 0 419.349 4.404 50 5 HIBARN O=C(Nc1ccc(-c2nnc3n2CCCCC3)cc1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000003245433 568867117 /nfs/dbraw/zinc/86/71/17/568867117.db2.gz BKXQMCIFWHDHLE-UHFFFAOYSA-N 0 0 411.849 4.485 50 5 HIBARN COc1ccccc1N[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)Cl ZINC000001232866 568880887 /nfs/dbraw/zinc/88/08/87/568880887.db2.gz HPMUSYZRTHHXFT-OAHLLOKOSA-N 0 0 418.664 4.142 50 5 HIBARN Cc1c(NC(=O)CSc2nc3ccc([N+](=O)[O-])cc3s2)cccc1[N+](=O)[O-] ZINC000003340849 568883663 /nfs/dbraw/zinc/88/36/63/568883663.db2.gz VMJLQNPOEZRDFT-UHFFFAOYSA-N 0 0 404.429 4.152 50 5 HIBARN Cc1c2c(cc3c4ccccc4c(=O)oc13)CN(Cc1ccc3c(c1)OCO3)CO2 ZINC000058090636 568884185 /nfs/dbraw/zinc/88/41/85/568884185.db2.gz QWXOMRMUGVYMHL-UHFFFAOYSA-N 0 0 401.418 4.335 50 5 HIBARN C[C@@H](OC(=O)c1ccc(Sc2ccccc2)c([N+](=O)[O-])c1)C(=O)NC1CCCC1 ZINC000003367462 568889329 /nfs/dbraw/zinc/88/93/29/568889329.db2.gz PRMSYUNZBCCGHW-CQSZACIVSA-N 0 0 414.483 4.350 50 5 HIBARN O=C(c1ccc([N+](=O)[O-])s1)N1CCC(C(O)(c2ccccc2)c2ccccc2)CC1 ZINC000003429603 568901154 /nfs/dbraw/zinc/90/11/54/568901154.db2.gz DXXRGMCKOMLIIX-UHFFFAOYSA-N 0 0 422.506 4.445 50 5 HIBARN NC(=O)c1ccc(Sc2nnc(-c3cccs3)n2-c2ccccc2)c([N+](=O)[O-])c1 ZINC000003449939 568905304 /nfs/dbraw/zinc/90/53/04/568905304.db2.gz ZBGYLTDSPLPMHS-UHFFFAOYSA-N 0 0 423.479 4.154 50 5 HIBARN O=C(Nc1ccc(=O)n(Cc2ccc(Cl)c(Cl)c2)c1)c1ccccc1[N+](=O)[O-] ZINC000001396485 568926305 /nfs/dbraw/zinc/92/63/05/568926305.db2.gz AKRRZUWPMFNJOB-UHFFFAOYSA-N 0 0 418.236 4.364 50 5 HIBARN O=C(c1ccc(C(F)(F)F)cc1)N1CCN=C1SCc1cccc([N+](=O)[O-])c1 ZINC000004120669 568944798 /nfs/dbraw/zinc/94/47/98/568944798.db2.gz GIZJUPWUBPVYMX-UHFFFAOYSA-N 0 0 409.389 4.359 50 5 HIBARN COCCn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1-c1c[nH]c2ccccc21 ZINC000004138677 568945768 /nfs/dbraw/zinc/94/57/68/568945768.db2.gz XFOXZSLWWUACIQ-UHFFFAOYSA-N 0 0 409.471 4.273 50 5 HIBARN CC(C)[C@H]1CC[C@H](C)C[C@H]1OC(=O)CCC(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000004179321 568948163 /nfs/dbraw/zinc/94/81/63/568948163.db2.gz XWUWJQFHHRAQMX-QKYXUNIQSA-N 0 0 419.474 4.105 50 5 HIBARN O=C(c1cc([N+](=O)[O-])ccc1Oc1ccccc1)N1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000084556983 568951087 /nfs/dbraw/zinc/95/10/87/568951087.db2.gz ROYRUESWORVGNX-GOSISDBHSA-N 0 0 424.375 4.163 50 5 HIBARN O=C1OC(c2cc([N+](=O)[O-])ccc2Cl)=N/C1=C\c1cccc(Br)c1 ZINC000001435300 568951350 /nfs/dbraw/zinc/95/13/50/568951350.db2.gz GNAMJMNQSJNDRF-AUWJEWJLSA-N 0 0 407.607 4.355 50 5 HIBARN Cc1cc(C)nc(Sc2ccc(NC(=O)c3cc(F)cc([N+](=O)[O-])c3N)cc2)n1 ZINC000059363044 568952153 /nfs/dbraw/zinc/95/21/53/568952153.db2.gz PDICYDJMCVZVRK-UHFFFAOYSA-N 0 0 413.434 4.126 50 5 HIBARN O=C(NC[C@@H](c1ccco1)N1CCc2ccccc21)c1ccc([N+](=O)[O-])cc1Cl ZINC000004305114 568976895 /nfs/dbraw/zinc/97/68/95/568976895.db2.gz JJUWGKWHGKHGOG-IBGZPJMESA-N 0 0 411.845 4.375 50 5 HIBARN C[C@@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(Cc2ccccc2Oc2ccccc2)C1=O ZINC000004307096 568977817 /nfs/dbraw/zinc/97/78/17/568977817.db2.gz JXAHGYQBDUQNML-QHCPKHFHSA-N 0 0 417.421 4.354 50 5 HIBARN CCOc1ccc(NC(=O)[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2Cl)C(C)C)cc1 ZINC000008324220 568990916 /nfs/dbraw/zinc/99/09/16/568990916.db2.gz KVUCUOBYLJEXBN-GOSISDBHSA-N 0 0 419.865 4.040 50 5 HIBARN O=c1/c(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)sc2nc3ccccc3n12 ZINC000008427651 569001831 /nfs/dbraw/zinc/00/18/31/569001831.db2.gz PZFJNXZDLJUKIM-ZDLGFXPLSA-N 0 0 423.837 4.279 50 5 HIBARN CCOc1ccc(-c2nc(NC(=O)COc3ccccc3[N+](=O)[O-])sc2C)cc1 ZINC000006155753 569015446 /nfs/dbraw/zinc/01/54/46/569015446.db2.gz URFPWSTULYHIGT-UHFFFAOYSA-N 0 0 413.455 4.443 50 5 HIBARN Cc1cc(NC(=O)COC(=O)/C=C/c2ccc(OC(F)F)cc2)c([N+](=O)[O-])cc1C ZINC000015912540 569020720 /nfs/dbraw/zinc/02/07/20/569020720.db2.gz FLHPTLCECCGWGX-VMPITWQZSA-N 0 0 420.368 4.008 50 5 HIBARN COc1ccc(NC(=O)CN2CCc3sccc3[C@@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000012928100 569024096 /nfs/dbraw/zinc/02/40/96/569024096.db2.gz BZRXEBSFTHUBMG-QFIPXVFZSA-N 0 0 423.494 4.251 50 5 HIBARN O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1NCc1ccccc1Cl ZINC000006257831 569035868 /nfs/dbraw/zinc/03/58/68/569035868.db2.gz UWLYHSFDUZHUSP-UHFFFAOYSA-N 0 0 409.895 4.035 50 5 HIBARN CC(C)Cn1c2ccccc2nc1SCC(=O)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000006313625 569040123 /nfs/dbraw/zinc/04/01/23/569040123.db2.gz FBAGHENPNCRUIF-UHFFFAOYSA-N 0 0 402.451 4.470 50 5 HIBARN C[C@@H]1CN([C@@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)C[C@@H](C)O1 ZINC000016443986 569051307 /nfs/dbraw/zinc/05/13/07/569051307.db2.gz VFUIPPGONZCIQD-PJIJBLCYSA-N 0 0 403.866 4.037 50 5 HIBARN CCOc1ccc(/C=C2\N=C(c3ccc(Cl)c([N+](=O)[O-])c3)OC2=O)cc1OCC ZINC000001835981 569056365 /nfs/dbraw/zinc/05/63/65/569056365.db2.gz NUFRRJRVVIBBLE-DHDCSXOGSA-N 0 0 416.817 4.390 50 5 HIBARN O=C(N[C@H](Cc1ccccc1)c1nc(-c2cccc([N+](=O)[O-])c2)no1)c1cccs1 ZINC000035845031 569062608 /nfs/dbraw/zinc/06/26/08/569062608.db2.gz YCVGFHXMJYXRLO-QGZVFWFLSA-N 0 0 420.450 4.420 50 5 HIBARN COc1ccc(C(=O)Oc2ccc(C3SCCS3)cc2OC)cc1[N+](=O)[O-] ZINC000006540429 569064494 /nfs/dbraw/zinc/06/44/94/569064494.db2.gz YDEIXXBLBIPPQW-UHFFFAOYSA-N 0 0 407.469 4.310 50 5 HIBARN Cn1cnnc1Sc1ccc(C(=O)Nc2ccc(C(C)(C)C)cc2)cc1[N+](=O)[O-] ZINC000006552629 569065322 /nfs/dbraw/zinc/06/53/22/569065322.db2.gz YRQXRISOTJLNQY-UHFFFAOYSA-N 0 0 411.487 4.424 50 5 HIBARN Cc1ccc(S(=O)(=O)n2c3ccc([N+](=O)[O-])cc3c3cc([N+](=O)[O-])ccc32)cc1 ZINC000002054113 569072196 /nfs/dbraw/zinc/07/21/96/569072196.db2.gz RLWWVXHNVNGPBB-UHFFFAOYSA-N 0 0 411.395 4.156 50 5 HIBARN Cc1ccc(N(Cc2ccccc2)S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1F ZINC000036247203 569116900 /nfs/dbraw/zinc/11/69/00/569116900.db2.gz OVGZSKJSORQLGK-UHFFFAOYSA-N 0 0 400.431 4.438 50 5 HIBARN COc1ccc(N(Cc2ccc(C)cc2)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000036247053 569116961 /nfs/dbraw/zinc/11/69/61/569116961.db2.gz BBAUGGSEIIQSGZ-UHFFFAOYSA-N 0 0 412.467 4.307 50 5 HIBARN Cc1ccccc1CN(c1cccc(F)c1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000036247352 569117043 /nfs/dbraw/zinc/11/70/43/569117043.db2.gz YSEBPKKYSOBTJR-UHFFFAOYSA-N 0 0 400.431 4.438 50 5 HIBARN Cc1ccc(NC(=O)COc2ncnc3sc4c(c32)CC[C@H](C)C4)c([N+](=O)[O-])c1 ZINC000007238921 569230226 /nfs/dbraw/zinc/23/02/26/569230226.db2.gz WQCUOEZFTRRRGX-LBPRGKRZSA-N 0 0 412.471 4.050 50 5 HIBARN Cc1ccc(NC(=O)[C@@]23CCC(=O)N2c2cc(Cl)ccc2S3)cc1[N+](=O)[O-] ZINC000065515190 569233208 /nfs/dbraw/zinc/23/32/08/569233208.db2.gz YSXSXLSWBSZTFT-SFHVURJKSA-N 0 0 403.847 4.124 50 5 HIBARN O=C(NCc1ccc(-c2nc3ncccc3o2)cc1)c1ccc([N+](=O)[O-])cc1Cl ZINC000007389198 569235830 /nfs/dbraw/zinc/23/58/30/569235830.db2.gz XDDRSRCYSOKKHM-UHFFFAOYSA-N 0 0 408.801 4.381 50 5 HIBARN Cc1cc(OCC(=O)N[C@H](c2cccs2)c2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC000007549482 569248899 /nfs/dbraw/zinc/24/88/99/569248899.db2.gz BOTQWZDGLMENIG-FQEVSTJZSA-N 0 0 400.431 4.388 50 5 HIBARN CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N[C@H]2C[C@@H]2c2c(F)cccc2F)CC1 ZINC000170629086 569250786 /nfs/dbraw/zinc/25/07/86/569250786.db2.gz NTHZYBBBROFBDE-KXBFYZLASA-N 0 0 415.440 4.395 50 5 HIBARN O=C(CN1c2ccccc2S[C@@H](c2ccco2)CC1=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000017200664 569276408 /nfs/dbraw/zinc/27/64/08/569276408.db2.gz UOFHEXDJAKCHOR-LJQANCHMSA-N 0 0 423.450 4.397 50 5 HIBARN CCOc1ccc(CN(C)[C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1OC ZINC000007592482 569283875 /nfs/dbraw/zinc/28/38/75/569283875.db2.gz CCZBYHBEVRGPQR-CQSZACIVSA-N 0 0 412.446 4.245 50 5 HIBARN CCn1c(S[C@@H](C(=O)N(C)C)c2ccccc2)nc2cc3ccccc3cc2c1=O ZINC000007720681 569302286 /nfs/dbraw/zinc/30/22/86/569302286.db2.gz UYPLSTSQSRNMMV-OAQYLSRUSA-N 0 0 417.534 4.491 50 5 HIBARN CCn1c(S[C@H](C(=O)N(C)C)c2ccccc2)nc2cc3ccccc3cc2c1=O ZINC000007720680 569302314 /nfs/dbraw/zinc/30/23/14/569302314.db2.gz UYPLSTSQSRNMMV-NRFANRHFSA-N 0 0 417.534 4.491 50 5 HIBARN C[C@H](NC(=O)COC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccc2c(c1)CCCC2 ZINC000007756231 569307200 /nfs/dbraw/zinc/30/72/00/569307200.db2.gz IIAFDMSCZZTMFQ-ZDUSSCGKSA-N 0 0 416.861 4.161 50 5 HIBARN CCCCn1c(=O)nc2n(-c3ccc(Br)cc3)c3ccccc3cc-2c1=O ZINC000002223564 569313399 /nfs/dbraw/zinc/31/33/99/569313399.db2.gz YHGGRYGWOVDJOT-UHFFFAOYSA-N 0 0 424.298 4.215 50 5 HIBARN Cc1cccc(NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)NC(=O)c2ccccc2F)c1 ZINC000027522091 569351330 /nfs/dbraw/zinc/35/13/30/569351330.db2.gz HUAFBWGXDKCINX-STZFKDTASA-N 0 0 419.412 4.452 50 5 HIBARN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N(CC(F)(F)F)c2ccccc2)c1Cl ZINC000253428489 569368616 /nfs/dbraw/zinc/36/86/16/569368616.db2.gz LDKAKEVBGLCOKD-UHFFFAOYSA-N 0 0 408.785 4.314 50 5 HIBARN O=C(Nc1ccc2nn(-c3ccc(F)cc3)nc2c1)c1ccc([N+](=O)[O-])cc1Cl ZINC000008856494 569390439 /nfs/dbraw/zinc/39/04/39/569390439.db2.gz YMCILEBRKJLBFO-UHFFFAOYSA-N 0 0 411.780 4.374 50 5 HIBARN COc1cc([N+](=O)[O-])ccc1NC(=O)COc1ccc(Br)cc1Cl ZINC000009715511 569393812 /nfs/dbraw/zinc/39/38/12/569393812.db2.gz KDZDQXQSBJCXSL-UHFFFAOYSA-N 0 0 415.627 4.037 50 5 HIBARN CC[C@@H](C)n1cnc2c(c3nc4ccccc4nc3n2Cc2ccc(OC)cc2)c1=O ZINC000002422808 569398259 /nfs/dbraw/zinc/39/82/59/569398259.db2.gz BRIVLQZOUPGFGF-OAHLLOKOSA-N 0 0 413.481 4.322 50 5 HIBARN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@@H]1c1nc2ccccc2s1 ZINC000012979259 569405710 /nfs/dbraw/zinc/40/57/10/569405710.db2.gz HUDORYHNZKEHCA-OAHLLOKOSA-N 0 0 403.485 4.039 50 5 HIBARN Cn1cnnc1Sc1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1[N+](=O)[O-] ZINC000013149791 569410044 /nfs/dbraw/zinc/41/00/44/569410044.db2.gz YIEGBFKRJGNLAQ-UHFFFAOYSA-N 0 0 424.269 4.434 50 5 HIBARN O=C(NCc1cccnc1OC1CCCC1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000040090843 571160920 /nfs/dbraw/zinc/16/09/20/571160920.db2.gz PCCYPULHHFBRMW-UHFFFAOYSA-N 0 0 424.501 4.232 50 5 HIBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CCCN(c2ncccc2C(F)(F)F)C1 ZINC000040130869 571182849 /nfs/dbraw/zinc/18/28/49/571182849.db2.gz KFHGSYUWSMKNRY-CYBMUJFWSA-N 0 0 408.380 4.172 50 5 HIBARN O=C(NC1CCCCCCC1)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C1CC1 ZINC000009253887 571243092 /nfs/dbraw/zinc/24/30/92/571243092.db2.gz FSAORYACFUZTGG-UHFFFAOYSA-N 0 0 413.478 4.432 50 5 HIBARN CC(=O)c1sc(NC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])nc1-c1ccccc1 ZINC000009354689 571250694 /nfs/dbraw/zinc/25/06/94/571250694.db2.gz XKBYBZVBHDPBKH-UHFFFAOYSA-N 0 0 412.383 4.081 50 5 HIBARN O=C(COc1cc(F)ccc1[N+](=O)[O-])N1N=C(c2cccs2)C[C@H]1c1ccco1 ZINC000009509434 571264010 /nfs/dbraw/zinc/26/40/10/571264010.db2.gz AGWZAQCYYBRZGD-HNNXBMFYSA-N 0 0 415.402 4.145 50 5 HIBARN CCNc1ccc(C(=O)N(C)Cc2cc(Br)ccc2OC)cc1[N+](=O)[O-] ZINC000009579594 571270285 /nfs/dbraw/zinc/27/02/85/571270285.db2.gz ILPBDJZSNVTJJR-UHFFFAOYSA-N 0 0 422.279 4.070 50 5 HIBARN COc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nc(C)nc2sc(C)c(C)c21 ZINC000009819928 571286154 /nfs/dbraw/zinc/28/61/54/571286154.db2.gz PTSJTOJRFOAYDF-UHFFFAOYSA-N 0 0 418.500 4.264 50 5 HIBARN O=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(=O)n(Cc2cccc([N+](=O)[O-])c2)c1 ZINC000010187934 571296248 /nfs/dbraw/zinc/29/62/48/571296248.db2.gz QLPOAHXBMRWKBB-UHFFFAOYSA-N 0 0 417.343 4.076 50 5 HIBARN O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccc(=O)n(Cc2cccc(C(F)(F)F)c2)c1 ZINC000010187897 571296283 /nfs/dbraw/zinc/29/62/83/571296283.db2.gz JTMRCELWGWRPHX-UHFFFAOYSA-N 0 0 417.343 4.076 50 5 HIBARN O=[N+]([O-])c1cc(Cl)cc2c1O/C(=C/COc1ccc(F)cc1)[C@@H]2N1CCOCC1 ZINC000025329543 846960283 /nfs/dbraw/zinc/96/02/83/846960283.db2.gz KIHQGFCXSHFASF-AHKZXWKPSA-N 0 0 420.824 4.116 50 5 HIBARN C[C@@H](OC(=O)/C=C\c1cccc(C(F)(F)F)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000033691197 848137595 /nfs/dbraw/zinc/13/75/95/848137595.db2.gz IGLNQLTUYMGKDB-JLVNDZCYSA-N 0 0 408.332 4.197 50 5 HIBARN O=[N+]([O-])c1ccc(/C=C(/c2nc3ccccc3[nH]2)S(=O)(=O)c2ccccc2)cc1 ZINC000033666355 848137927 /nfs/dbraw/zinc/13/79/27/848137927.db2.gz APNMAVYYFVMGHF-ZHZULCJRSA-N 0 0 405.435 4.443 50 5 HIBARN O=[N+]([O-])c1cc(Cl)cc2c1O/C(=C\COc1ccc(F)cc1)[C@H]2N1CCOCC1 ZINC000035374789 848144184 /nfs/dbraw/zinc/14/41/84/848144184.db2.gz KIHQGFCXSHFASF-XSRIGTHUSA-N 0 0 420.824 4.116 50 5 HIBARN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N(CCCO)Cc1ccc(Cl)c(Cl)c1 ZINC000089780949 852544677 /nfs/dbraw/zinc/54/46/77/852544677.db2.gz JAFPCCOULJQXCQ-WEVVVXLNSA-N 0 0 409.269 4.326 50 5 HIBARN Cc1cc(NC(=O)COC(=O)/C=C\c2ccc(OC(F)F)cc2)c([N+](=O)[O-])cc1C ZINC000097658376 852645735 /nfs/dbraw/zinc/64/57/35/852645735.db2.gz FLHPTLCECCGWGX-YVMONPNESA-N 0 0 420.368 4.008 50 5 HIBARN CCOC(=O)CN1C=C(c2ccc3ccccc3n2)[C@@H](C[N+](=O)[O-])c2ccccc21 ZINC000001087906 132236826 /nfs/dbraw/zinc/23/68/26/132236826.db2.gz CZZFZPNFLWXKHZ-SFHVURJKSA-N 0 0 403.438 4.019 50 5 HIBARN O=C(NC(=S)Nc1ccc(N2CCCCC2)c(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000001174751 132240275 /nfs/dbraw/zinc/24/02/75/132240275.db2.gz LHEJNDDXHIPHTO-UHFFFAOYSA-N 0 0 418.906 4.365 50 5 HIBARN O=C(Nc1ccc2c(c1)CCCN2C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000001301093 132243851 /nfs/dbraw/zinc/24/38/51/132243851.db2.gz ILOKYTOBCFHZJX-UHFFFAOYSA-N 0 0 401.422 4.440 50 5 HIBARN Cc1cc(C)c(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3-n3cccc3)CC2)c(C)c1 ZINC000004307349 132274835 /nfs/dbraw/zinc/27/48/35/132274835.db2.gz PWTBBPJWHNZAJS-UHFFFAOYSA-N 0 0 418.497 4.273 50 5 HIBARN O=C(c1cccc2ccccc21)N1CCN(c2ccc([N+](=O)[O-])c(NC3CC3)c2)CC1 ZINC000004663065 132281487 /nfs/dbraw/zinc/28/14/87/132281487.db2.gz MXQIGPBFTPQUKJ-UHFFFAOYSA-N 0 0 416.481 4.285 50 5 HIBARN O=C(c1sc2ccccc2c1Cl)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000004663304 132281523 /nfs/dbraw/zinc/28/15/23/132281523.db2.gz KRGZPYONZRAXLJ-UHFFFAOYSA-N 0 0 401.875 4.425 50 5 HIBARN Nc1nc(N2CCC(Cc3ccccc3)CC2)nc(Nc2ccc(F)cc2)c1[N+](=O)[O-] ZINC000005025325 132298689 /nfs/dbraw/zinc/29/86/89/132298689.db2.gz HMQSNJSPLVJTLO-UHFFFAOYSA-N 0 0 422.464 4.309 50 5 HIBARN Cc1cc(=O)oc2cc(OC(=O)c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)ccc12 ZINC000006249531 132309968 /nfs/dbraw/zinc/30/99/68/132309968.db2.gz SYHOGOLFBOLAJH-UHFFFAOYSA-N 0 0 408.410 4.219 50 5 HIBARN CCN1CCN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)cc2Cl)CC1 ZINC000009851615 132343655 /nfs/dbraw/zinc/34/36/55/132343655.db2.gz GTIIOSAWUDEXSU-UHFFFAOYSA-N 0 0 423.300 4.296 50 5 HIBARN O=C(Nc1ccc(Cl)cc1)N1CCN(c2ccc([N+](=O)[O-])c3cnccc32)CC1 ZINC000010261613 132345674 /nfs/dbraw/zinc/34/56/74/132345674.db2.gz MPAUJOLIIBSUBV-UHFFFAOYSA-N 0 0 411.849 4.151 50 5 HIBARN Cc1cnc(NC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)s1 ZINC000010556304 132346204 /nfs/dbraw/zinc/34/62/04/132346204.db2.gz WZVWMUGNTDRQPT-UHFFFAOYSA-N 0 0 414.409 4.234 50 5 HIBARN Cc1csc(Sc2ccc(C(=O)NC[C@@H](CCO)CC(C)C)cc2[N+](=O)[O-])n1 ZINC000072311636 526398796 /nfs/dbraw/zinc/39/87/96/526398796.db2.gz JRVNJJWKXRTYMK-AWEZNQCLSA-N 0 0 423.560 4.285 50 5 HIBARN O=C(c1ccc(N2CCC[C@H]2c2ccc(Cl)cc2)c([N+](=O)[O-])c1)N1CCOCC1 ZINC000032829683 526700987 /nfs/dbraw/zinc/70/09/87/526700987.db2.gz NZAZVNOZZXTCBZ-SFHVURJKSA-N 0 0 415.877 4.062 50 5 HIBARN O=[N+]([O-])c1ccc(-c2ncn(C[C@@H](O)Cn3c4ccccc4c4ccccc43)n2)cc1 ZINC000032814848 527343287 /nfs/dbraw/zinc/34/32/87/527343287.db2.gz BCSCWNPTVGXZEG-GOSISDBHSA-N 0 0 413.437 4.022 50 5 HIBARN O=[N+]([O-])c1cccc(-c2nccc(/C=C/c3cc(Br)cs3)[n+]2[O-])c1 ZINC000044026788 527383193 /nfs/dbraw/zinc/38/31/93/527383193.db2.gz JUKQJYNIVUKTJQ-SNAWJCMRSA-N 0 0 404.245 4.285 50 5 HIBARN COc1ccc(-c2nc3oc4ccccc4c(=O)c3c(=O)n2Cc2ccccc2)cc1 ZINC000002208327 557327011 /nfs/dbraw/zinc/32/70/11/557327011.db2.gz GZKOIEKQDYUFCW-UHFFFAOYSA-N 0 0 410.429 4.227 50 5 HIBARN O=c1c2c3nc4ccccc4nc3n(Cc3ccccc3)c2ncn1Cc1ccccc1 ZINC000002312985 557336463 /nfs/dbraw/zinc/33/64/63/557336463.db2.gz AFDJIQKZZHUVLS-UHFFFAOYSA-N 0 0 417.472 4.391 50 5 HIBARN O=[N+]([O-])c1ccc(CSc2ncnc3c2nnn3Cc2ccccc2Cl)cc1 ZINC000004334940 558261898 /nfs/dbraw/zinc/26/18/98/558261898.db2.gz NSYSWONRJPPSCQ-UHFFFAOYSA-N 0 0 412.862 4.124 50 5 HIBARN CCCOc1ccccc1[C@@H](CC(C)C)Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000072307329 558767154 /nfs/dbraw/zinc/76/71/54/558767154.db2.gz QLICZPMWNDEYOJ-GOSISDBHSA-N 0 0 421.519 4.230 50 5 HIBARN CCCCN1C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@@H](c3cccc([N+](=O)[O-])c3)N2C1=O ZINC000022204872 558779185 /nfs/dbraw/zinc/77/91/85/558779185.db2.gz UQRIICVNLMEYOM-PZJWPPBQSA-N 0 0 418.453 4.155 50 5 HIBARN O=C1c2cc(Cl)c(Cl)cc2C(=O)N1c1ccc([N+](=O)[O-])cc1Br ZINC000013562168 558843568 /nfs/dbraw/zinc/84/35/68/558843568.db2.gz MASMSZUKJHYQQP-UHFFFAOYSA-N 0 0 416.014 4.465 50 5 HIBARN Cc1cc(C(=O)N2CCC[C@@H]2C(=O)Nc2cc(Cl)ccc2Cl)ccc1[N+](=O)[O-] ZINC000033133238 558888190 /nfs/dbraw/zinc/88/81/90/558888190.db2.gz AYNVQGBVMYZENZ-QGZVFWFLSA-N 0 0 422.268 4.453 50 5 HIBARN C[C@@]12C[C@@H](NC(=S)N1c1cccc(Br)c1)c1cc([N+](=O)[O-])ccc1O2 ZINC000072333238 558891879 /nfs/dbraw/zinc/89/18/79/558891879.db2.gz MMAGUTLRKGKJAD-RHSMWYFYSA-N 0 0 420.288 4.292 50 5 HIBARN CCOc1ccc(Nc2ccc(N3C(=O)[C@H]4CCCC[C@@H]4C3=O)cc2[N+](=O)[O-])cc1 ZINC000004683869 558894702 /nfs/dbraw/zinc/89/47/02/558894702.db2.gz KYVTVPBZRKAVCI-ROUUACIJSA-N 0 0 409.442 4.417 50 5 HIBARN CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1ccccc1[N+](=O)[O-] ZINC000023055408 558994278 /nfs/dbraw/zinc/99/42/78/558994278.db2.gz KCZFVORWUKGLMS-UHFFFAOYSA-N 0 0 400.822 4.351 50 5 HIBARN C[C@H](OC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)C(=O)Nc1ccc(N(C)C)cc1 ZINC000023081419 558999219 /nfs/dbraw/zinc/99/92/19/558999219.db2.gz GXPWHBFAIPHRLG-LBPRGKRZSA-N 0 0 413.455 4.060 50 5 HIBARN C[C@@H](OC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)C(=O)Nc1ccc(N(C)C)cc1 ZINC000023081417 558999223 /nfs/dbraw/zinc/99/92/23/558999223.db2.gz GXPWHBFAIPHRLG-GFCCVEGCSA-N 0 0 413.455 4.060 50 5 HIBARN COc1ccc(-c2cc(-c3ccc(OC)cc3)n(Cn3nc([N+](=O)[O-])cc3C)n2)cc1 ZINC000013960810 559012308 /nfs/dbraw/zinc/01/23/08/559012308.db2.gz KDYPYFLLZWBMDQ-UHFFFAOYSA-N 0 0 419.441 4.153 50 5 HIBARN Cc1ccc(S(=O)(=O)c2nc(NCc3ccc([N+](=O)[O-])cc3)sc2Cl)cc1 ZINC000023230232 559063607 /nfs/dbraw/zinc/06/36/07/559063607.db2.gz ZKIDHENIFLVXTQ-UHFFFAOYSA-N 0 0 423.903 4.458 50 5 HIBARN Cc1ccc(-c2nc(NCc3ccco3)n(C(=O)c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000004828363 559147355 /nfs/dbraw/zinc/14/73/55/559147355.db2.gz GNCQQXQVMVASMK-UHFFFAOYSA-N 0 0 403.398 4.055 50 5 HIBARN Cc1sc2nc(CN3CCOCC3)nc(Oc3cc(C)ccc3[N+](=O)[O-])c2c1C ZINC000023466421 559175548 /nfs/dbraw/zinc/17/55/48/559175548.db2.gz BWHSWQDFESVJCQ-UHFFFAOYSA-N 0 0 414.487 4.149 50 5 HIBARN O=C(NCCc1c[nH]c2ccccc12)c1ccc(N2CCCCCC2)c([N+](=O)[O-])c1 ZINC000004872003 559194531 /nfs/dbraw/zinc/19/45/31/559194531.db2.gz ZICTVMPUGJOMLM-UHFFFAOYSA-N 0 0 406.486 4.429 50 5 HIBARN COc1ccc(C(C)(C)C)cc1NC(=O)COC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000004917091 559204387 /nfs/dbraw/zinc/20/43/87/559204387.db2.gz GUJWGLFNCMYRCK-UHFFFAOYSA-N 0 0 420.849 4.350 50 5 HIBARN COc1ccc(C)cc1NC(=O)[C@@H](OC(=O)c1ccc([N+](=O)[O-])o1)c1ccccc1 ZINC000005020713 559229232 /nfs/dbraw/zinc/22/92/32/559229232.db2.gz PYFQZLLAZIAATP-IBGZPJMESA-N 0 0 410.382 4.042 50 5 aggregator HIBARN CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Oc1ccc2c3ccccc3c(=O)oc2c1C ZINC000005047217 559236793 /nfs/dbraw/zinc/23/67/93/559236793.db2.gz LETWEAXAGULODP-QGZVFWFLSA-N 0 0 411.454 4.463 50 5 HIBARN COc1ccc(-c2csc(NC(=O)/C=C/c3ccc([N+](=O)[O-])s3)n2)cc1OC ZINC000011847411 559261588 /nfs/dbraw/zinc/26/15/88/559261588.db2.gz OLENLPWRJQWHBH-QPJJXVBHSA-N 0 0 417.468 4.449 50 5 HIBARN Cc1cc(N2C(=O)c3oc4c5ccccc5ccc4c(=O)c3[C@@H]2c2ccncc2)no1 ZINC000005203353 560538282 /nfs/dbraw/zinc/53/82/82/560538282.db2.gz MMXIMAOFSZOPTP-FQEVSTJZSA-N 0 0 409.401 4.387 50 5 HIBARN CCCn1cnc2c(c3nc4ccccc4nc3n2-c2ccc(F)c(Cl)c2)c1=O ZINC000005249614 560549257 /nfs/dbraw/zinc/54/92/57/560549257.db2.gz QMDPRIHMDIFQII-UHFFFAOYSA-N 0 0 407.836 4.486 50 5 HIBARN CC1(C)c2cc([N+](=O)[O-])ccc2N(CCO)[C@@]12C=Cc1cc([N+](=O)[O-])ccc1S2 ZINC000005305250 560563285 /nfs/dbraw/zinc/56/32/85/560563285.db2.gz BNTINHWWMGSBLU-HXUWFJFHSA-N 0 0 413.455 4.108 50 5 HIBARN CCCCCn1c(=O)c2c(=O)c3ccccc3n(C)c2nc1-c1ccc(OC)cc1 ZINC000005346037 560570151 /nfs/dbraw/zinc/57/01/51/560570151.db2.gz LZZLQXJYLJEELX-UHFFFAOYSA-N 0 0 403.482 4.114 50 5 HIBARN Cc1ccccc1-c1nc2c(c(=O)c3ccccc3n2C)c(=O)n1CCc1ccccc1 ZINC000005425720 560585465 /nfs/dbraw/zinc/58/54/65/560585465.db2.gz XBZBDEKMAMCVFN-UHFFFAOYSA-N 0 0 421.500 4.467 50 5 HIBARN C[C@@H](Sc1nnc(Cc2ccccc2)o1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000005473312 560593420 /nfs/dbraw/zinc/59/34/20/560593420.db2.gz UBSZLPSCISVTIT-GFCCVEGCSA-N 0 0 409.427 4.472 50 5 HIBARN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(N2C(=O)c3ccccc3C2=O)cc1 ZINC000017200477 560704358 /nfs/dbraw/zinc/70/43/58/560704358.db2.gz GIXBAQGUALLEJY-UHFFFAOYSA-N 0 0 421.796 4.301 50 5 HIBARN O=C1[C@@H]2CCCC[C@H]2C(=O)N1c1ccc(NCCc2cccc(F)c2)c([N+](=O)[O-])c1 ZINC000102781041 560827384 /nfs/dbraw/zinc/82/73/84/560827384.db2.gz BYAUVGZKPBXTBC-QZTJIDSGSA-N 0 0 411.433 4.068 50 5 HIBARN CCOC(=O)c1cc(C(=O)N(C2=NC[C@H](C)S2)C2CCCCC2)cc([N+](=O)[O-])c1 ZINC000048325755 568438708 /nfs/dbraw/zinc/43/87/08/568438708.db2.gz SJOCOMGWJSHFIH-ZDUSSCGKSA-N 0 0 419.503 4.038 50 5 HIBARN CC(=O)c1ccc(NS(=O)(=O)c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)cc1 ZINC000000786466 568474538 /nfs/dbraw/zinc/47/45/38/568474538.db2.gz LPSIDFBXAWYXBP-UHFFFAOYSA-N 0 0 412.423 4.391 50 5 HIBARN Cc1ccc2sc(N3CCN(C(=O)/C=C/c4ccc([N+](=O)[O-])cc4)CC3)nc2c1C ZINC000012342245 568488662 /nfs/dbraw/zinc/48/86/62/568488662.db2.gz WNNXYKPGBDJBFL-UXBLZVDNSA-N 0 0 422.510 4.183 50 5 HIBARN CCOc1ccc(NC(=O)c2nn(C34CC5CC(CC(C5)C3)C4)cc2[N+](=O)[O-])cc1 ZINC000020177519 568592584 /nfs/dbraw/zinc/59/25/84/568592584.db2.gz XMTMJJMYNAZEON-UHFFFAOYSA-N 0 0 410.474 4.368 50 5 HIBARN O=C(c1ccccc1)N1C[C@H](COc2ccccc2)O[C@@H](c2ccccc2[N+](=O)[O-])O1 ZINC000020509061 568619771 /nfs/dbraw/zinc/61/97/71/568619771.db2.gz PDSYWWWKKGZJCL-AUSIDOKSSA-N 0 0 420.421 4.145 50 5 HIBARN COc1ccccc1/N=c1\oc2ccc([N+](=O)[O-])cc2cc1C(=O)Nc1nccs1 ZINC000020616587 568638036 /nfs/dbraw/zinc/63/80/36/568638036.db2.gz SMSYTCKUFKFOBS-QOCHGBHMSA-N 0 0 422.422 4.291 50 5 HIBARN Cc1ccc(CNc2nc(-c3ccco3)nn2C(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000020894610 568648625 /nfs/dbraw/zinc/64/86/25/568648625.db2.gz YNWSBSAGMMBWTB-UHFFFAOYSA-N 0 0 403.398 4.055 50 5 HIBARN O=c1c2ccc[nH]c-2c(Nc2cc([N+](=O)[O-])ccc2Cl)n1Cc1cccs1 ZINC000021105901 568667013 /nfs/dbraw/zinc/66/70/13/568667013.db2.gz PLOLSQWRSANOMQ-KRWDZBQOSA-N 0 0 400.847 4.471 50 5 HIBARN CCOc1ccc(-n2c(=O)c3ccc[nH]c-3c2Nc2ccc(C)cc2[N+](=O)[O-])cc1 ZINC000021105452 568667035 /nfs/dbraw/zinc/66/70/35/568667035.db2.gz YSARMBKINPJLQJ-OAQYLSRUSA-N 0 0 404.426 4.468 50 5 HIBARN Cc1ccccc1N1C(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc2S1(=O)=O ZINC000021117493 568669228 /nfs/dbraw/zinc/66/92/28/568669228.db2.gz VQCORVGLGFAAFD-UHFFFAOYSA-N 0 0 423.450 4.239 50 5 HIBARN Cc1ccc(-c2csc(NC(=O)c3ccc(-c4ncn(C)n4)cc3)n2)cc1[N+](=O)[O-] ZINC000096001637 568681339 /nfs/dbraw/zinc/68/13/39/568681339.db2.gz VGPRSBYFVIAODE-UHFFFAOYSA-N 0 0 420.454 4.075 50 5 HIBARN CC[C@@H](C)[C@@H](NC(=O)CCc1ccccc1)c1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000096277247 568715852 /nfs/dbraw/zinc/71/58/52/568715852.db2.gz AVGZELIGVWHKQP-FOIQADDNSA-N 0 0 408.458 4.481 50 5 HIBARN CC[C@H](C)[C@H](NC(=O)c1ccc(OC)cc1)c1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000096277351 568716101 /nfs/dbraw/zinc/71/61/01/568716101.db2.gz YKXVRPDDVVWGFK-UGSOOPFHSA-N 0 0 410.430 4.171 50 5 HIBARN O=C(C1CCC1)N(CCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)CCc1ccccc1 ZINC000096278092 568716362 /nfs/dbraw/zinc/71/63/62/568716362.db2.gz YYULQBLRMAPHAR-UHFFFAOYSA-N 0 0 420.469 4.059 50 5 HIBARN CC[C@@H](C)[C@H](NC(=O)c1ccc(OC)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000096278733 568716988 /nfs/dbraw/zinc/71/69/88/568716988.db2.gz QPIZZUCXPGNVBI-ACJLOTCBSA-N 0 0 410.430 4.171 50 5 HIBARN CC[C@H](C)[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nc(-c2ccc(OC)cc2)no1 ZINC000096293264 568721618 /nfs/dbraw/zinc/72/16/18/568721618.db2.gz GMDRZSYVRDLCDJ-UGSOOPFHSA-N 0 0 410.430 4.171 50 5 HIBARN O=C(Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000000950623 568757095 /nfs/dbraw/zinc/75/70/95/568757095.db2.gz PDLOCSLSAXLGIZ-UHFFFAOYSA-N 0 0 408.254 4.159 50 5 HIBARN O=C(COC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)Nc1cccc(C(F)(F)F)c1 ZINC000000955513 568757415 /nfs/dbraw/zinc/75/74/15/568757415.db2.gz WIUYOHXRYGLKDA-UHFFFAOYSA-N 0 0 402.712 4.063 50 5 HIBARN COC(=O)c1ccc(OC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000000959446 568758322 /nfs/dbraw/zinc/75/83/22/568758322.db2.gz FREFLAPDDPZQIE-UHFFFAOYSA-N 0 0 415.345 4.098 50 5 HIBARN O=C(Cc1ccc([N+](=O)[O-])cc1)OCC(=O)c1ccc(OCc2ccccc2)cc1 ZINC000000971806 568758884 /nfs/dbraw/zinc/75/88/84/568758884.db2.gz XDMFKVDRKCTKQX-UHFFFAOYSA-N 0 0 405.406 4.142 50 5 HIBARN COc1ccc(C(=O)Nc2cc(-c3nc4ncccc4o3)ccc2C)cc1[N+](=O)[O-] ZINC000000989970 568760351 /nfs/dbraw/zinc/76/03/51/568760351.db2.gz YTWBWGZMNODDTF-UHFFFAOYSA-N 0 0 404.382 4.367 50 5 HIBARN Cc1cc(-c2nc(-c3ccc(I)cc3)no2)ccc1[N+](=O)[O-] ZINC000001060114 568765804 /nfs/dbraw/zinc/76/58/04/568765804.db2.gz ZJUBYJOLBXOXJG-UHFFFAOYSA-N 0 0 407.167 4.225 50 5 HIBARN Cc1cccc(C(=O)N[C@H](Oc2cccc([N+](=O)[O-])c2)C(Cl)(Cl)Cl)c1 ZINC000001107780 568770107 /nfs/dbraw/zinc/77/01/07/568770107.db2.gz IYKMFWKBXKGTOM-OAHLLOKOSA-N 0 0 403.649 4.408 50 5 HIBARN O=C(OCc1ccccc1)[C@@H]1CCCN1c1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000001101604 568770110 /nfs/dbraw/zinc/77/01/10/568770110.db2.gz VWJOFXYLRVHASM-IBGZPJMESA-N 0 0 409.467 4.431 50 5 HIBARN Cc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000001110312 568770322 /nfs/dbraw/zinc/77/03/22/568770322.db2.gz ZPHJORCZYCTRAW-UHFFFAOYSA-N 0 0 402.410 4.464 50 5 HIBARN Cc1ccc(C)c(NC(=O)C2=C(C)NC(=O)N[C@H]2c2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000001147688 568772480 /nfs/dbraw/zinc/77/24/80/568772480.db2.gz SUKOUNPRKFNTJC-SFHVURJKSA-N 0 0 414.849 4.132 50 5 HIBARN CO[C@@](F)(C(=O)Nc1cc(Oc2ccc(F)cc2)cc([N+](=O)[O-])c1)C(F)(F)F ZINC000002491785 568775841 /nfs/dbraw/zinc/77/58/41/568775841.db2.gz ZRWHEVBODAPQMW-HNNXBMFYSA-N 0 0 406.263 4.339 50 5 HIBARN O=C(c1ccc([N+](=O)[O-])cc1)N1CC(=O)Nc2ccc(F)cc2[C@@H]1c1ccc(F)cc1 ZINC000002685927 568800662 /nfs/dbraw/zinc/80/06/62/568800662.db2.gz LIKKPYSJZJCAJV-NRFANRHFSA-N 0 0 423.375 4.057 50 5 HIBARN O=C(Nc1ccc(OCC(F)(F)C(F)F)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000002690567 568801147 /nfs/dbraw/zinc/80/11/47/568801147.db2.gz NYXDJTJJIXQAFY-UHFFFAOYSA-N 0 0 417.271 4.035 50 5 HIBARN O=C(Nc1cc([N+](=O)[O-])ccc1F)N[C@@]1(C(F)(F)F)Oc2ccc(Cl)cc2O1 ZINC000002725355 568802856 /nfs/dbraw/zinc/80/28/56/568802856.db2.gz ZMMORUZCRFXZCC-HNNXBMFYSA-N 0 0 421.690 4.196 50 5 HIBARN O=C(CCS(=O)(=O)c1ccc2ccccc2c1)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000002731093 568804787 /nfs/dbraw/zinc/80/47/87/568804787.db2.gz VGQHHNBXUTWMAK-UHFFFAOYSA-N 0 0 418.858 4.204 50 5 HIBARN Cc1nn(Cc2ccc(C(=O)Nc3nc4ccccc4s3)cc2)c(C)c1[N+](=O)[O-] ZINC000002755907 568806635 /nfs/dbraw/zinc/80/66/35/568806635.db2.gz BOXOUHWQRIVXCO-UHFFFAOYSA-N 0 0 407.455 4.318 50 5 HIBARN Cc1c(Cl)c([N+](=O)[O-])nn1Cc1ccc(C(=O)Nc2ccc3c(c2)CCC3)o1 ZINC000002764167 568807193 /nfs/dbraw/zinc/80/71/93/568807193.db2.gz GPFINTQTURBHOI-UHFFFAOYSA-N 0 0 400.822 4.135 50 5 HIBARN Cc1c(Br)c([N+](=O)[O-])nn1[C@H](C)C(=O)Nc1ccc(C)c(Cl)c1 ZINC000002879323 568813980 /nfs/dbraw/zinc/81/39/80/568813980.db2.gz XRFABGQXUQUZFB-SECBINFHSA-N 0 0 401.648 4.024 50 5 HIBARN COc1ccc(C(=O)COc2ccc(-c3cnc4ccccc4n3)cc2)cc1[N+](=O)[O-] ZINC000002881155 568814191 /nfs/dbraw/zinc/81/41/91/568814191.db2.gz QGRRBNRTMKMSBV-UHFFFAOYSA-N 0 0 415.405 4.475 50 5 HIBARN O=C(Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000001170455 568818823 /nfs/dbraw/zinc/81/88/23/568818823.db2.gz LQEGXAPOPLGSBN-UHFFFAOYSA-N 0 0 408.254 4.159 50 5 HIBARN Cc1ccc(C(=O)COC(=O)c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1 ZINC000002942749 568819202 /nfs/dbraw/zinc/81/92/02/568819202.db2.gz MYVIOPJODANRSA-UHFFFAOYSA-N 0 0 418.405 4.195 50 5 HIBARN Cc1ccc(S(=O)(=O)NC[C@@H](Oc2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1 ZINC000001203219 568823588 /nfs/dbraw/zinc/82/35/88/568823588.db2.gz VUJSTRXEYHMUMK-OAQYLSRUSA-N 0 0 412.467 4.002 50 5 HIBARN Cc1cc(N2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)c([N+](=O)[O-])cc1F ZINC000063121413 568824867 /nfs/dbraw/zinc/82/48/67/568824867.db2.gz NJJJSRINLYPEHF-UHFFFAOYSA-N 0 0 411.355 4.024 50 5 HIBARN CCCOc1ccc(NC(=O)CCn2nc(C)c([N+](=O)[O-])c2C)cc1OCCC ZINC000057265390 568825251 /nfs/dbraw/zinc/82/52/51/568825251.db2.gz OXLHYJGQNKEVFF-UHFFFAOYSA-N 0 0 404.467 4.015 50 5 HIBARN COc1ccc(NC(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)NC(=O)c2ccccc2)cc1 ZINC000001213570 568831523 /nfs/dbraw/zinc/83/15/23/568831523.db2.gz TUTHPOTZTNWOJU-QNGOZBTKSA-N 0 0 417.421 4.013 50 5 HIBARN O=C(Sc1nnc(-c2cccc(Br)c2)o1)c1cccc([N+](=O)[O-])c1 ZINC000002987219 568833094 /nfs/dbraw/zinc/83/30/94/568833094.db2.gz MADVFXPLVNRVPL-UHFFFAOYSA-N 0 0 406.217 4.340 50 5 HIBARN O=C(COc1ccc2[nH]c3ccccc3c(=O)c2c1)Nc1ccccc1OC(F)F ZINC000012522145 568842071 /nfs/dbraw/zinc/84/20/71/568842071.db2.gz FBGCTUXHHRMIHG-UHFFFAOYSA-N 0 0 410.376 4.300 50 5 HIBARN Cc1nn(S(=O)(=O)c2ccc(Cl)cc2)c(C)c1Sc1ccc([N+](=O)[O-])cc1 ZINC000003074398 568853675 /nfs/dbraw/zinc/85/36/75/568853675.db2.gz VCRYKKJSLYCBHY-UHFFFAOYSA-N 0 0 423.903 4.450 50 5 aggregator HIBARN O=C(Nc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1)c1ccccc1 ZINC000003169702 568858786 /nfs/dbraw/zinc/85/87/86/568858786.db2.gz ZRZYWECEFILDCP-UHFFFAOYSA-N 0 0 406.354 4.008 50 5 HIBARN Cc1ccc(N2C(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3C2=O)cc1 ZINC000003196148 568861096 /nfs/dbraw/zinc/86/10/96/568861096.db2.gz SIYOCCLKGHICOK-UHFFFAOYSA-N 0 0 419.349 4.404 50 5 HIBARN COc1ccc(NCC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1Cl ZINC000003261696 568869263 /nfs/dbraw/zinc/86/92/63/568869263.db2.gz KHJXHADREQUZDP-UHFFFAOYSA-N 0 0 418.862 4.431 50 5 HIBARN COC(=O)c1cc(-c2oc3ccc(Br)cc3c(=O)c2C)cc([N+](=O)[O-])c1 ZINC000003294670 568874575 /nfs/dbraw/zinc/87/45/75/568874575.db2.gz AXSCHUSJTDROGG-UHFFFAOYSA-N 0 0 418.199 4.226 50 5 HIBARN O=C(OCCOc1ccc(Br)cc1)c1ccc([N+](=O)[O-])cc1Cl ZINC000003297301 568875280 /nfs/dbraw/zinc/87/52/80/568875280.db2.gz JYWFEFAYPPXNFY-UHFFFAOYSA-N 0 0 400.612 4.247 50 5 HIBARN O=C(Nc1ccccc1I)c1ccc([N+](=O)[O-])cc1Cl ZINC000001230706 568877340 /nfs/dbraw/zinc/87/73/40/568877340.db2.gz HLDANYSTSLNMCC-UHFFFAOYSA-N 0 0 402.575 4.105 50 5 HIBARN C[C@@H](Oc1ncnc2cc([N+](=O)[O-])ccc21)C(=O)Nc1ccc(Cl)cc1Cl ZINC000003312790 568878739 /nfs/dbraw/zinc/87/87/39/568878739.db2.gz TVCDLENQGIHIGC-SECBINFHSA-N 0 0 407.213 4.251 50 5 HIBARN COc1ccc(-c2csc(NC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)n2)cc1OC ZINC000004078848 568882898 /nfs/dbraw/zinc/88/28/98/568882898.db2.gz DCWXPQPDSJRTDY-BJMVGYQFSA-N 0 0 411.439 4.387 50 5 HIBARN COc1ccc2oc(C(=O)OCC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)c(C)c2c1 ZINC000003360239 568887545 /nfs/dbraw/zinc/88/75/45/568887545.db2.gz XTVIUHOZDXVNMJ-UHFFFAOYSA-N 0 0 418.789 4.107 50 5 HIBARN CC(C)COC[C@@H](NC(=O)c1ccc(Br)c([N+](=O)[O-])c1)c1ccco1 ZINC000058210961 568900738 /nfs/dbraw/zinc/90/07/38/568900738.db2.gz AQKCLAYSWAMWNM-CQSZACIVSA-N 0 0 411.252 4.094 50 5 HIBARN COc1ccc([C@@H]2CC(=O)c3ccccc3O2)cc1Cn1nc(C)c([N+](=O)[O-])c1C ZINC000001301114 568913414 /nfs/dbraw/zinc/91/34/14/568913414.db2.gz SXDOXEBQYNAKDJ-NRFANRHFSA-N 0 0 407.426 4.172 50 5 HIBARN O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)cc1N[C@@H]1CCCN(c2ncccn2)C1 ZINC000058407121 568916507 /nfs/dbraw/zinc/91/65/07/568916507.db2.gz LGHWFWOZQPHGHG-SNVBAGLBSA-N 0 0 401.776 4.138 50 5 HIBARN CC(C)(C)NS(=O)(=O)c1ccc(N2CCC[C@H]2c2cccc(F)c2)c([N+](=O)[O-])c1 ZINC000058407138 568916532 /nfs/dbraw/zinc/91/65/32/568916532.db2.gz KOSWMNZBBHZPDB-KRWDZBQOSA-N 0 0 421.494 4.152 50 5 HIBARN CCOC(=O)c1nn(-c2ccc([N+](=O)[O-])cc2)cc1OCc1cccc2cccnc21 ZINC000058907887 568932803 /nfs/dbraw/zinc/93/28/03/568932803.db2.gz XNGXFYUYKXDWTF-UHFFFAOYSA-N 0 0 418.409 4.084 50 5 HIBARN COc1ccc(OCCCC(=O)Nc2ccc([N+](=O)[O-])cc2Br)cc1 ZINC000004056106 568936349 /nfs/dbraw/zinc/93/63/49/568936349.db2.gz UOYXACYXHDZJTF-UHFFFAOYSA-N 0 0 409.236 4.164 50 5 HIBARN COc1ccc([C@H]2CCCCCN2CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc1 ZINC000012762404 568946644 /nfs/dbraw/zinc/94/66/44/568946644.db2.gz FFDPVYMMSNXIHG-HXUWFJFHSA-N 0 0 413.474 4.168 50 5 HIBARN COc1cc(C(=O)Nc2ccc3c(c2)-c2ccccc2C3)c([N+](=O)[O-])c(OC)c1OC ZINC000012776703 568955187 /nfs/dbraw/zinc/95/51/87/568955187.db2.gz CFDVRAXGBRYIIF-UHFFFAOYSA-N 0 0 420.421 4.444 50 5 HIBARN CCn1ncc2c1nc(-c1cccs1)cc2C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000012778159 568956006 /nfs/dbraw/zinc/95/60/06/568956006.db2.gz OXIBWFRUNQZCJI-UHFFFAOYSA-N 0 0 411.418 4.479 50 5 HIBARN CN1CCN(c2ccc(C(=O)Nc3ccccc3-c3ccccc3)cc2[N+](=O)[O-])CC1 ZINC000015643455 568957364 /nfs/dbraw/zinc/95/73/64/568957364.db2.gz VPMGJJBFPKCLFG-UHFFFAOYSA-N 0 0 416.481 4.266 50 5 HIBARN O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccc2[nH]c3c(c2c1)CCCC3 ZINC000007978688 568963418 /nfs/dbraw/zinc/96/34/18/568963418.db2.gz LZYBKNBFGDBITQ-UHFFFAOYSA-N 0 0 408.410 4.178 50 5 HIBARN Cc1ccc(NC(=O)CSc2nnc(-c3cccc([N+](=O)[O-])c3)n2C)cc1Cl ZINC000001442512 568968943 /nfs/dbraw/zinc/96/89/43/568968943.db2.gz VOAPWNPFKKSBEA-UHFFFAOYSA-N 0 0 417.878 4.083 50 5 HIBARN Cc1ccc(C(=O)Nc2ccc(-c3nc4ccccc4c(=O)o3)cc2)cc1[N+](=O)[O-] ZINC000008187483 568979979 /nfs/dbraw/zinc/97/99/79/568979979.db2.gz ZBINELFPQWZYFZ-UHFFFAOYSA-N 0 0 401.378 4.324 50 5 HIBARN O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1NCc1cccc(Cl)c1 ZINC000006045173 568980115 /nfs/dbraw/zinc/98/01/15/568980115.db2.gz HXENWJBGFARIDJ-UHFFFAOYSA-N 0 0 409.895 4.035 50 5 aggregator HIBARN O=C(Nc1cccc([N+](=O)[O-])c1)C1CCN(C(=O)c2cccc3ccccc32)CC1 ZINC000012813004 568986876 /nfs/dbraw/zinc/98/68/76/568986876.db2.gz KCQDCFMOUYGDOS-UHFFFAOYSA-N 0 0 403.438 4.239 50 5 HIBARN NS(=O)(=O)c1ccc(SC(c2ccccc2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000006083070 568996815 /nfs/dbraw/zinc/99/68/15/568996815.db2.gz CHBMRVDNQZGUMR-UHFFFAOYSA-N 0 0 400.481 4.124 50 5 HIBARN COc1ccc(O[C@H](NC(=O)c2cccc([N+](=O)[O-])c2)C(Cl)(Cl)Cl)cc1 ZINC000001480462 569000917 /nfs/dbraw/zinc/00/09/17/569000917.db2.gz ILIMFEMKEDHOHQ-HNNXBMFYSA-N 0 0 419.648 4.109 50 5 HIBARN Cc1cc(-c2ccc(/C=c3\sc4nc5ccccc5n4c3=O)o2)c([N+](=O)[O-])cc1C ZINC000008439182 569003021 /nfs/dbraw/zinc/00/30/21/569003021.db2.gz DXYOEKGMKMUVMT-JAIQZWGSSA-N 0 0 417.446 4.242 50 5 HIBARN CCOc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2-n2cccn2)cc1[N+](=O)[O-] ZINC000012853360 569010756 /nfs/dbraw/zinc/01/07/56/569010756.db2.gz AAMWCWMENJXTGT-UHFFFAOYSA-N 0 0 420.347 4.450 50 5 HIBARN Cc1cc2nn(-c3ccc(F)cc3)nc2cc1NC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000016283175 569030357 /nfs/dbraw/zinc/03/03/57/569030357.db2.gz UYZZEBYMBJHRIU-UHFFFAOYSA-N 0 0 405.389 4.337 50 5 HIBARN O=C(c1ccccc1)c1ccc(Sc2nnc(N3CCCC3)s2)c([N+](=O)[O-])c1 ZINC000053580589 569031670 /nfs/dbraw/zinc/03/16/70/569031670.db2.gz CVNYLQZWNMQQNY-UHFFFAOYSA-N 0 0 412.496 4.429 50 5 HIBARN O=C(NC(=S)Nc1cccnc1Cl)c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000016450625 569051415 /nfs/dbraw/zinc/05/14/15/569051415.db2.gz MPOPZFYAURIODU-UHFFFAOYSA-N 0 0 402.819 4.030 50 5 HIBARN O=C1OC(c2ccco2)=N/C1=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000002069208 569073990 /nfs/dbraw/zinc/07/39/90/569073990.db2.gz HZJWPVWIMHFPQX-XNTDXEJSSA-N 0 0 421.321 4.233 50 5 HIBARN CCOc1cc(CN2CCCn3cccc3[C@@H]2c2ccc([N+](=O)[O-])cc2)ccc1O ZINC000036347785 569144156 /nfs/dbraw/zinc/14/41/56/569144156.db2.gz SYJAFFKGHVIODX-QHCPKHFHSA-N 0 0 407.470 4.496 50 5 HIBARN CCOc1cc(CN2CCCn3cccc3[C@H]2c2ccc([N+](=O)[O-])cc2)ccc1O ZINC000036347786 569144303 /nfs/dbraw/zinc/14/43/03/569144303.db2.gz SYJAFFKGHVIODX-HSZRJFAPSA-N 0 0 407.470 4.496 50 5 HIBARN O=[N+]([O-])c1ccc(CNc2nc3ccccc3n2CCCn2ccnc2)cc1Cl ZINC000170607194 569244476 /nfs/dbraw/zinc/24/44/76/569244476.db2.gz LRBJFYFBTUZVMU-UHFFFAOYSA-N 0 0 410.865 4.497 50 5 HIBARN CCCOC(=O)c1c(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)sc2c1CCC2 ZINC000002089603 569277916 /nfs/dbraw/zinc/27/79/16/569277916.db2.gz JGZULIHWHNHUHH-DHZHZOJOSA-N 0 0 400.456 4.364 50 5 HIBARN O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccc(Oc2ccccc2)cc1 ZINC000007670079 569299926 /nfs/dbraw/zinc/29/99/26/569299926.db2.gz GGECOTCTCKUZCP-UHFFFAOYSA-N 0 0 405.410 4.146 50 5 HIBARN COC[C@@H](C)Nc1nc(-c2ccc([N+](=O)[O-])cc2)c(C(=O)Nc2ccccc2)s1 ZINC000007763381 569307754 /nfs/dbraw/zinc/30/77/54/569307754.db2.gz OVMMNJOYAFMSJK-CYBMUJFWSA-N 0 0 412.471 4.417 50 5 HIBARN COc1ccc2c(c1)c1nc3ccccc3nc1n2CCn1c2ccccc2oc1=O ZINC000002242209 569323610 /nfs/dbraw/zinc/32/36/10/569323610.db2.gz RGLOBPGMAKTDCR-UHFFFAOYSA-N 0 0 410.433 4.354 50 5 HIBARN COc1ccc(-c2csc(NC(=O)c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])n2)cc1C ZINC000027468359 569324777 /nfs/dbraw/zinc/32/47/77/569324777.db2.gz SMAAXAZHCJXXHD-UHFFFAOYSA-N 0 0 414.399 4.196 50 5 HIBARN O=[N+]([O-])c1ccc(Br)c(Nc2cc(Cl)c3nonc3c2[N+](=O)[O-])c1 ZINC000027496631 569325226 /nfs/dbraw/zinc/32/52/26/569325226.db2.gz WEWFLHYVTYSMGT-UHFFFAOYSA-N 0 0 414.559 4.199 50 5 HIBARN O=C([C@H]1CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1)N1CCC(Cc2ccccc2)CC1 ZINC000054991814 569374518 /nfs/dbraw/zinc/37/45/18/569374518.db2.gz RRNFHZCXJJIUDR-QHCPKHFHSA-N 0 0 421.541 4.288 50 5 HIBARN CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)nnc1-c1ccc(Cl)cc1 ZINC000009072482 569391418 /nfs/dbraw/zinc/39/14/18/569391418.db2.gz ZIHJJIKRDHNXMA-UHFFFAOYSA-N 0 0 417.878 4.257 50 5 HIBARN CCn1c(SCC(=O)c2cccc([N+](=O)[O-])c2)nnc1[C@H](C)Oc1ccccc1 ZINC000009426761 569392649 /nfs/dbraw/zinc/39/26/49/569392649.db2.gz CNVDVOKYEFVJLW-AWEZNQCLSA-N 0 0 412.471 4.321 50 5 HIBARN Cc1[nH]nc2c1[C@H](c1ccc([N+](=O)[O-])cc1)N(c1ccc(Br)cc1)C2=O ZINC000009451726 569392938 /nfs/dbraw/zinc/39/29/38/569392938.db2.gz SZALEHCRHOBTDR-KRWDZBQOSA-N 0 0 413.231 4.139 50 5 HIBARN O=[N+]([O-])c1cc(S(=O)(=O)N2CCCC2)ccc1Oc1cccc(Cl)c1Cl ZINC000012634625 569402312 /nfs/dbraw/zinc/40/23/12/569402312.db2.gz CLBGKXSMTADSNW-UHFFFAOYSA-N 0 0 417.270 4.478 50 5 HIBARN CC(C)[C@@H](CO)N(Cc1ccccc1)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000079019606 569424246 /nfs/dbraw/zinc/42/42/46/569424246.db2.gz UGIAEGIKAGVCOL-QGZVFWFLSA-N 0 0 423.416 4.247 50 5 HIBARN O=C(Cc1ccccc1[N+](=O)[O-])Nc1cc(Br)ccc1Br ZINC000040074195 571154317 /nfs/dbraw/zinc/15/43/17/571154317.db2.gz FBSLCVASBGJTDQ-UHFFFAOYSA-N 0 0 414.053 4.301 50 5 HIBARN O=C(CSc1nnc2c(n1)-c1cccc3cccc-2c13)Nc1ccc([N+](=O)[O-])cc1 ZINC000008922384 571159005 /nfs/dbraw/zinc/15/90/05/571159005.db2.gz APUNOANOGCOUPC-UHFFFAOYSA-N 0 0 415.434 4.311 50 5 HIBARN COCCn1c(=O)c2ccc(Cl)cc2nc1SCc1cccc([N+](=O)[O-])c1C ZINC000040122914 571178768 /nfs/dbraw/zinc/17/87/68/571178768.db2.gz GTWFPOWRAVUPMU-UHFFFAOYSA-N 0 0 419.890 4.205 50 5 HIBARN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCC(=Cc3cccc(F)c3)CC2)c1C ZINC000040135564 571188677 /nfs/dbraw/zinc/18/86/77/571188677.db2.gz RTSCUKMGRIUZAO-UHFFFAOYSA-N 0 0 404.463 4.219 50 5 HIBARN O=c1c2cc([N+](=O)[O-])ccc2ncn1Cc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000009124950 571226156 /nfs/dbraw/zinc/22/61/56/571226156.db2.gz BCOQVBOFFUXJNU-UHFFFAOYSA-N 0 0 423.432 4.206 50 5 HIBARN O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCN=C1SCc1ccc(C(F)(F)F)cc1 ZINC000009381089 571253863 /nfs/dbraw/zinc/25/38/63/571253863.db2.gz GRDATPIZGIQPKI-UHFFFAOYSA-N 0 0 423.416 4.288 50 5 HIBARN CCOC(=O)c1c(-c2ccco2)csc1NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000009509368 571264025 /nfs/dbraw/zinc/26/40/25/571264025.db2.gz UUJTXTMANIDCMT-UHFFFAOYSA-N 0 0 416.411 4.111 50 5 HIBARN O=C(COc1cc(F)ccc1[N+](=O)[O-])N1N=C(c2cccs2)C[C@@H]1c1ccco1 ZINC000009509435 571264048 /nfs/dbraw/zinc/26/40/48/571264048.db2.gz AGWZAQCYYBRZGD-OAHLLOKOSA-N 0 0 415.402 4.145 50 5 HIBARN CCc1ccccc1NC(=O)COc1cc(O)c2c(c1)oc1ccc(OC)cc1c2=O ZINC000009547188 571267813 /nfs/dbraw/zinc/26/78/13/571267813.db2.gz VJZARVCETBGUBC-UHFFFAOYSA-N 0 0 419.433 4.240 50 5 HIBARN O=C(Cn1c2ccccc2nc1-c1cscn1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000009612382 571273767 /nfs/dbraw/zinc/27/37/67/571273767.db2.gz RVYCQQKLOFBSMV-UHFFFAOYSA-N 0 0 413.846 4.360 50 5 HIBARN CC1=C(C(=O)Nc2ccccc2Cl)[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)NC(=O)N1 ZINC000009764062 571284907 /nfs/dbraw/zinc/28/49/07/571284907.db2.gz KBQILLCFORCZLF-INIZCTEOSA-N 0 0 421.240 4.168 50 5 HIBARN COc1cccc2sc(N(Cc3cccnc3)C(=O)c3cccc([N+](=O)[O-])c3)nc21 ZINC000009829700 571287400 /nfs/dbraw/zinc/28/74/00/571287400.db2.gz FZQNLCOGPHBSFN-UHFFFAOYSA-N 0 0 420.450 4.455 50 5 HIBARN COc1cc(CCC2CCN(C(=O)Nc3cccc([N+](=O)[O-])c3)CC2)cc(OC)c1 ZINC000010407303 571302063 /nfs/dbraw/zinc/30/20/63/571302063.db2.gz RPKPBNFZJGDTCQ-UHFFFAOYSA-N 0 0 413.474 4.489 50 5 HIBARN O=C(NC(=S)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccc(Cl)cc1 ZINC000017014636 571306641 /nfs/dbraw/zinc/30/66/41/571306641.db2.gz OOZCPVKOMDMEMA-UHFFFAOYSA-N 0 0 418.887 4.499 50 5 HIBARN O=[N+]([O-])c1ccc(/C=C(\c2nc3ccccc3[nH]2)S(=O)(=O)c2ccccc2)cc1 ZINC000005695970 845136628 /nfs/dbraw/zinc/13/66/28/845136628.db2.gz APNMAVYYFVMGHF-XSFVSMFZSA-N 0 0 405.435 4.443 50 5 HIBARN O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)N1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000012739042 845887659 /nfs/dbraw/zinc/88/76/59/845887659.db2.gz CASJCGARNGLWHU-SOGBHIHOSA-N 0 0 413.861 4.139 50 5 HIBARN O=[N+]([O-])c1ccc(N2N=N[C@@H]3CCC/C(=C\c4ccccc4)[C@]32N2CCOCC2)cc1 ZINC000025266318 846950231 /nfs/dbraw/zinc/95/02/31/846950231.db2.gz PJYHCFFTAYWCEB-PEODWTRQSA-N 0 0 419.485 4.447 50 5 HIBARN C[C@H](OC(=O)/C=C\c1ccccc1[N+](=O)[O-])C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000033535841 848137153 /nfs/dbraw/zinc/13/71/53/848137153.db2.gz FCOBSIRLGUEVOX-PRDAAYKISA-N 0 0 408.332 4.197 50 5 HIBARN COc1cccc([C@@H](OC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)C(C)(C)C)c1 ZINC000084169178 852544491 /nfs/dbraw/zinc/54/44/91/852544491.db2.gz DINAMBKQRAQYBM-LJQANCHMSA-N 0 0 410.430 4.128 50 5 HIBARN O=C(/C=C\c1ccc(Cl)c([N+](=O)[O-])c1)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000096891972 852557093 /nfs/dbraw/zinc/55/70/93/852557093.db2.gz BECCVYCOYVQONI-CLFYSBASSA-N 0 0 413.861 4.139 50 5 HIBARN CC(C)(C)c1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(NC4CC4)c3)CC2)cc1 ZINC000004575242 132278905 /nfs/dbraw/zinc/27/89/05/132278905.db2.gz JJKWCVZGPPUHIX-UHFFFAOYSA-N 0 0 422.529 4.429 50 5 HIBARN O=C(Nc1ccc(Br)cc1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000008205968 132328810 /nfs/dbraw/zinc/32/88/10/132328810.db2.gz HCENZIWQURWTMT-UHFFFAOYSA-N 0 0 404.264 4.212 50 5 HIBARN Nc1nc(Nc2ccccc2)nc(N2CCC(Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000009287532 132338201 /nfs/dbraw/zinc/33/82/01/132338201.db2.gz JTYVGJVDBQLATM-UHFFFAOYSA-N 0 0 404.474 4.170 50 5 HIBARN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000010646029 132346244 /nfs/dbraw/zinc/34/62/44/132346244.db2.gz MDCRFGJJJUYYQA-CYBMUJFWSA-N 0 0 409.412 4.316 50 5 HIBARN O=C(c1ccc2c(c1)OCCO2)C1CCN(c2ccc([N+](=O)[O-])c3cccnc32)CC1 ZINC000012523135 132361747 /nfs/dbraw/zinc/36/17/47/132361747.db2.gz UXCBJNDCOUQIRJ-UHFFFAOYSA-N 0 0 419.437 4.014 50 5 HIBARN CN(Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)Cc1ccccc1Br ZINC000032825174 523543557 /nfs/dbraw/zinc/54/35/57/523543557.db2.gz ORJFNMOBELQQLV-UHFFFAOYSA-N 0 0 403.236 4.039 50 5 HIBARN O=C(c1cc([N+](=O)[O-])ccc1N1CCCC1)N1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000032935996 526628684 /nfs/dbraw/zinc/62/86/84/526628684.db2.gz FWMQXMUDJMUOTF-UHFFFAOYSA-N 0 0 417.469 4.001 50 5 HIBARN Cc1nc(NC(=O)c2ccccc2[N+](=O)[O-])sc1-c1nc(-c2cccs2)no1 ZINC000031814463 526993865 /nfs/dbraw/zinc/99/38/65/526993865.db2.gz QZSFNDBQAZXFNM-UHFFFAOYSA-N 0 0 413.440 4.391 50 5 HIBARN Cc1nc(NC(=O)c2ccccc2[N+](=O)[O-])sc1-c1nc(-c2ccccc2)no1 ZINC000031816765 526994388 /nfs/dbraw/zinc/99/43/88/526994388.db2.gz BYVGFKVOQHKMDN-UHFFFAOYSA-N 0 0 407.411 4.329 50 5 HIBARN C[C@H]1CCc2c(sc3nc4c5ccccc5c(NC[C@H]5CCCO5)nn4c(=O)c23)C1 ZINC000000632160 557027245 /nfs/dbraw/zinc/02/72/45/557027245.db2.gz CXGZYKSYHLXTMN-UONOGXRCSA-N 0 0 420.538 4.173 50 5 HIBARN O=C1N[C@@H](c2cccc([N+](=O)[O-])c2)Nc2sc3c(c21)CCN(Cc1ccccc1)C3 ZINC000022633527 557269352 /nfs/dbraw/zinc/26/93/52/557269352.db2.gz WDCOULCZNMYDQR-HXUWFJFHSA-N 0 0 420.494 4.069 50 5 HIBARN CCOC(=O)c1cnc2c3ccccc3ccc2c1NCCOC(=O)c1cccnc1 ZINC000005958540 557682716 /nfs/dbraw/zinc/68/27/16/557682716.db2.gz NPIPAYZMWFKLCB-UHFFFAOYSA-N 0 0 415.449 4.229 50 5 HIBARN CCOCCCn1cnc2c(c3nc4ccccc4nc3n2-c2ccc(C)cc2)c1=O ZINC000002407589 557705447 /nfs/dbraw/zinc/70/54/47/557705447.db2.gz SQRALXIEVMYBLG-UHFFFAOYSA-N 0 0 413.481 4.019 50 5 HIBARN CCOc1ccc2c(c1)c(=O)c1cccnc1n2CC(=O)Nc1cccc(C)c1C ZINC000006901759 557729465 /nfs/dbraw/zinc/72/94/65/557729465.db2.gz CGYVKYMBWXJBDZ-UHFFFAOYSA-N 0 0 401.466 4.204 50 5 HIBARN CC[C@H]1CCc2c(sc3c2C(=O)N[C@H](c2cc4c(cc2[N+](=O)[O-])OCO4)N3)C1 ZINC000004545471 558664709 /nfs/dbraw/zinc/66/47/09/558664709.db2.gz XVOCMLCDRHCDMS-XYZCENFISA-N 0 0 401.444 4.329 50 5 HIBARN Cc1ccc(NC(=O)C2=C(C)NC(=O)N[C@H]2c2ccc(Cl)c([N+](=O)[O-])c2)c(C)c1 ZINC000004680397 558891333 /nfs/dbraw/zinc/89/13/33/558891333.db2.gz ZFJTZYGTTXPAET-SFHVURJKSA-N 0 0 414.849 4.132 50 5 HIBARN COc1cc([N+](=O)[O-])ccc1NC(=S)NC(=O)c1ccc(-c2ccccc2)cc1 ZINC000004682348 558893452 /nfs/dbraw/zinc/89/34/52/558893452.db2.gz PGVQWIMJDSGXLJ-UHFFFAOYSA-N 0 0 407.451 4.397 50 5 HIBARN Cc1ccc(CNc2ccc(N3C(=O)[C@@H]4CC[C@@H](C)C[C@@H]4C3=O)cc2[N+](=O)[O-])cc1 ZINC000004684125 558895106 /nfs/dbraw/zinc/89/51/06/558895106.db2.gz SRLLGFJQRKFCTE-LZQZEXGQSA-N 0 0 407.470 4.441 50 5 HIBARN O=C(CSc1nc(-c2ccc([N+](=O)[O-])cc2)c[nH]1)NC12CC3CC(CC(C3)C1)C2 ZINC000004694032 558900764 /nfs/dbraw/zinc/90/07/64/558900764.db2.gz YNBMGAQTQPHCED-UHFFFAOYSA-N 0 0 412.515 4.162 50 5 HIBARN O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H]1CC(=O)N(c2ccc(Oc3ccccc3)cc2)C1 ZINC000004703071 558906605 /nfs/dbraw/zinc/90/66/05/558906605.db2.gz FMAWNBLGQZPPNO-MRXNPFEDSA-N 0 0 417.421 4.379 50 5 HIBARN COc1ccc(NC(=O)/C(=C\c2cccc([N+](=O)[O-])c2)NC(=O)c2ccccc2)cc1 ZINC000004729236 558985940 /nfs/dbraw/zinc/98/59/40/558985940.db2.gz KJSPHWGLGJXBIP-RCCKNPSSSA-N 0 0 417.421 4.013 50 5 HIBARN CC(C)CNc1cc(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)ccc1[N+](=O)[O-] ZINC000004740890 559045261 /nfs/dbraw/zinc/04/52/61/559045261.db2.gz ROCUCRLKZPFRMF-UHFFFAOYSA-N 0 0 416.909 4.279 50 5 HIBARN Cc1ccc(NC(=O)[C@H]2CCCN2C(=O)C23CC4CC(CC(C4)C2)C3)cc1[N+](=O)[O-] ZINC000023243739 559064654 /nfs/dbraw/zinc/06/46/54/559064654.db2.gz NJNHVFYCPXTYSV-YLSHDAJPSA-N 0 0 411.502 4.049 50 5 HIBARN COc1ccc(-c2cc([N+](=O)[O-])ccc2OCc2cc(=O)n3c(C)csc3n2)cc1 ZINC000011540030 559088363 /nfs/dbraw/zinc/08/83/63/559088363.db2.gz OLWDIAFZGCVURR-UHFFFAOYSA-N 0 0 423.450 4.227 50 5 HIBARN O=C(Nc1cccc(C(=O)OCc2ccc([N+](=O)[O-])cc2Cl)c1)c1ccco1 ZINC000004832968 559163246 /nfs/dbraw/zinc/16/32/46/559163246.db2.gz BMNBHNDPCXPRBV-UHFFFAOYSA-N 0 0 400.774 4.451 50 5 HIBARN COc1ccc(-c2noc(CN(C(=O)c3ccc([N+](=O)[O-])c(C)c3)C(C)C)n2)cc1 ZINC000004958773 559216414 /nfs/dbraw/zinc/21/64/14/559216414.db2.gz FNIAIBSIZIDDPB-UHFFFAOYSA-N 0 0 410.430 4.013 50 5 HIBARN C[C@@H](NC(=O)c1ccccc1NC(=O)COc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000005216481 560540281 /nfs/dbraw/zinc/54/02/81/560540281.db2.gz GQMJFISSCXTLRJ-MRXNPFEDSA-N 0 0 419.437 4.103 50 5 HIBARN Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1cccc([N+](=O)[O-])c1)N(c1ccccn1)C3=O ZINC000005218307 560543947 /nfs/dbraw/zinc/54/39/47/560543947.db2.gz UGDPMPHIMXJICY-HXUWFJFHSA-N 0 0 413.389 4.154 50 5 HIBARN Cc1c(C(=O)Nc2ccc(-c3ccc(N4CCCC4)nn3)cc2)cccc1[N+](=O)[O-] ZINC000005259303 560551421 /nfs/dbraw/zinc/55/14/21/560551421.db2.gz FQOJYGJNWMCBSR-UHFFFAOYSA-N 0 0 403.442 4.213 50 5 HIBARN O=c1nc(SCc2ccc([N+](=O)[O-])cc2)c2c(n1Cc1cccs1)CCCC2 ZINC000005267808 560554301 /nfs/dbraw/zinc/55/43/01/560554301.db2.gz FMLIAVCJHMCNJQ-UHFFFAOYSA-N 0 0 413.524 4.432 50 5 HIBARN Cc1cc(N2C(=O)c3oc4c5ccccc5ccc4c(=O)c3[C@H]2c2cccnc2)no1 ZINC000005322277 560568413 /nfs/dbraw/zinc/56/84/13/560568413.db2.gz ZPPPNGBICFOBMP-HXUWFJFHSA-N 0 0 409.401 4.387 50 5 HIBARN Cc1ccc(NC(=O)c2cccc(OCc3cn4ccccc4n3)c2)cc1[N+](=O)[O-] ZINC000017639334 560720780 /nfs/dbraw/zinc/72/07/80/560720780.db2.gz PXGVHTORFMTQKN-UHFFFAOYSA-N 0 0 402.410 4.382 50 5 HIBARN Cc1ccc(C(=O)C2CCN(C(=O)c3cc([N+](=O)[O-])ccc3N(C)C)CC2)c(C)c1 ZINC000024453896 560829664 /nfs/dbraw/zinc/82/96/64/560829664.db2.gz OUXVVUXSKZEVAS-UHFFFAOYSA-N 0 0 409.486 4.013 50 5 HIBARN O=C1Nc2ccc([N+](=O)[O-])cc2[C@@]12Oc1ccccc1[C@H]1CC(c3cccs3)=NN12 ZINC000051330291 560873946 /nfs/dbraw/zinc/87/39/46/560873946.db2.gz IWEQWAKBZQGQIZ-DYESRHJHSA-N 0 0 418.434 4.005 50 5 HIBARN CC1(C)Cc2cccc(OC3CCN(Cn4ncc5cc([N+](=O)[O-])ccc54)CC3)c2O1 ZINC000048273887 568434023 /nfs/dbraw/zinc/43/40/23/568434023.db2.gz DJPMQBCLUBOBMI-UHFFFAOYSA-N 0 0 422.485 4.159 50 5 HIBARN C[C@H](NC(=O)CCCOc1ccccc1Br)c1cccc([N+](=O)[O-])c1 ZINC000048325654 568438706 /nfs/dbraw/zinc/43/87/06/568438706.db2.gz FXHYYLJSVNFOGQ-ZDUSSCGKSA-N 0 0 407.264 4.394 50 5 HIBARN CC1CCN(C(=O)c2oc3ccccc3c2NC(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000020900634 568649881 /nfs/dbraw/zinc/64/98/81/568649881.db2.gz XMLFEGYKPJCASV-UHFFFAOYSA-N 0 0 421.453 4.394 50 5 HIBARN CNc1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccc3c(c2)OCO3)cc1[N+](=O)[O-] ZINC000021051223 568660564 /nfs/dbraw/zinc/66/05/64/568660564.db2.gz ARCYQMKDZLATOH-OAQYLSRUSA-N 0 0 418.409 4.136 50 5 HIBARN CCN(CC)c1ccc2cc(-c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)c(=O)oc2c1 ZINC000000846032 568710494 /nfs/dbraw/zinc/71/04/94/568710494.db2.gz CYIFJCKFAHESIN-UHFFFAOYSA-N 0 0 406.398 4.264 50 5 biogenic HIBARN CC[C@@H](C)[C@H](NC(=O)CCc1ccccc1)c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000096275767 568714483 /nfs/dbraw/zinc/71/44/83/568714483.db2.gz RZQNKVJESITBKY-QRWLVFNGSA-N 0 0 408.458 4.481 50 5 HIBARN CC(C)CC(=O)N(CCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C1CCCCC1 ZINC000096277870 568716376 /nfs/dbraw/zinc/71/63/76/568716376.db2.gz MKVJSAOWKBPNCB-UHFFFAOYSA-N 0 0 400.479 4.395 50 5 HIBARN CC[C@H](C)[C@@H](NC(=O)c1ccc(OC)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000096278736 568716954 /nfs/dbraw/zinc/71/69/54/568716954.db2.gz QPIZZUCXPGNVBI-SCLBCKFNSA-N 0 0 410.430 4.171 50 5 HIBARN CC[C@H](C)N(CCc1nc(-c2cccc(OC)c2)no1)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000096293514 568721823 /nfs/dbraw/zinc/72/18/23/568721823.db2.gz MJHSKAVFZQJAKA-HNNXBMFYSA-N 0 0 424.457 4.137 50 5 HIBARN O=C(Nn1c(-c2ccc([N+](=O)[O-])cc2)csc1=Nc1ccccc1)c1ccncc1 ZINC000252512361 568752327 /nfs/dbraw/zinc/75/23/27/568752327.db2.gz PREATBAUQXRNGR-UHFFFAOYSA-N 0 0 417.450 4.136 50 5 HIBARN COc1ccc(N[C@H](NC(=O)c2cccc([N+](=O)[O-])c2)C(Cl)(Cl)Cl)cc1 ZINC000000939592 568752538 /nfs/dbraw/zinc/75/25/38/568752538.db2.gz FVDOQPCRXYQGKD-OAHLLOKOSA-N 0 0 418.664 4.142 50 5 HIBARN Cc1c(Br)c([N+](=O)[O-])nn1[C@H](C)C(=O)Nc1ccccc1C(F)(F)F ZINC000001069550 568766267 /nfs/dbraw/zinc/76/62/67/568766267.db2.gz RFQHESRODRFROY-MRVPVSSYSA-N 0 0 421.173 4.081 50 5 HIBARN COc1cccc(C(=O)COc2cccc(NC(=O)c3ccc([N+](=O)[O-])cc3)c2)c1 ZINC000001109164 568768783 /nfs/dbraw/zinc/76/87/83/568768783.db2.gz MYDQFCNKIUKJKS-UHFFFAOYSA-N 0 0 406.394 4.117 50 5 HIBARN CC(=O)Nc1ccc(-c2nnc(SCc3c(Cl)cccc3[N+](=O)[O-])n2C)cc1 ZINC000001143501 568772256 /nfs/dbraw/zinc/77/22/56/568772256.db2.gz YUCLCUHOPCODKK-UHFFFAOYSA-N 0 0 417.878 4.294 50 5 HIBARN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000055553416 568779335 /nfs/dbraw/zinc/77/93/35/568779335.db2.gz OOEFWFRENSOJBD-CQSZACIVSA-N 0 0 408.483 4.268 50 5 HIBARN CC(C)(C)NC(=O)COC(=O)c1ccc(Sc2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000002617031 568785777 /nfs/dbraw/zinc/78/57/77/568785777.db2.gz XCOWJJYVAMYXLX-UHFFFAOYSA-N 0 0 422.890 4.471 50 5 HIBARN O=C(OCCOc1ccc(Br)cc1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000002617323 568785925 /nfs/dbraw/zinc/78/59/25/568785925.db2.gz YIXJMZJHQODXTJ-UHFFFAOYSA-N 0 0 400.612 4.247 50 5 HIBARN COc1ccccc1N(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1cccs1 ZINC000002627002 568789409 /nfs/dbraw/zinc/78/94/09/568789409.db2.gz RHTHJEJSKKXKAK-UHFFFAOYSA-N 0 0 404.469 4.060 50 5 HIBARN Cc1ccc2c(c1)[C@@H](c1ccccc1)N(C(=O)c1ccc(C)c([N+](=O)[O-])c1)CC(=O)N2 ZINC000002686460 568800604 /nfs/dbraw/zinc/80/06/04/568800604.db2.gz LXMBRSFIYYOHPQ-HSZRJFAPSA-N 0 0 415.449 4.396 50 5 HIBARN O=C(c1ccccc1[N+](=O)[O-])N1CC(=O)Nc2ccc(Cl)cc2[C@@H]1c1ccccc1 ZINC000002724565 568802913 /nfs/dbraw/zinc/80/29/13/568802913.db2.gz YPMSCFDBRPAGPH-NRFANRHFSA-N 0 0 421.840 4.432 50 5 HIBARN O=C(NCc1ccccc1F)c1ccc(COc2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000002761875 568807388 /nfs/dbraw/zinc/80/73/88/568807388.db2.gz OKUJKEUQXDACRG-UHFFFAOYSA-N 0 0 404.781 4.489 50 5 HIBARN Cc1nn(Cc2ccccc2C(=O)Nc2ccccc2OC(F)F)c(C)c1[N+](=O)[O-] ZINC000002796568 568809474 /nfs/dbraw/zinc/80/94/74/568809474.db2.gz UOVKWBYEKMGBSK-UHFFFAOYSA-N 0 0 416.384 4.310 50 5 HIBARN O=[N+]([O-])c1ccc(OCc2cccc(-c3n[nH]c(=S)n3C[C@@H]3CCCO3)c2)cc1 ZINC000002792543 568810037 /nfs/dbraw/zinc/81/00/37/568810037.db2.gz TYFVAWIOLGNNOR-SFHVURJKSA-N 0 0 412.471 4.274 50 5 HIBARN Cc1nn(Cc2ccccc2C(=O)Nc2ccc(OC(F)F)cc2)c(C)c1[N+](=O)[O-] ZINC000002796600 568810490 /nfs/dbraw/zinc/81/04/90/568810490.db2.gz WCYNTNOMTOFAST-UHFFFAOYSA-N 0 0 416.384 4.310 50 5 HIBARN O=C(CSc1nccc(-c2ccc(Cl)cc2)n1)Nc1cccc([N+](=O)[O-])c1 ZINC000002806502 568811666 /nfs/dbraw/zinc/81/16/66/568811666.db2.gz YNCJWZWQPLHNIN-UHFFFAOYSA-N 0 0 400.847 4.436 50 5 HIBARN CCCn1c2ccccc2c2nnc(Sc3ccc4nsnc4c3[N+](=O)[O-])nc21 ZINC000002866297 568813403 /nfs/dbraw/zinc/81/34/03/568813403.db2.gz UDWUCKCJBWVNJW-UHFFFAOYSA-N 0 0 423.483 4.454 50 5 HIBARN Cc1nn(C(=O)COc2ccc(F)cc2)c(C)c1Sc1ccc([N+](=O)[O-])cc1 ZINC000001192109 568822872 /nfs/dbraw/zinc/82/28/72/568822872.db2.gz YMBDUDAAYSJGMX-UHFFFAOYSA-N 0 0 401.419 4.418 50 5 HIBARN O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1cc(I)ccc1Cl ZINC000001219448 568825081 /nfs/dbraw/zinc/82/50/81/568825081.db2.gz JLWBPWAZFUZAMA-UHFFFAOYSA-N 0 0 420.565 4.244 50 5 HIBARN COC(=O)C1=C(C)N(c2cccc([N+](=O)[O-])c2)C(=O)N(C)[C@@H]1c1ccc(C)s1 ZINC000029623301 568827801 /nfs/dbraw/zinc/82/78/01/568827801.db2.gz LDAMKGBDYIRYFB-QGZVFWFLSA-N 0 0 401.444 4.025 50 5 HIBARN O=C(NCc1ccc(F)cc1)c1ccc2c3nc4ccccc4n3c(=S)[nH]c2c1 ZINC000002970391 568831707 /nfs/dbraw/zinc/83/17/07/568831707.db2.gz KWXBHWYIKZHEQK-UHFFFAOYSA-N 0 0 402.454 4.394 50 5 HIBARN CCCn1c(C)cc(C(=O)COC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c1C ZINC000006038896 568836247 /nfs/dbraw/zinc/83/62/47/568836247.db2.gz LOGHLMARIFIGTE-UHFFFAOYSA-N 0 0 413.474 4.063 50 5 HIBARN CCOc1ccc2[nH]c(SCC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)nc2c1 ZINC000012484353 568838856 /nfs/dbraw/zinc/83/88/56/568838856.db2.gz UCCOJEWURKLVBX-UHFFFAOYSA-N 0 0 406.851 4.254 50 5 HIBARN O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000012492007 568839075 /nfs/dbraw/zinc/83/90/75/568839075.db2.gz HFLQBOVAQAWOPQ-UHFFFAOYSA-N 0 0 403.354 4.299 50 5 HIBARN Cc1ccccc1-n1cnn(CN(C)Cc2cc([N+](=O)[O-])ccc2Cl)c1=S ZINC000012517584 568840832 /nfs/dbraw/zinc/84/08/32/568840832.db2.gz VCOQZMPSCPQELK-UHFFFAOYSA-N 0 0 403.895 4.363 50 5 HIBARN Cc1ccc(CNc2ccc(N3C(=O)[C@@H]4CC[C@H](C)C[C@H]4C3=O)cc2[N+](=O)[O-])cc1 ZINC000230093789 568841119 /nfs/dbraw/zinc/84/11/19/568841119.db2.gz SRLLGFJQRKFCTE-KFKAGJAMSA-N 0 0 407.470 4.441 50 5 HIBARN O=C(Nc1cccn(Cc2c(Cl)cccc2Cl)c1=O)c1ccccc1[N+](=O)[O-] ZINC000003041640 568848025 /nfs/dbraw/zinc/84/80/25/568848025.db2.gz AYKOTFRUBIIBTQ-UHFFFAOYSA-N 0 0 418.236 4.364 50 5 HIBARN Cc1nc(-c2ccc(CCNC(=O)c3cc([N+](=O)[O-])ccc3N(C)C)cc2)cs1 ZINC000012564768 568859861 /nfs/dbraw/zinc/85/98/61/568859861.db2.gz BVPZEZZSGJDKQE-UHFFFAOYSA-N 0 0 410.499 4.065 50 5 HIBARN COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCc2cc(-c3csc(C)n3)ccc21 ZINC000012609552 568871694 /nfs/dbraw/zinc/87/16/94/568871694.db2.gz OPTBMVMXRWDNGF-UHFFFAOYSA-N 0 0 424.482 4.037 50 5 HIBARN O=C(Nc1ccc(I)cc1)c1ccc([N+](=O)[O-])cc1Cl ZINC000001230822 568877336 /nfs/dbraw/zinc/87/73/36/568877336.db2.gz PIWSZIUVPCZCDM-UHFFFAOYSA-N 0 0 402.575 4.105 50 5 HIBARN O=C(CCc1ccc2c(c1)OCO2)N(CC1CC1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000058023395 568877891 /nfs/dbraw/zinc/87/78/91/568877891.db2.gz LYYOZXUUDYEZJK-UHFFFAOYSA-N 0 0 402.834 4.353 50 5 HIBARN O=[N+]([O-])c1ccc2nc(SCc3cc([N+](=O)[O-])cc4c3OCOC4)sc2c1 ZINC000003438439 568903198 /nfs/dbraw/zinc/90/31/98/568903198.db2.gz MLVOERZCBVRKRI-UHFFFAOYSA-N 0 0 405.413 4.272 50 5 HIBARN O=C(COC(=O)CSc1cc(Cl)ccc1Cl)Nc1cccc([N+](=O)[O-])c1 ZINC000003529751 568912693 /nfs/dbraw/zinc/91/26/93/568912693.db2.gz CWSQGKNOUCOFHN-UHFFFAOYSA-N 0 0 415.254 4.176 50 5 HIBARN O=[N+]([O-])c1c2nonc2ccc1Nc1ccc(Br)cc1Br ZINC000003879026 568928418 /nfs/dbraw/zinc/92/84/18/568928418.db2.gz INDJCECIRWQIJC-UHFFFAOYSA-N 0 0 414.013 4.400 50 5 HIBARN Cc1nn(CCCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)c(C)c1[N+](=O)[O-] ZINC000001431333 568939842 /nfs/dbraw/zinc/93/98/42/568939842.db2.gz UMCNPZIVWBKMCP-UHFFFAOYSA-N 0 0 404.776 4.499 50 5 HIBARN O=C(NCCCNc1ccc([N+](=O)[O-])cc1Cl)c1ccc(Br)cc1 ZINC000004119381 568944046 /nfs/dbraw/zinc/94/40/46/568944046.db2.gz GDVOHMWOGCXIPY-UHFFFAOYSA-N 0 0 412.671 4.243 50 5 HIBARN O=C1CCCN1C[C@H]1CCCCN1c1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000084334853 568946503 /nfs/dbraw/zinc/94/65/03/568946503.db2.gz YMPPENKIYZKCBQ-LLVKDONJSA-N 0 0 405.804 4.248 50 5 HIBARN O=C(NCCCNc1ccc([N+](=O)[O-])cc1Cl)c1cccc(Br)c1 ZINC000004187798 568949158 /nfs/dbraw/zinc/94/91/58/568949158.db2.gz WAPMURMSSUNZIS-UHFFFAOYSA-N 0 0 412.671 4.243 50 5 HIBARN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000229532434 568950207 /nfs/dbraw/zinc/95/02/07/568950207.db2.gz DAOOVLYQDZZLEV-SCLBCKFNSA-N 0 0 414.849 4.433 50 5 HIBARN CCOC(=O)c1cnc2ccc(OCC)cc2c1Nc1cc([N+](=O)[O-])ccc1OC ZINC000004192454 568950368 /nfs/dbraw/zinc/95/03/68/568950368.db2.gz OFFKDXDIZABYBI-UHFFFAOYSA-N 0 0 411.414 4.471 50 5 HIBARN C[C@@H](Nc1ccc(C(=O)N(C)OCc2ccccc2)cc1[N+](=O)[O-])c1ccccn1 ZINC000084661049 568954984 /nfs/dbraw/zinc/95/49/84/568954984.db2.gz QHQASHAKGFGOOE-MRXNPFEDSA-N 0 0 406.442 4.367 50 5 HIBARN O=C(COC(=O)CCCc1c[nH]c2ccccc12)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000006053293 568988878 /nfs/dbraw/zinc/98/88/78/568988878.db2.gz RBSZYSJMMXVICR-UHFFFAOYSA-N 0 0 415.833 4.234 50 5 HIBARN COc1cc(C(=O)Nc2ccc3nc(SC)sc3c2)c([N+](=O)[O-])cc1OC ZINC000012817021 568990067 /nfs/dbraw/zinc/99/00/67/568990067.db2.gz SFNRQEDXEGVXIG-UHFFFAOYSA-N 0 0 405.457 4.196 50 5 HIBARN O=c1/c(=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)sc2nc3ccccc3n12 ZINC000008383258 568996246 /nfs/dbraw/zinc/99/62/46/568996246.db2.gz ZVLIUXXEPLNYSO-ZDLGFXPLSA-N 0 0 423.837 4.279 50 5 HIBARN COc1ccc(-c2cc([N+](=O)[O-])ccc2OCc2cc(=O)n3cccc(C)c3n2)cc1 ZINC000012930147 569024135 /nfs/dbraw/zinc/02/41/35/569024135.db2.gz DPVYKHPFUGGBNQ-UHFFFAOYSA-N 0 0 417.421 4.166 50 5 HIBARN Cc1nc(NC(=O)c2sc3cc([N+](=O)[O-])ccc3c2Cl)sc1C(=O)N(C)C ZINC000016400386 569041142 /nfs/dbraw/zinc/04/11/42/569041142.db2.gz BAHXEMXNPFRTQD-UHFFFAOYSA-N 0 0 424.891 4.182 50 5 HIBARN O=C(c1ccc(C(F)(F)F)cc1)N1CCC[C@@H](OCc2cccc([N+](=O)[O-])c2)C1 ZINC000036315188 569134799 /nfs/dbraw/zinc/13/47/99/569134799.db2.gz OIZKCHUDVQRVHC-GOSISDBHSA-N 0 0 408.376 4.435 50 5 HIBARN O=C(NCc1ccc2ncccc2c1)c1ccc(COc2ccccc2[N+](=O)[O-])o1 ZINC000006829353 569143395 /nfs/dbraw/zinc/14/33/95/569143395.db2.gz ZZDFSGOXDFFVFS-UHFFFAOYSA-N 0 0 403.394 4.245 50 5 HIBARN C[C@@H](Nc1cccc(OC[C@@H]2CCCO2)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000036394229 569168097 /nfs/dbraw/zinc/16/80/97/569168097.db2.gz RVWNRSHFJCMYJM-DYVFJYSZSA-N 0 0 419.865 4.245 50 5 HIBARN Cc1ccc(NC(=O)COc2ncnc3sc4c(c32)CC[C@@H](C)C4)c([N+](=O)[O-])c1 ZINC000007238920 569230241 /nfs/dbraw/zinc/23/02/41/569230241.db2.gz WQCUOEZFTRRRGX-GFCCVEGCSA-N 0 0 412.471 4.050 50 5 HIBARN COc1ccc(NS(=O)(=O)c2ccc(Nc3ccc(C)cc3)c([N+](=O)[O-])c2)cc1 ZINC000089635172 569261479 /nfs/dbraw/zinc/26/14/79/569261479.db2.gz JUAKRHJLQJWVBI-UHFFFAOYSA-N 0 0 413.455 4.456 50 5 HIBARN NC(=O)c1cc2cc([N+](=O)[O-])ccc2o/c1=N\c1ccc(Oc2ccccc2)cc1 ZINC000017130812 569275215 /nfs/dbraw/zinc/27/52/15/569275215.db2.gz WMVAESSTHKOMIB-GYHWCHFESA-N 0 0 401.378 4.465 50 5 HIBARN CCOc1ccc(/C=C2/N=C(c3ccc([N+](=O)[O-])cc3Cl)OC2=O)cc1OC ZINC000002070898 569277519 /nfs/dbraw/zinc/27/75/19/569277519.db2.gz YRNAXFYMNMQXDI-OVCLIPMQSA-N 0 0 402.790 4.000 50 5 HIBARN O=C(Nc1cc(OCC(F)(F)F)cc([N+](=O)[O-])c1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000002100483 569281274 /nfs/dbraw/zinc/28/12/74/569281274.db2.gz WTRCFYNGUGQFSW-UHFFFAOYSA-N 0 0 419.699 4.350 50 5 HIBARN Cc1c(NC(=O)CCCCC(=O)Nc2cccc([N+](=O)[O-])c2C)cccc1[N+](=O)[O-] ZINC000002133466 569287071 /nfs/dbraw/zinc/28/70/71/569287071.db2.gz ASOXJLIAPGBWCO-UHFFFAOYSA-N 0 0 414.418 4.257 50 5 HIBARN C[C@@H](NC(=O)OCc1ccccc1)C(=O)Oc1ccc2c(c1)oc(=O)c1ccccc21 ZINC000002132935 569287336 /nfs/dbraw/zinc/28/73/36/569287336.db2.gz MCAZTVREVCMPPG-OAHLLOKOSA-N 0 0 417.417 4.167 50 5 biogenic HIBARN CCCCCCn1c2nc3ccccc3nc2c2c1ncn(C[C@H]1CCCO1)c2=O ZINC000002250297 569323970 /nfs/dbraw/zinc/32/39/70/569323970.db2.gz DXWJJSNIGNNHMF-MRXNPFEDSA-N 0 0 405.502 4.054 50 5 HIBARN COc1cc(-c2c3cnn(C)c3nc3c4ccc(O)cc4oc32)cc2c1OCCO2 ZINC000253404744 569365867 /nfs/dbraw/zinc/36/58/67/569365867.db2.gz HYHCOWMFXAGNTA-UHFFFAOYSA-N 0 0 403.394 4.020 50 5 HIBARN Cc1ccc(NC(=O)C[N@H+](Cc2ccc3c(c2)OCO3)C2CCCC2)c([N+](=O)[O-])c1 ZINC000027574100 569374532 /nfs/dbraw/zinc/37/45/32/569374532.db2.gz MRAYOMZZJBHZQY-UHFFFAOYSA-N 0 0 411.458 4.015 50 5 HIBARN O=C(COC(=O)c1ccncc1)c1ccc(Oc2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000002362915 569385673 /nfs/dbraw/zinc/38/56/73/569385673.db2.gz KMAYCNAVBUIQAT-UHFFFAOYSA-N 0 0 412.785 4.475 50 5 HIBARN COc1ccc(OC)c(Nc2nc(Nc3cccc(Cl)c3)nc(N)c2[N+](=O)[O-])c1 ZINC000009009349 569391188 /nfs/dbraw/zinc/39/11/88/569391188.db2.gz PGGDFFIGVCZLJC-UHFFFAOYSA-N 0 0 416.825 4.125 50 5 HIBARN Cc1c(C(=O)Nc2nnc(-c3ccc(Br)cc3)s2)cccc1[N+](=O)[O-] ZINC000009367646 569392478 /nfs/dbraw/zinc/39/24/78/569392478.db2.gz CEVCEDIMAXGLFY-UHFFFAOYSA-N 0 0 419.260 4.437 50 5 HIBARN CCn1c(SCC(=O)c2cccc([N+](=O)[O-])c2)nnc1[C@@H](C)Oc1ccccc1 ZINC000009426760 569392610 /nfs/dbraw/zinc/39/26/10/569392610.db2.gz CNVDVOKYEFVJLW-CQSZACIVSA-N 0 0 412.471 4.321 50 5 HIBARN CCOCCCn1cnc2c(c3nc4ccccc4nc3n2-c2cccc(C)c2)c1=O ZINC000002402762 569395780 /nfs/dbraw/zinc/39/57/80/569395780.db2.gz NUXRMTRZRRNTMM-UHFFFAOYSA-N 0 0 413.481 4.019 50 5 HIBARN Cc1cccc2c3nc4ccccc4nc3n(CCN3C(=O)c4ccccc4C3=O)c21 ZINC000002428125 569398699 /nfs/dbraw/zinc/39/86/99/569398699.db2.gz KWEJBTRJIYVNQE-UHFFFAOYSA-N 0 0 406.445 4.342 50 5 HIBARN COc1ccc2c(c1)oc1nc(-c3ccccc3)n(CCc3ccccc3)c(=O)c1c2=O ZINC000002436959 569399744 /nfs/dbraw/zinc/39/97/44/569399744.db2.gz YAKGXKAWMPCSGK-UHFFFAOYSA-N 0 0 424.456 4.421 50 5 HIBARN COc1ccc2c(c1)oc1nc(-c3ccc(F)cc3)n(-c3ccccc3)c(=O)c1c2=O ZINC000002439857 569400156 /nfs/dbraw/zinc/40/01/56/569400156.db2.gz KKXWEOTXOCAAQY-UHFFFAOYSA-N 0 0 414.392 4.307 50 5 HIBARN O=C(CCn1cnc([N+](=O)[O-])c1)Nc1nc(-c2ccc(Cl)cc2Cl)cs1 ZINC000012793926 569403525 /nfs/dbraw/zinc/40/35/25/569403525.db2.gz HUPGWXOOLFPIGB-UHFFFAOYSA-N 0 0 412.258 4.250 50 5 HIBARN O=C(Nc1ccc(I)cc1F)c1ccc([N+](=O)[O-])cc1Cl ZINC000012855374 569404017 /nfs/dbraw/zinc/40/40/17/569404017.db2.gz DTSCZIGGFUTOFY-UHFFFAOYSA-N 0 0 420.565 4.244 50 5 HIBARN COc1c(Br)cc(F)cc1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000012973375 569405527 /nfs/dbraw/zinc/40/55/27/569405527.db2.gz PEBPJAXMVWUYNX-UHFFFAOYSA-N 0 0 403.591 4.411 50 5 HIBARN Cc1ccc(C(=O)O[C@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)s1 ZINC000013028867 569407516 /nfs/dbraw/zinc/40/75/16/569407516.db2.gz YGHQKRJKKVBODR-LLVKDONJSA-N 0 0 417.468 4.272 50 5 HIBARN Cc1ccc2[nH]c3nc(S[C@H](C)C(=O)Nc4ccc([N+](=O)[O-])cc4C)nnc3c2c1 ZINC000013389627 569413287 /nfs/dbraw/zinc/41/32/87/569413287.db2.gz CRGDAOYHUXBYIC-GFCCVEGCSA-N 0 0 422.470 4.150 50 5 HIBARN Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1cccc([N+](=O)[O-])c1)N(c1nccs1)C3=O ZINC000008827404 571122196 /nfs/dbraw/zinc/12/21/96/571122196.db2.gz CJUCLCWGUJKCHS-KRWDZBQOSA-N 0 0 419.418 4.216 50 5 HIBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl ZINC000040073744 571153954 /nfs/dbraw/zinc/15/39/54/571153954.db2.gz DMWDJHKRMNCVQU-KRWDZBQOSA-N 0 0 422.268 4.453 50 5 HIBARN O=[N+]([O-])c1cccc(OCCSc2nnc3c(Cl)cc(C(F)(F)F)cn23)c1 ZINC000040127376 571179281 /nfs/dbraw/zinc/17/92/81/571179281.db2.gz XKXLLGHBWXMMRY-UHFFFAOYSA-N 0 0 418.784 4.481 50 5 HIBARN O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N(CCc1ccccc1)Cc1ccccc1 ZINC000040151534 571199594 /nfs/dbraw/zinc/19/95/94/571199594.db2.gz JBWWHRBJHDZYBX-UHFFFAOYSA-N 0 0 414.458 4.168 50 5 HIBARN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000040154703 571202009 /nfs/dbraw/zinc/20/20/09/571202009.db2.gz DAOOVLYQDZZLEV-UGSOOPFHSA-N 0 0 414.849 4.433 50 5 HIBARN O=[N+]([O-])c1c2nonc2c(Cl)cc1Nc1ccc(I)cc1 ZINC000009065377 571217857 /nfs/dbraw/zinc/21/78/57/571217857.db2.gz NYRIHDVKNKYXND-UHFFFAOYSA-N 0 0 416.562 4.133 50 5 HIBARN COc1ccc([C@@H]2Nc3c(sc(=S)n3-c3ccccc3)C(=O)N2)cc1[N+](=O)[O-] ZINC000009236355 571240216 /nfs/dbraw/zinc/24/02/16/571240216.db2.gz KAVQYYATRPEQHY-OAHLLOKOSA-N 0 0 414.468 4.039 50 5 HIBARN COc1ccc(C(=O)OCC(=O)Nc2ccccc2Oc2ccccc2)cc1[N+](=O)[O-] ZINC000009244499 571241233 /nfs/dbraw/zinc/24/12/33/571241233.db2.gz TYRGKDKWPMJOEZ-UHFFFAOYSA-N 0 0 422.393 4.191 50 5 HIBARN O=C(Nc1ccccc1-c1nc2ccccc2[nH]c1=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000009260577 571243697 /nfs/dbraw/zinc/24/36/97/571243697.db2.gz HKWPYBFZARQLOJ-UHFFFAOYSA-N 0 0 420.812 4.404 50 5 HIBARN Nc1c(C(=O)Nc2ccc(F)cc2)c2ccccn2c1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000009317017 571247573 /nfs/dbraw/zinc/24/75/73/571247573.db2.gz HIDOHVGNAQQIOU-UHFFFAOYSA-N 0 0 418.384 4.052 50 5 HIBARN O=c1c([N+](=O)[O-])c(NC[C@H](O)c2ccccc2)c2ccccc2n1-c1ccccc1 ZINC000009328449 571248484 /nfs/dbraw/zinc/24/84/84/571248484.db2.gz RCCGXRLSEKSUER-FQEVSTJZSA-N 0 0 401.422 4.044 50 5 HIBARN Cc1cccc(C(=O)OCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)c1[N+](=O)[O-] ZINC000009584719 571271168 /nfs/dbraw/zinc/27/11/68/571271168.db2.gz KGCRLBXXRVTINP-UHFFFAOYSA-N 0 0 416.739 4.371 50 5 HIBARN Cc1cc(NC(=O)c2noc(C(C)C)c2[N+](=O)[O-])nn1Cc1ccc(Cl)cc1 ZINC000009610806 571273613 /nfs/dbraw/zinc/27/36/13/571273613.db2.gz YWGLWNNIBRDKAW-UHFFFAOYSA-N 0 0 403.826 4.165 50 5 HIBARN C[C@H](OC(=O)c1nc(Cl)ccc1Cl)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000009645842 571276306 /nfs/dbraw/zinc/27/63/06/571276306.db2.gz JXWAUSWNEPZMHK-ZETCQYMHSA-N 0 0 418.620 4.134 50 5 HIBARN O=C(Nc1nc(-c2ccc3c(c2)OCCO3)cs1)c1cc([N+](=O)[O-])ccc1Cl ZINC000009646202 571276432 /nfs/dbraw/zinc/27/64/32/571276432.db2.gz YRYNEUFNXISDMT-UHFFFAOYSA-N 0 0 417.830 4.395 50 5 HIBARN O=C(Nc1ccc([N+](=O)[O-])cc1)/C(=C\c1ccc(Cl)cc1)NC(=O)c1ccco1 ZINC000005092120 845082387 /nfs/dbraw/zinc/08/23/87/845082387.db2.gz ITZLVROARIAEJX-SFQUDFHCSA-N 0 0 411.801 4.251 50 5 HIBARN COc1ccc(Br)cc1CN(C)C(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000005458830 845116637 /nfs/dbraw/zinc/11/66/37/845116637.db2.gz LEAGQJQFKVNFNR-RMKNXTFCSA-N 0 0 405.248 4.038 50 5 HIBARN C[C@H](OC(=O)/C=C\c1cccc(C(F)(F)F)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000033691196 848138171 /nfs/dbraw/zinc/13/81/71/848138171.db2.gz IGLNQLTUYMGKDB-LAUAKBEESA-N 0 0 408.332 4.197 50 5 HIBARN O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000002255100 132250665 /nfs/dbraw/zinc/25/06/65/132250665.db2.gz WVKANYVAWYFKFN-QPJJXVBHSA-N 0 0 421.375 4.102 50 5 HIBARN O=C(C1c2ccccc2Oc2ccccc21)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000004457751 132277321 /nfs/dbraw/zinc/27/73/21/132277321.db2.gz LZHMDSBVLUNWER-UHFFFAOYSA-N 0 0 415.449 4.181 50 5 HIBARN O=C(c1ccc(OCc2ccccc2)cc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000004663387 132281521 /nfs/dbraw/zinc/28/15/21/132281521.db2.gz VEZZBUFRHNNVKX-UHFFFAOYSA-N 0 0 417.465 4.136 50 5 HIBARN CCc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(N4CCCCC4)c3)CC2)cc1 ZINC000004703754 132284065 /nfs/dbraw/zinc/28/40/65/132284065.db2.gz DGCBCCRMKHYMOE-UHFFFAOYSA-N 0 0 422.529 4.110 50 5 HIBARN C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2F)CCN1C(=O)c1ccc(Cl)cc1Cl ZINC000004949424 132296890 /nfs/dbraw/zinc/29/68/90/132296890.db2.gz BQUTYHGNZQYBJB-LLVKDONJSA-N 0 0 412.248 4.392 50 5 HIBARN Cc1cccc(C)c1N1C(=O)c2ccccc2N[C@]12C(=O)Nc1ccc([N+](=O)[O-])cc12 ZINC000005065433 132300125 /nfs/dbraw/zinc/30/01/25/132300125.db2.gz MKJKYBWPGAOPCG-QHCPKHFHSA-N 0 0 414.421 4.089 50 5 HIBARN Cc1ccc(-c2csc(NC(=O)c3cc([N+](=O)[O-])ccc3N3CCOCC3)n2)cc1 ZINC000009540649 132340983 /nfs/dbraw/zinc/34/09/83/132340983.db2.gz TVLDNHKEZXPYHY-UHFFFAOYSA-N 0 0 424.482 4.116 50 5 HIBARN CC1CCN(c2ccc(C(=O)NCCCc3nc4ccccc4[nH]3)cc2[N+](=O)[O-])CC1 ZINC000011485070 132348178 /nfs/dbraw/zinc/34/81/78/132348178.db2.gz GCMWGHWVCPUCND-UHFFFAOYSA-N 0 0 421.501 4.070 50 5 HIBARN Cc1ccccc1CNC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000012561733 132364043 /nfs/dbraw/zinc/36/40/43/132364043.db2.gz UWESTOPZYKFZQO-UHFFFAOYSA-N 0 0 421.419 4.455 50 5 HIBARN COc1ccc([C@H]2CCCN2C(=O)CCCNc2ccccc2[N+](=O)[O-])c(OC)c1 ZINC000032747579 525409560 /nfs/dbraw/zinc/40/95/60/525409560.db2.gz SNZGJKLXZHIGSO-LJQANCHMSA-N 0 0 413.474 4.168 50 5 HIBARN O=C(c1ccc(N2CCC[C@@H]2c2ccc(Cl)cc2)c([N+](=O)[O-])c1)N1CCOCC1 ZINC000032829686 526699946 /nfs/dbraw/zinc/69/99/46/526699946.db2.gz NZAZVNOZZXTCBZ-GOSISDBHSA-N 0 0 415.877 4.062 50 5 HIBARN O=C(CSc1ccc(-c2cccc([N+](=O)[O-])c2)nn1)Nc1nc2ccccc2s1 ZINC000012140463 527031461 /nfs/dbraw/zinc/03/14/61/527031461.db2.gz NGHVKBMPXHPGBF-UHFFFAOYSA-N 0 0 423.479 4.392 50 5 HIBARN O=C(Nc1cc(Br)ccc1Br)c1ccccc1[N+](=O)[O-] ZINC000031950898 527101172 /nfs/dbraw/zinc/10/11/72/527101172.db2.gz BXPRTZPJYFZUKB-UHFFFAOYSA-N 0 0 400.026 4.372 50 5 HIBARN O=C(Nc1cc2c(cc1Cl)OCCO2)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000032581990 527133480 /nfs/dbraw/zinc/13/34/80/527133480.db2.gz YPVUGTJEEJPWQS-UHFFFAOYSA-N 0 0 417.849 4.262 50 5 HIBARN O=[N+]([O-])c1ccc(F)cc1CN1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000032936879 527356781 /nfs/dbraw/zinc/35/67/81/527356781.db2.gz HPUFRAQJVZXKLB-UHFFFAOYSA-N 0 0 418.778 4.123 50 5 HIBARN COc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccccc2[N+](=O)[O-])c(OC)c1 ZINC000020915831 536665933 /nfs/dbraw/zinc/66/59/33/536665933.db2.gz QNGANGVNJGGLKJ-NRFANRHFSA-N 0 0 405.410 4.383 50 5 HIBARN Cc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)C2c4ccccc4C3c3ccccc32)cc1[N+](=O)[O-] ZINC000000826202 557093792 /nfs/dbraw/zinc/09/37/92/557093792.db2.gz DEBHJEWSPXAVOJ-BBITVKMKSA-N 0 0 410.429 4.300 50 5 HIBARN CCn1c(S[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)nnc1C1CCCCC1 ZINC000004349197 558424584 /nfs/dbraw/zinc/42/45/84/558424584.db2.gz COJGVVNCUDFCKV-ZDUSSCGKSA-N 0 0 403.508 4.373 50 5 HIBARN CC(=O)Nc1ccc(Cl)cc1NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000072048259 558438900 /nfs/dbraw/zinc/43/89/00/558438900.db2.gz VLFBOZBWJHTGIY-UHFFFAOYSA-N 0 0 419.868 4.405 50 5 HIBARN CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000059811975 558548335 /nfs/dbraw/zinc/54/83/35/558548335.db2.gz LEZSPJDQOFIULQ-UHFFFAOYSA-N 0 0 420.256 4.145 50 5 HIBARN COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nc(C2CC2)nc2ccccc21 ZINC000010939752 558588324 /nfs/dbraw/zinc/58/83/24/558588324.db2.gz ZVNBIHDRGLFZOC-UHFFFAOYSA-N 0 0 410.455 4.155 50 5 HIBARN Cc1cccc(C)c1NC(=O)CCC(=O)OCC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004520473 558651951 /nfs/dbraw/zinc/65/19/51/558651951.db2.gz SGQYYEMUBWAOOM-UHFFFAOYSA-N 0 0 418.833 4.010 50 5 HIBARN COc1cc(C(=O)Oc2ccc3c(c2)oc(=O)c2ccccc32)cc(OC)c1OC ZINC000003079037 558747361 /nfs/dbraw/zinc/74/73/61/558747361.db2.gz HZDZUAOZMJJPBA-UHFFFAOYSA-N 0 0 406.390 4.191 50 5 biogenic HIBARN COc1ccc(N(Cc2ccc(F)cc2)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000036247478 558798598 /nfs/dbraw/zinc/79/85/98/558798598.db2.gz SMQOEQSRWZITCQ-UHFFFAOYSA-N 0 0 416.430 4.138 50 5 HIBARN C[C@H](Nc1ccc(C(=O)N2CCOCC2)cc1[N+](=O)[O-])c1ccc2ccccc2c1 ZINC000033010736 558830708 /nfs/dbraw/zinc/83/07/08/558830708.db2.gz NXMXJUZGLAOYKN-INIZCTEOSA-N 0 0 405.454 4.394 50 5 HIBARN O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc(Cl)c(-c2nc3ncccc3o2)c1 ZINC000013957465 559013139 /nfs/dbraw/zinc/01/31/39/559013139.db2.gz GHKYWZIMBLSBGT-UHFFFAOYSA-N 0 0 424.800 4.469 50 5 HIBARN Cc1ccc(S(=O)(=O)Nc2ccc(-c3cn4ccccc4n3)cc2)cc1[N+](=O)[O-] ZINC000004807933 559068583 /nfs/dbraw/zinc/06/85/83/559068583.db2.gz JDHRQMAFIQJFFG-UHFFFAOYSA-N 0 0 408.439 4.019 50 5 HIBARN O=C(Nc1ccccc1[N+](=O)[O-])c1cc(I)ccc1Cl ZINC000004819743 559069025 /nfs/dbraw/zinc/06/90/25/559069025.db2.gz AMRKLTYLCFQCSF-UHFFFAOYSA-N 0 0 402.575 4.105 50 5 HIBARN Cc1cccc(NC(=O)/C(=C\c2cccc([N+](=O)[O-])c2)NC(=O)c2cccs2)c1 ZINC000004827530 559155326 /nfs/dbraw/zinc/15/53/26/559155326.db2.gz LCUPIXMKBGZFKY-QGOAFFKASA-N 0 0 407.451 4.374 50 5 HIBARN COc1cc([N+](=O)[O-])ccc1NC(=O)COc1cc(C)c(Br)c(C)c1 ZINC000004833910 559163261 /nfs/dbraw/zinc/16/32/61/559163261.db2.gz AYWNHJLXKJTODV-UHFFFAOYSA-N 0 0 409.236 4.000 50 5 HIBARN CSc1ccccc1NC(=O)CCCn1nc([N+](=O)[O-])c(Br)c1C ZINC000004881415 559196418 /nfs/dbraw/zinc/19/64/18/559196418.db2.gz TVDHWKFXFFTIQD-UHFFFAOYSA-N 0 0 413.297 4.003 50 5 HIBARN CC(C)n1c(S[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])nc2ccccc2c1=O ZINC000004948425 559214772 /nfs/dbraw/zinc/21/47/72/559214772.db2.gz BRSVDTQUBWFIBI-ZDUSSCGKSA-N 0 0 412.471 4.005 50 5 HIBARN Cc1ccccc1C(=O)N[C@H](Nc1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)Cl ZINC000005003361 559226407 /nfs/dbraw/zinc/22/64/07/559226407.db2.gz NYGCUVSYJJJYAI-HNNXBMFYSA-N 0 0 402.665 4.441 50 5 HIBARN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H](OC(=O)c1ccncc1)c1ccccc1 ZINC000005020719 559229206 /nfs/dbraw/zinc/22/92/06/559229206.db2.gz QCKREFQJNNTBQO-SFHVURJKSA-N 0 0 411.801 4.180 50 5 HIBARN O=C(c1cccc(Br)c1)N1CCN=C1SCc1cccc([N+](=O)[O-])c1 ZINC000011757755 559257741 /nfs/dbraw/zinc/25/77/41/559257741.db2.gz ZUZFDQPRWQMZMJ-UHFFFAOYSA-N 0 0 420.288 4.103 50 5 HIBARN Cc1ccc(Cl)cc1-n1ncc2c3nnc(-c4cccc([N+](=O)[O-])c4)n3cnc21 ZINC000005163171 559275331 /nfs/dbraw/zinc/27/53/31/559275331.db2.gz RMEKCKYAYGCQQO-UHFFFAOYSA-N 0 0 405.805 4.000 50 5 HIBARN O=C(Nc1cccc(F)c1)/C(=C/c1cccc([N+](=O)[O-])c1)NC(=O)C1CCCCC1 ZINC000005196936 559291946 /nfs/dbraw/zinc/29/19/46/559291946.db2.gz LIODRNKRZNXZJO-MOSHPQCFSA-N 0 0 411.433 4.410 50 5 HIBARN CC(C)(C)OC(=O)N1CCC(C(=O)Oc2ccc3c(c2)oc(=O)c2ccccc32)CC1 ZINC000005323596 560564838 /nfs/dbraw/zinc/56/48/38/560564838.db2.gz QJRYQJUWUGGVLC-UHFFFAOYSA-N 0 0 423.465 4.499 50 5 HIBARN O=C(CN=c1sc2ccccc2n1C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000101123563 560788124 /nfs/dbraw/zinc/78/81/24/560788124.db2.gz QRPXTKGFRMSQBJ-GHVJWSGMSA-N 0 0 417.446 4.083 50 5 HIBARN CC(C)CCC(=O)c1cc([N+](=O)[O-])cc2c1-c1c(cc([N+](=O)[O-])cc1[N+](=O)[O-])C2=O ZINC000104134793 560848450 /nfs/dbraw/zinc/84/84/50/560848450.db2.gz ZXBATHOLAUEGBZ-UHFFFAOYSA-N 0 0 413.342 4.242 50 5 HIBARN CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1nn(-c2ccc(F)cc2)c2c1CCCCC2 ZINC000048234173 568432563 /nfs/dbraw/zinc/43/25/63/568432563.db2.gz DRGGRAQQSYPLPM-UHFFFAOYSA-N 0 0 422.460 4.461 50 5 HIBARN O=c1oc2ccc([N+](=O)[O-])cc2n1CN1CCCC[C@H]1c1nc2ccccc2s1 ZINC000048288157 568434845 /nfs/dbraw/zinc/43/48/45/568434845.db2.gz CMKCNAIXZBEKAC-HNNXBMFYSA-N 0 0 410.455 4.297 50 5 HIBARN O=C(Cn1c(-c2ccccc2)cc2ccccc21)NC[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000048333881 568439544 /nfs/dbraw/zinc/43/95/44/568439544.db2.gz XQIAXNOGEJGLNW-QHCPKHFHSA-N 0 0 415.449 4.066 50 5 HIBARN COC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000000657197 568457701 /nfs/dbraw/zinc/45/77/01/568457701.db2.gz XNLXJNJQPZBCED-UHFFFAOYSA-N 0 0 414.414 4.430 50 5 HIBARN CCOC(=O)c1c(NC(=O)Cc2ccc([N+](=O)[O-])cc2)sc2c1CC[C@@H](C)C2 ZINC000000656216 568457825 /nfs/dbraw/zinc/45/78/25/568457825.db2.gz NDEPVSJPEMSZHV-GFCCVEGCSA-N 0 0 402.472 4.139 50 5 HIBARN COc1cc2c(cc1OC)[C@H](c1cccc([N+](=O)[O-])c1)N(C(=O)c1ccccc1)CC2 ZINC000000716120 568464770 /nfs/dbraw/zinc/46/47/70/568464770.db2.gz LWUJDEMKGYHFRZ-QHCPKHFHSA-N 0 0 418.449 4.400 50 5 HIBARN COc1ccccc1N[C@@H](NC(=O)c1ccccc1[N+](=O)[O-])C(Cl)(Cl)Cl ZINC000000837034 568515062 /nfs/dbraw/zinc/51/50/62/568515062.db2.gz GDTSRVFYAOKCIP-HNNXBMFYSA-N 0 0 418.664 4.142 50 5 HIBARN Cc1ccccc1N1C(=O)N(Cc2cccc([N+](=O)[O-])c2)c2ccccc2S1(=O)=O ZINC000021117488 568669244 /nfs/dbraw/zinc/66/92/44/568669244.db2.gz QIMBODOQKLCAIT-UHFFFAOYSA-N 0 0 423.450 4.239 50 5 HIBARN COc1ccc(C(=O)NCCc2ccc(-c3csc(C)n3)s2)cc1[N+](=O)[O-] ZINC000012396692 568698099 /nfs/dbraw/zinc/69/80/99/568698099.db2.gz RSIIKYPZEVZCCX-UHFFFAOYSA-N 0 0 403.485 4.069 50 5 HIBARN O=[N+]([O-])c1ccc([C@@H]2SCCN2S(=O)(=O)c2ccc3ccccc3c2)cc1 ZINC000000855071 568711686 /nfs/dbraw/zinc/71/16/86/568711686.db2.gz RWFGLXUMRGIXKX-IBGZPJMESA-N 0 0 400.481 4.184 50 5 HIBARN O=C(C[C@@H](c1c[nH]c2ccc(Cl)cc21)c1ccccc1[N+](=O)[O-])N1CCOCC1 ZINC000096276435 568715398 /nfs/dbraw/zinc/71/53/98/568715398.db2.gz SIVJLXKVNWKGPY-MRXNPFEDSA-N 0 0 413.861 4.110 50 5 HIBARN CC(C)CC(=O)N(CCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)Cc1ccccc1 ZINC000096277947 568716404 /nfs/dbraw/zinc/71/64/04/568716404.db2.gz MNOGCFAZQDGOEN-UHFFFAOYSA-N 0 0 408.458 4.262 50 5 HIBARN Cn1cc([C@@H](CC(=O)NCc2ccncc2)c2cccc([N+](=O)[O-])c2)c2ccccc21 ZINC000096277871 568716483 /nfs/dbraw/zinc/71/64/83/568716483.db2.gz UNEVWRAYILMXIJ-NRFANRHFSA-N 0 0 414.465 4.320 50 5 HIBARN O=C(c1ccco1)N(CCc1nc(-c2cccc([N+](=O)[O-])c2)no1)Cc1ccccc1 ZINC000096294062 568721939 /nfs/dbraw/zinc/72/19/39/568721939.db2.gz SMFLTIYYKDPVEE-UHFFFAOYSA-N 0 0 418.409 4.123 50 5 HIBARN CC[C@H](C)N(CCc1nc(-c2ccc(F)cc2)no1)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000096293674 568722052 /nfs/dbraw/zinc/72/20/52/568722052.db2.gz RHYLJTIOAZXEBS-AWEZNQCLSA-N 0 0 412.421 4.267 50 5 HIBARN Cc1cc(NC(=O)c2ccccc2[N+](=O)[O-])n(-c2nc(-c3ccccc3)cs2)n1 ZINC000012441720 568724381 /nfs/dbraw/zinc/72/43/81/568724381.db2.gz QKOMYXKILPMJAB-UHFFFAOYSA-N 0 0 405.439 4.465 50 5 HIBARN C[C@@H](Cc1ccccc1)NC(=O)C(c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 ZINC000003093290 568727536 /nfs/dbraw/zinc/72/75/36/568727536.db2.gz SKSBIDXFNLSUDP-INIZCTEOSA-N 0 0 419.437 4.382 50 5 HIBARN COc1ccc(N[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2)C(Cl)(Cl)Cl)cc1 ZINC000000939593 568752602 /nfs/dbraw/zinc/75/26/02/568752602.db2.gz FVDOQPCRXYQGKD-HNNXBMFYSA-N 0 0 418.664 4.142 50 5 HIBARN COc1ccccc1-c1nnc(Sc2ncccc2[N+](=O)[O-])n1-c1ccccc1 ZINC000001043253 568764382 /nfs/dbraw/zinc/76/43/82/568764382.db2.gz RZEAZTPDFPLNGO-UHFFFAOYSA-N 0 0 405.439 4.397 50 5 HIBARN O=C(NC[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccc1SCc1cccs1 ZINC000022061682 568764559 /nfs/dbraw/zinc/76/45/59/568764559.db2.gz ZHLDZXQZHRYWIM-SFHVURJKSA-N 0 0 414.508 4.412 50 5 HIBARN COc1cccc(C(=O)COc2cccc(NC(=O)c3cccc([N+](=O)[O-])c3)c2)c1 ZINC000001108972 568768802 /nfs/dbraw/zinc/76/88/02/568768802.db2.gz AHQFAZSZCZGVNZ-UHFFFAOYSA-N 0 0 406.394 4.117 50 5 aggregator HIBARN O=C(Nc1ccc2c(c1)nc1n2CCN(C2CCCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000052580713 568770969 /nfs/dbraw/zinc/77/09/69/568770969.db2.gz BTFMFIONEZXLQD-UHFFFAOYSA-N 0 0 419.485 4.345 50 5 HIBARN Cc1cccc(NC(=O)c2ccccc2OCC(=O)Nc2cccc([N+](=O)[O-])c2)c1C ZINC000001125015 568771386 /nfs/dbraw/zinc/77/13/86/568771386.db2.gz MFSTWMHUXKTTDC-UHFFFAOYSA-N 0 0 419.437 4.481 50 5 HIBARN CCc1ccccc1NC(=O)c1ccccc1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000001136052 568773278 /nfs/dbraw/zinc/77/32/78/568773278.db2.gz UXUZBYAUSKBQJH-UHFFFAOYSA-N 0 0 410.451 4.242 50 5 HIBARN COc1ccc(C(=O)Nc2ccc(C(=O)OCc3ccc([N+](=O)[O-])cc3)cc2)cc1 ZINC000001136706 568773511 /nfs/dbraw/zinc/77/35/11/568773511.db2.gz RVGNAQNBNBYRPO-UHFFFAOYSA-N 0 0 406.394 4.213 50 5 HIBARN O=C(c1ccc(Oc2cccc(F)c2)cc1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000225608178 568775743 /nfs/dbraw/zinc/77/57/43/568775743.db2.gz NDPRBXIPTJARRG-UHFFFAOYSA-N 0 0 410.405 4.200 50 5 HIBARN O=C(Nc1cccc([N+](=O)[O-])c1)N[C@@]1(C(F)(F)F)Oc2ccc(Cl)cc2O1 ZINC000002494436 568776318 /nfs/dbraw/zinc/77/63/18/568776318.db2.gz UEDROQUUWVWZDG-HNNXBMFYSA-N 0 0 403.700 4.057 50 5 HIBARN O=C(Cn1nc(-c2cccc(Br)c2)oc1=S)c1ccc([N+](=O)[O-])cc1 ZINC000002597859 568785249 /nfs/dbraw/zinc/78/52/49/568785249.db2.gz ZRSKGQHWPIMTRM-UHFFFAOYSA-N 0 0 420.244 4.426 50 5 HIBARN O=[N+]([O-])c1cc(CSc2nnc(C3CC3)n2-c2ccccc2)c2c(c1)COCO2 ZINC000002623102 568788385 /nfs/dbraw/zinc/78/83/85/568788385.db2.gz RMWWVONYWPHNLN-UHFFFAOYSA-N 0 0 410.455 4.212 50 5 HIBARN Cc1c(NC(=O)COC(=O)c2ccccc2OCc2ccccc2)cccc1[N+](=O)[O-] ZINC000002652847 568796910 /nfs/dbraw/zinc/79/69/10/568796910.db2.gz LXVXJDOCRHBYAY-UHFFFAOYSA-N 0 0 420.421 4.278 50 5 HIBARN O=C(COC(=O)CCC1CCCC1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000002663266 568799785 /nfs/dbraw/zinc/79/97/85/568799785.db2.gz PYLRWGJIYGYNNK-UHFFFAOYSA-N 0 0 403.460 4.170 50 5 HIBARN CCOc1ccc([N+](=O)[O-])cc1[C@@H]1Nc2ccccc2-c2nnc(SC)nc2O1 ZINC000002749758 568806077 /nfs/dbraw/zinc/80/60/77/568806077.db2.gz CGCDTQVBXDFSPQ-QGZVFWFLSA-N 0 0 411.443 4.071 50 5 HIBARN Cc1nn(Cc2ccc(C(=O)NC3CCC(C(C)(C)C)CC3)o2)c(C)c1[N+](=O)[O-] ZINC000002782531 568808401 /nfs/dbraw/zinc/80/84/01/568808401.db2.gz ZBFSSMVWAHUUQD-UHFFFAOYSA-N 0 0 402.495 4.384 50 5 HIBARN COc1ccc(NC(=O)c2ccccc2Cn2nc(C)c([N+](=O)[O-])c2C)cc1Cl ZINC000002796610 568809606 /nfs/dbraw/zinc/80/96/06/568809606.db2.gz RXHDSGDWVUDMMW-UHFFFAOYSA-N 0 0 414.849 4.371 50 5 HIBARN O=C(Nc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000002816334 568812242 /nfs/dbraw/zinc/81/22/42/568812242.db2.gz SYIWZNRYEYUCNA-UHFFFAOYSA-N 0 0 406.354 4.008 50 5 HIBARN COCCn1c(SCc2cccc([N+](=O)[O-])c2)nnc1-c1ccc(Cl)cc1 ZINC000002837689 568812673 /nfs/dbraw/zinc/81/26/73/568812673.db2.gz YGZLTJCYARTBEL-UHFFFAOYSA-N 0 0 404.879 4.445 50 5 HIBARN CCOc1ccc(C(=O)Nc2ccc(NC(=O)Cc3ccccc3)cc2)cc1[N+](=O)[O-] ZINC000002884719 568814131 /nfs/dbraw/zinc/81/41/31/568814131.db2.gz PMWNANMIKNRHCN-UHFFFAOYSA-N 0 0 419.437 4.427 50 5 HIBARN O=C(NC(=S)Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1ccccc1[N+](=O)[O-] ZINC000001171521 568818800 /nfs/dbraw/zinc/81/88/00/568818800.db2.gz SHVADOOLPSEQBP-UHFFFAOYSA-N 0 0 417.450 4.265 50 5 HIBARN O=C(CSc1nnc(-c2ccco2)n1-c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000001182086 568821641 /nfs/dbraw/zinc/82/16/41/568821641.db2.gz REQKFNDARKIEKV-UHFFFAOYSA-N 0 0 406.423 4.411 50 5 HIBARN Cc1cc2nc3s/c(=C\c4ccc(-c5ccc([N+](=O)[O-])cc5)o4)c(=O)n3c2cc1C ZINC000001198390 568822634 /nfs/dbraw/zinc/82/26/34/568822634.db2.gz ZTUQPGQGWKQVRJ-JAIQZWGSSA-N 0 0 417.446 4.242 50 5 HIBARN CCOC(=O)c1c(NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)sc2c1C[C@H](C)CC2 ZINC000001204635 568823571 /nfs/dbraw/zinc/82/35/71/568823571.db2.gz DYFTVFJHLUMUDE-LLVKDONJSA-N 0 0 418.471 4.219 50 5 HIBARN CCC(=O)c1ccc(Oc2ccc(S(=O)(=O)N3CCCCC3)cc2[N+](=O)[O-])cc1 ZINC000005832459 568825082 /nfs/dbraw/zinc/82/50/82/568825082.db2.gz LVLZQBSXCDYEBU-UHFFFAOYSA-N 0 0 418.471 4.154 50 5 HIBARN Cc1ccc(C2=NN(C(=O)COc3ccc([N+](=O)[O-])cc3)[C@H](c3ccco3)C2)cc1 ZINC000005864529 568826888 /nfs/dbraw/zinc/82/68/88/568826888.db2.gz IUEPRLYPDHPSHM-FQEVSTJZSA-N 0 0 405.410 4.253 50 5 HIBARN O=[N+]([O-])c1ccc(CSc2nnc(-c3cccs3)n2C[C@@H]2CCCO2)cc1 ZINC000029738420 568828719 /nfs/dbraw/zinc/82/87/19/568828719.db2.gz CIPDUVYAWCZFIF-HNNXBMFYSA-N 0 0 402.501 4.386 50 5 HIBARN O=C(OCCOc1ccccc1Cl)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000005968670 568833010 /nfs/dbraw/zinc/83/30/10/568833010.db2.gz IVTPZQYLCCWOSY-UHFFFAOYSA-N 0 0 404.850 4.087 50 5 HIBARN Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(OCc3ccccc3)cc2)c([N+](=O)[O-])n1 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ZINC000012522498 132361674 /nfs/dbraw/zinc/36/16/74/132361674.db2.gz XNRWLHPWHGLOTR-UHFFFAOYSA-N 0 0 412.449 4.259 50 5 HIBARN CC(C)c1noc([C@H](C)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)n1 ZINC000012536326 132362179 /nfs/dbraw/zinc/36/21/79/132362179.db2.gz ZCWDCIMPQLUUFT-LBPRGKRZSA-N 0 0 413.400 4.003 50 5 HIBARN Cc1ccc(NC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)c(O)c1 ZINC000012553291 132363210 /nfs/dbraw/zinc/36/32/10/132363210.db2.gz SVSIKCVJOWXRFI-UHFFFAOYSA-N 0 0 423.391 4.483 50 5 HIBARN Cc1csc(N(C(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)c2ccccc2)n1 ZINC000012558313 132363929 /nfs/dbraw/zinc/36/39/29/132363929.db2.gz BKQQBIKYECELTQ-UHFFFAOYSA-N 0 0 424.482 4.175 50 5 HIBARN CCC(=O)Nc1cccc(NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)c1 ZINC000013608733 132458148 /nfs/dbraw/zinc/45/81/48/132458148.db2.gz LBCAIOHKUNSUFE-UHFFFAOYSA-N 0 0 410.474 4.432 50 5 HIBARN CCCCCN(C(=O)c1csc([N+](=O)[O-])c1)c1nc(C)c(C(=O)OCC)s1 ZINC000044400911 520146716 /nfs/dbraw/zinc/14/67/16/520146716.db2.gz 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O=[N+]([O-])c1cc(Br)ccc1N1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000032907712 527328376 /nfs/dbraw/zinc/32/83/76/527328376.db2.gz WYYJDNMLKXLXGD-CYBMUJFWSA-N 0 0 420.311 4.059 50 5 HIBARN O=c1c2ccccc2nc(Sc2ccc([N+](=O)[O-])cn2)n1-c1ccc(Cl)cc1 ZINC000032899377 527467494 /nfs/dbraw/zinc/46/74/94/527467494.db2.gz WFIANUBTQXZCDL-UHFFFAOYSA-N 0 0 410.842 4.494 50 5 HIBARN CC1=C(C(=O)Nc2cccc([N+](=O)[O-])c2)[C@H](c2ccc(Cl)c(Cl)c2)NC(=O)N1 ZINC000009402791 557117577 /nfs/dbraw/zinc/11/75/77/557117577.db2.gz IALJBJYUEMTSRB-INIZCTEOSA-N 0 0 421.240 4.168 50 5 HIBARN O=C(Cn1c2ccccc2c(=O)c2ccccc21)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000026363753 558659713 /nfs/dbraw/zinc/65/97/13/558659713.db2.gz SQGZWBXNCATBDW-LSDHHAIUSA-N 0 0 402.416 4.392 50 5 HIBARN CS(=O)(=O)c1ccc(N(CCc2ccc(Cl)cc2)CC2CC2)c([N+](=O)[O-])c1 ZINC000072286886 558717780 /nfs/dbraw/zinc/71/77/80/558717780.db2.gz MIKWBCWRXDEDTH-UHFFFAOYSA-N 0 0 408.907 4.111 50 5 HIBARN O=[N+]([O-])c1ccccc1S(=O)(=O)Oc1cc(C(F)(F)F)cc(C(F)(F)F)c1 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O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CCC(c2nc3ccccc3o2)CC1 ZINC000023534070 559176738 /nfs/dbraw/zinc/17/67/38/559176738.db2.gz UQZJDJKAWQWMMR-UHFFFAOYSA-N 0 0 406.442 4.330 50 5 HIBARN Cc1c(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cnn1-c1ccc(C(F)(F)F)cn1 ZINC000023680405 559179088 /nfs/dbraw/zinc/17/90/88/559179088.db2.gz DGLXPVWTRRZUDW-UHFFFAOYSA-N 0 0 405.336 4.063 50 5 HIBARN Cc1cccc(C(=O)N[C@@H](Oc2ccccc2[N+](=O)[O-])C(Cl)(Cl)Cl)c1 ZINC000005091967 559243452 /nfs/dbraw/zinc/24/34/52/559243452.db2.gz WFGUNFOHHSHTJP-HNNXBMFYSA-N 0 0 403.649 4.408 50 5 HIBARN Cc1cc(S(=O)(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)ccc1Br ZINC000005126979 559248773 /nfs/dbraw/zinc/24/87/73/559248773.db2.gz DQJGUIXEYJEXLN-UHFFFAOYSA-N 0 0 405.657 4.120 50 5 HIBARN Cc1ccc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c(Br)c1 ZINC000005150642 559253591 /nfs/dbraw/zinc/25/35/91/559253591.db2.gz MHTRDQDSPCHLTR-UHFFFAOYSA-N 0 0 405.657 4.120 50 5 HIBARN CC[C@@H](C)n1cnc2c(c3nc4ccccc4nc3n2Cc2ccc(F)cc2)c1=O ZINC000005151569 559253908 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HIBARN O=c1oc2cc(Cl)ccc2n1CN(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F ZINC000062581182 560631743 /nfs/dbraw/zinc/63/17/43/560631743.db2.gz ARIDTEFSPHMVSX-UHFFFAOYSA-N 0 0 415.755 4.178 50 5 HIBARN CCCn1nc(NC(=O)c2cccc([N+](=O)[O-])c2)c2cc3cc(OC)ccc3nc21 ZINC000017206489 560704006 /nfs/dbraw/zinc/70/40/06/560704006.db2.gz QGTSYIOSUWLRDW-UHFFFAOYSA-N 0 0 405.414 4.164 50 5 HIBARN CCCCOc1ccc(S(=O)(=O)N2CCS[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000017270977 560706593 /nfs/dbraw/zinc/70/65/93/560706593.db2.gz YZHZWTBXZFNDBH-LJQANCHMSA-N 0 0 422.528 4.210 50 5 HIBARN COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C(=O)c1ccc([N+](=O)[O-])o1)CC2 ZINC000024445038 560816956 /nfs/dbraw/zinc/81/69/56/560816956.db2.gz UFIHONUGDSBWIF-IBGZPJMESA-N 0 0 414.439 4.054 50 5 HIBARN CCCCN(CCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C(=O)c1ccc(C)cc1 ZINC000103068922 560837498 /nfs/dbraw/zinc/83/74/98/560837498.db2.gz RKTDICCHLXNVML-UHFFFAOYSA-N 0 0 408.458 4.438 50 5 HIBARN Cc1cc(C)c(OCC(=O)Nc2cccc(-c3nc4ncccc4o3)c2)c([N+](=O)[O-])c1 ZINC000000666753 568459996 /nfs/dbraw/zinc/45/99/96/568459996.db2.gz SPCPMPRSUIQOCM-UHFFFAOYSA-N 0 0 418.409 4.432 50 5 HIBARN O=C(Nc1nnc(-c2cccc([N+](=O)[O-])c2)s1)c1ccc(Br)cc1 ZINC000000806018 568487297 /nfs/dbraw/zinc/48/72/97/568487297.db2.gz LGFGXSWFTOCPPC-UHFFFAOYSA-N 0 0 405.233 4.128 50 5 HIBARN O=C(Cc1ccccc1)N[C@H](Oc1cccc([N+](=O)[O-])c1)C(Cl)(Cl)Cl ZINC000000833043 568501497 /nfs/dbraw/zinc/50/14/97/568501497.db2.gz LQTBXSUYGPMRRH-OAHLLOKOSA-N 0 0 403.649 4.029 50 5 HIBARN Cc1cccc(N[C@@H](NC(=O)c2ccccc2[N+](=O)[O-])C(Cl)(Cl)Cl)c1 ZINC000000837026 568515025 /nfs/dbraw/zinc/51/50/25/568515025.db2.gz MCBINBGRNISDNM-HNNXBMFYSA-N 0 0 402.665 4.441 50 5 HIBARN COc1ccccc1N1CCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)CC1 ZINC000020224106 568594739 /nfs/dbraw/zinc/59/47/39/568594739.db2.gz FDDRKNCIEYXGJX-UHFFFAOYSA-N 0 0 410.499 4.049 50 5 HIBARN Cc1ccc(S(=O)(=O)Nc2c(C)cc(Br)cc2Cl)cc1[N+](=O)[O-] ZINC000095944134 568661343 /nfs/dbraw/zinc/66/13/43/568661343.db2.gz SXJUBMXMPZCRGS-UHFFFAOYSA-N 0 0 419.684 4.428 50 5 HIBARN O=C(Nc1ccc2oc3ccccc3c(=O)c2c1)c1ccc(N2CCOCC2)cc1 ZINC000095983214 568675536 /nfs/dbraw/zinc/67/55/36/568675536.db2.gz YPIXMRIPWXGYHN-UHFFFAOYSA-N 0 0 400.434 4.035 50 5 HIBARN O=[N+]([O-])c1ccc([C@H]2SCCN2S(=O)(=O)c2ccc3ccccc3c2)cc1 ZINC000000855073 568711674 /nfs/dbraw/zinc/71/16/74/568711674.db2.gz RWFGLXUMRGIXKX-LJQANCHMSA-N 0 0 400.481 4.184 50 5 HIBARN COc1cccc2cc(-c3cc4c5cccc(OC)c5oc(=O)c4c(C)n3)c(=O)oc21 ZINC000000856325 568713187 /nfs/dbraw/zinc/71/31/87/568713187.db2.gz WPXNRWPKOAXWSV-UHFFFAOYSA-N 0 0 415.401 4.440 50 5 HIBARN CC(C)N(CCc1nc(-c2cccc([N+](=O)[O-])c2)no1)C(=O)CCc1ccccc1 ZINC000096277049 568715809 /nfs/dbraw/zinc/71/58/09/568715809.db2.gz VQTPFSCVFAZOIH-UHFFFAOYSA-N 0 0 408.458 4.057 50 5 HIBARN CC[C@@H](C)N(CCc1nc(-c2cccc([N+](=O)[O-])c2)no1)C(=O)c1ccc(C)cc1 ZINC000096277202 568715837 /nfs/dbraw/zinc/71/58/37/568715837.db2.gz OXIQMNXJRFZUPE-MRXNPFEDSA-N 0 0 408.458 4.437 50 5 HIBARN CC(C)CN(CCc1nc(-c2cccc([N+](=O)[O-])c2)no1)C(=O)/C=C/c1ccccc1 ZINC000096277213 568715869 /nfs/dbraw/zinc/71/58/69/568715869.db2.gz MQWKNNPDMIJJLA-VAWYXSNFSA-N 0 0 420.469 4.385 50 5 HIBARN CCCCN(CCc1nc(-c2cccc([N+](=O)[O-])c2)no1)C(=O)c1ccc(OC)cc1 ZINC000096277146 568715922 /nfs/dbraw/zinc/71/59/22/568715922.db2.gz SBFSIRYIQKLATC-UHFFFAOYSA-N 0 0 424.457 4.138 50 5 HIBARN CC[C@@H](C)[C@@H](NC(=O)c1ccc(OC)cc1)c1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000096277352 568716133 /nfs/dbraw/zinc/71/61/33/568716133.db2.gz YKXVRPDDVVWGFK-FZKQIMNGSA-N 0 0 410.430 4.171 50 5 HIBARN CC(C)N(CCc1nc(-c2cccc([N+](=O)[O-])c2)no1)C(=O)/C=C/c1ccccc1 ZINC000096278961 568717185 /nfs/dbraw/zinc/71/71/85/568717185.db2.gz DLERXBUTJKBMGY-VAWYXSNFSA-N 0 0 406.442 4.138 50 5 HIBARN Cc1ccc(C(C)C)c(OC(=O)CSc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])c1 ZINC000000959455 568758226 /nfs/dbraw/zinc/75/82/26/568758226.db2.gz IOMVSUYZORNGES-UHFFFAOYSA-N 0 0 423.512 4.128 50 5 HIBARN Cc1ccc(C(=O)COC(=O)c2ccccc2NC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000000990484 568759805 /nfs/dbraw/zinc/75/98/05/568759805.db2.gz HMWQMFZMYYNWET-UHFFFAOYSA-N 0 0 418.405 4.195 50 5 HIBARN O=C(NC(=S)Nc1ccc(Cl)cn1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000001076604 568765430 /nfs/dbraw/zinc/76/54/30/568765430.db2.gz JCPCBJRGLQYFPT-UHFFFAOYSA-N 0 0 402.819 4.030 50 5 HIBARN Cc1ccc(N2C(=O)c3oc4ccccc4c(=O)c3[C@@H]2c2cccc([N+](=O)[O-])c2)nc1 ZINC000001113132 568770570 /nfs/dbraw/zinc/77/05/70/568770570.db2.gz VDAIOZAVBQLKGS-FQEVSTJZSA-N 0 0 413.389 4.154 50 5 HIBARN CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2C)nnc1-c1cccc(C)c1 ZINC000001145997 568772511 /nfs/dbraw/zinc/77/25/11/568772511.db2.gz JSVRNMWIRSXSTN-UHFFFAOYSA-N 0 0 411.487 4.221 50 5 HIBARN COc1ccc(C(=O)Nc2cccc(C(=O)OCc3ccc([N+](=O)[O-])cc3)c2)cc1 ZINC000001129822 568772833 /nfs/dbraw/zinc/77/28/33/568772833.db2.gz ZFFUBOSSMKIUFP-UHFFFAOYSA-N 0 0 406.394 4.213 50 5 HIBARN O=C1NC(=Cc2cccn2-c2cccc([N+](=O)[O-])c2)C(=O)N1c1cccc(Cl)c1 ZINC000001133367 568773254 /nfs/dbraw/zinc/77/32/54/568773254.db2.gz YOXFJJSIAAOUDA-LDADJPATSA-N 0 0 408.801 4.136 50 5 HIBARN Cc1c(C(=O)OCc2ccc(S(=O)(=O)c3ccccc3)cc2)cccc1[N+](=O)[O-] ZINC000001132041 568773282 /nfs/dbraw/zinc/77/32/82/568773282.db2.gz GYUUSGQYLOQLIR-UHFFFAOYSA-N 0 0 411.435 4.093 50 5 HIBARN O=C(COC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000001155126 568774241 /nfs/dbraw/zinc/77/42/41/568774241.db2.gz HQKXXTVUFXWXKE-UHFFFAOYSA-N 0 0 422.368 4.026 50 5 HIBARN O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000001165690 568775770 /nfs/dbraw/zinc/77/57/70/568775770.db2.gz PNSVGZDSNSJICC-UHFFFAOYSA-N 0 0 416.842 4.333 50 5 HIBARN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000055553415 568779291 /nfs/dbraw/zinc/77/92/91/568779291.db2.gz OOEFWFRENSOJBD-AWEZNQCLSA-N 0 0 408.483 4.268 50 5 HIBARN CNc1ccc(C(=O)c2ccccc2C(=O)Nc2ccc(OC)cc2)cc1[N+](=O)[O-] ZINC000028266996 568783802 /nfs/dbraw/zinc/78/38/02/568783802.db2.gz NWROTPCZKUPHEQ-UHFFFAOYSA-N 0 0 405.410 4.128 50 5 HIBARN COc1ccc(CN2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cc1F ZINC000057270676 568825423 /nfs/dbraw/zinc/82/54/23/568825423.db2.gz JQPFWXVILJLROI-UHFFFAOYSA-N 0 0 413.371 4.084 50 5 HIBARN COc1ccc(CN2C(=O)c3ccccc3/C(=C\c3cccc([N+](=O)[O-])c3)C2=O)cc1 ZINC000057399581 568831798 /nfs/dbraw/zinc/83/17/98/568831798.db2.gz CLULEWXHBQDPKM-HYARGMPZSA-N 0 0 414.417 4.327 50 5 HIBARN COc1ccc(CSc2nnc(NC(=O)c3ccc(C)cc3)s2)cc1[N+](=O)[O-] ZINC000002999717 568836265 /nfs/dbraw/zinc/83/62/65/568836265.db2.gz OIINPUVVSSUKPJ-UHFFFAOYSA-N 0 0 416.484 4.308 50 5 HIBARN COc1cc(OC)cc([C@H](Nc2ccc([N+](=O)[O-])cc2Cl)c2nccn2C)c1 ZINC000012551369 568853594 /nfs/dbraw/zinc/85/35/94/568853594.db2.gz FTDRBDRGTUQJEU-SFHVURJKSA-N 0 0 402.838 4.200 50 5 HIBARN COCCNc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000012563349 568859177 /nfs/dbraw/zinc/85/91/77/568859177.db2.gz VRQYMOFJHPPTLM-NSHDSACASA-N 0 0 412.273 4.451 50 5 HIBARN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)c1cc(SC)ccc1Cl ZINC000003237792 568865768 /nfs/dbraw/zinc/86/57/68/568865768.db2.gz PGBHBMANXIYAEM-SNVBAGLBSA-N 0 0 424.862 4.163 50 5 HIBARN C[C@H](Oc1ncnc2cc([N+](=O)[O-])ccc21)C(=O)Nc1ccc(Cl)cc1Cl ZINC000003312788 568878645 /nfs/dbraw/zinc/87/86/45/568878645.db2.gz TVCDLENQGIHIGC-VIFPVBQESA-N 0 0 407.213 4.251 50 5 HIBARN COc1ccc(-n2nc3c(c2NC(=O)c2cccc([N+](=O)[O-])c2C)CSC3)cc1 ZINC000004079162 568882764 /nfs/dbraw/zinc/88/27/64/568882764.db2.gz SWKLHNFGKUZKMR-UHFFFAOYSA-N 0 0 410.455 4.097 50 5 HIBARN COc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)c1ccc(Oc2ccccc2)cc1 ZINC000058161273 568894358 /nfs/dbraw/zinc/89/43/58/568894358.db2.gz PNALXEMBZLYNAM-UHFFFAOYSA-N 0 0 407.426 4.471 50 5 HIBARN CC(C)(C)N(Cc1ccccc1)C(=O)COC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000003421659 568899987 /nfs/dbraw/zinc/89/99/87/568899987.db2.gz ZLNUXGMHJIOJDD-UHFFFAOYSA-N 0 0 404.850 4.232 50 5 HIBARN C[C@@H](OC(=O)CSCc1ccc(Cl)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000003432004 568902146 /nfs/dbraw/zinc/90/21/46/568902146.db2.gz AVRSZFCICBZRMJ-GFCCVEGCSA-N 0 0 408.863 4.052 50 5 HIBARN CC(C)(C)OC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl ZINC000012651178 568906423 /nfs/dbraw/zinc/90/64/23/568906423.db2.gz VXTIWYWNIJIHRQ-UHFFFAOYSA-N 0 0 420.849 4.359 50 5 HIBARN C[C@H](OC(=O)C1(c2ccc(F)cc2)CCCC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000003525379 568912463 /nfs/dbraw/zinc/91/24/63/568912463.db2.gz RSAPSPOJQWJEQW-AWEZNQCLSA-N 0 0 400.406 4.116 50 5 HIBARN O=C(Nc1ccccc1I)c1cc([N+](=O)[O-])ccc1Cl ZINC000003549411 568913785 /nfs/dbraw/zinc/91/37/85/568913785.db2.gz VRECWLXXFVXBMM-UHFFFAOYSA-N 0 0 402.575 4.105 50 5 HIBARN O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)cc1N[C@H]1CCCN(c2ncccn2)C1 ZINC000058407120 568916522 /nfs/dbraw/zinc/91/65/22/568916522.db2.gz LGHWFWOZQPHGHG-JTQLQIEISA-N 0 0 401.776 4.138 50 5 HIBARN Cc1cc([N+](=O)[O-])ccc1NC(=O)c1cc2cc(Br)ccc2oc1=O ZINC000004183628 568927613 /nfs/dbraw/zinc/92/76/13/568927613.db2.gz PIUKWKHHJAWLAW-UHFFFAOYSA-N 0 0 403.188 4.024 50 5 HIBARN CS(=O)(=O)c1ccc(C(=O)N[C@H](c2ccccc2)C2CCCCC2)cc1[N+](=O)[O-] ZINC000031799397 568931468 /nfs/dbraw/zinc/93/14/68/568931468.db2.gz KDAVNGJZRHXRLS-HXUWFJFHSA-N 0 0 416.499 4.050 50 5 HIBARN O=C(c1cccc([N+](=O)[O-])c1)N1CCN=C1SCc1cccc(C(F)(F)F)c1 ZINC000004120436 568944811 /nfs/dbraw/zinc/94/48/11/568944811.db2.gz OMFDQCJPZVEAND-UHFFFAOYSA-N 0 0 409.389 4.359 50 5 HIBARN Cc1cc(C(=O)Nc2ccc(F)c(-c3nnc4n3CCCCC4)c2)ccc1[N+](=O)[O-] ZINC000012776927 568955206 /nfs/dbraw/zinc/95/52/06/568955206.db2.gz QRVGYAAQTFXLCC-UHFFFAOYSA-N 0 0 409.421 4.280 50 5 HIBARN C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2 ZINC000012777123 568955517 /nfs/dbraw/zinc/95/55/17/568955517.db2.gz UPRNLPRKGGGJRN-CQSZACIVSA-N 0 0 408.433 4.242 50 5 HIBARN CC1(C)Cc2nc3sc(C(=O)Nc4ccc([N+](=O)[O-])cc4)c(N)c3cc2C(=O)C1 ZINC000004278981 568956809 /nfs/dbraw/zinc/95/68/09/568956809.db2.gz NZNPWQPFPLIVOQ-UHFFFAOYSA-N 0 0 410.455 4.194 50 5 HIBARN CCOC(=O)c1c(NC(=O)Nc2ccc(F)cc2)c2cc([N+](=O)[O-])ccc2n1C ZINC000004307691 568959931 /nfs/dbraw/zinc/95/99/31/568959931.db2.gz TVMSWYWQVWVODT-UHFFFAOYSA-N 0 0 400.366 4.046 50 5 HIBARN CN1CCc2c(sc3c2C(=O)N[C@H](c2ccc(-c4ccccc4[N+](=O)[O-])o2)N3)C1 ZINC000004311368 568960880 /nfs/dbraw/zinc/96/08/80/568960880.db2.gz HQTSRCLUXKOYLF-SFHVURJKSA-N 0 0 410.455 4.333 50 5 HIBARN O=C(Oc1ccc(Br)cc1Br)c1cccc([N+](=O)[O-])c1 ZINC000001444769 568968915 /nfs/dbraw/zinc/96/89/15/568968915.db2.gz FUNBWGYEUWBYJX-UHFFFAOYSA-N 0 0 401.010 4.339 50 5 HIBARN O=C(NC[C@H](c1ccco1)N1CCc2ccccc21)c1ccc([N+](=O)[O-])cc1Cl ZINC000004305117 568976938 /nfs/dbraw/zinc/97/69/38/568976938.db2.gz JJUWGKWHGKHGOG-LJQANCHMSA-N 0 0 411.845 4.375 50 5 HIBARN Cc1cccc(N[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2)C(Cl)(Cl)Cl)c1 ZINC000001452525 568986689 /nfs/dbraw/zinc/98/66/89/568986689.db2.gz KHAAMTBITQUKQP-HNNXBMFYSA-N 0 0 402.665 4.441 50 5 HIBARN Cc1cccc(NC(=O)CN(C)C(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c1C ZINC000008413487 569001810 /nfs/dbraw/zinc/00/18/10/569001810.db2.gz GVKPGQNQJVCMEO-UHFFFAOYSA-N 0 0 407.426 4.182 50 5 HIBARN O=C(Oc1ccc(/C=C2\N=C(c3ccccc3)OC2=O)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000008434763 569002892 /nfs/dbraw/zinc/00/28/92/569002892.db2.gz UFKKTENDATUZIG-ZHZULCJRSA-N 0 0 414.373 4.159 50 5 HIBARN CC[C@@H]1CCc2c(sc(NC(=O)c3ccc(Cl)cc3[N+](=O)[O-])c2C(N)=O)C1 ZINC000006119444 569005165 /nfs/dbraw/zinc/00/51/65/569005165.db2.gz QHNDXGCNLJYVPM-SECBINFHSA-N 0 0 407.879 4.176 50 5 HIBARN COc1ccc(CN(C)c2ccc(-c3nc(-c4cccnc4)no3)cc2[N+](=O)[O-])cc1 ZINC000015833840 569012758 /nfs/dbraw/zinc/01/27/58/569012758.db2.gz MXIDMMITSXPHBS-UHFFFAOYSA-N 0 0 417.425 4.352 50 5 HIBARN O=[N+]([O-])c1cc(S(=O)(=O)N2CCC[C@@H]2c2nc3ccccc3s2)ccc1Cl ZINC000012937730 569027910 /nfs/dbraw/zinc/02/79/10/569027910.db2.gz CWZYCBFZDDFUQH-CQSZACIVSA-N 0 0 423.903 4.384 50 5 HIBARN C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1 ZINC000012976821 569042388 /nfs/dbraw/zinc/04/23/88/569042388.db2.gz MWUHCWZGZYFWRH-IENJSVCTSA-N 0 0 421.497 4.066 50 5 HIBARN O=C(CCSc1ccc(F)cc1)OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000006431882 569050458 /nfs/dbraw/zinc/05/04/58/569050458.db2.gz OUNLNJGIQYDEIA-UHFFFAOYSA-N 0 0 403.391 4.010 50 5 HIBARN COc1ccc(-c2cc([N+](=O)[O-])ccc2OCC(=O)N2CCc3ccccc3C2)cc1 ZINC000006537312 569064413 /nfs/dbraw/zinc/06/44/13/569064413.db2.gz WCHSDEUVVGGYSP-UHFFFAOYSA-N 0 0 418.449 4.234 50 5 HIBARN O=[N+]([O-])c1ccc(S(=O)(=O)N(Cc2ccc(F)cc2F)c2ccc(F)cc2)cc1 ZINC000036247240 569116955 /nfs/dbraw/zinc/11/69/55/569116955.db2.gz HVFOAGVQXNTTHK-UHFFFAOYSA-N 0 0 422.384 4.408 50 5 HIBARN COc1ccc([C@@H]2c3cccn3CCCN2Cc2ccccc2[N+](=O)[O-])cc1OC ZINC000036347682 569144224 /nfs/dbraw/zinc/14/42/24/569144224.db2.gz ILYHKDDCFRTXHS-HSZRJFAPSA-N 0 0 407.470 4.409 50 5 HIBARN CSc1ccc(C(=O)OCc2cc(Cl)c3c(c2)OCCCO3)cc1[N+](=O)[O-] ZINC000006879087 569165213 /nfs/dbraw/zinc/16/52/13/569165213.db2.gz VXAUVXMGPVMIGE-UHFFFAOYSA-N 0 0 409.847 4.488 50 5 HIBARN C[C@H](NC(=O)COc1ccccc1[N+](=O)[O-])c1cccc(NC(=O)c2ccccc2)c1 ZINC000036395180 569168645 /nfs/dbraw/zinc/16/86/45/569168645.db2.gz PCGNWVOIRHLUBQ-INIZCTEOSA-N 0 0 419.437 4.103 50 5 HIBARN O=C(N[C@@H]1CCOc2ccccc21)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000006980064 569192601 /nfs/dbraw/zinc/19/26/01/569192601.db2.gz DQHZGEHEVBQUGF-LJQANCHMSA-N 0 0 403.438 4.461 50 5 HIBARN O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1NCc1ccc(Cl)cc1 ZINC000007238988 569230214 /nfs/dbraw/zinc/23/02/14/569230214.db2.gz ANEJTZZZEUNBGS-UHFFFAOYSA-N 0 0 409.895 4.035 50 5 HIBARN Cc1ccc(NC(=O)[C@]23CCC(=O)N2c2cc(Cl)ccc2S3)cc1[N+](=O)[O-] ZINC000065515192 569233207 /nfs/dbraw/zinc/23/32/07/569233207.db2.gz YSXSXLSWBSZTFT-GOSISDBHSA-N 0 0 403.847 4.124 50 5 HIBARN CCCCOc1ccc(CN2CCN(C(=O)Nc3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000013322763 569254857 /nfs/dbraw/zinc/25/48/57/569254857.db2.gz VLGXNDNCMNYKAH-UHFFFAOYSA-N 0 0 412.490 4.123 50 5 HIBARN COc1ccc2nc(-n3nc(C)cc3NC(=O)c3ccc([N+](=O)[O-])s3)sc2c1 ZINC000016851074 569266017 /nfs/dbraw/zinc/26/60/17/569266017.db2.gz DRWNXFOCCJJPSI-UHFFFAOYSA-N 0 0 415.456 4.021 50 5 HIBARN CC1=C(C(=O)OCC2CCCCC2)[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)CC(=O)N1 ZINC000017087526 569272958 /nfs/dbraw/zinc/27/29/58/569272958.db2.gz WEXTWIDLXOUFBM-OAHLLOKOSA-N 0 0 406.866 4.249 50 5 HIBARN CCCn1c(SCn2cc([N+](=O)[O-])cn2)nnc1-c1csc2c1CC[C@H](C)C2 ZINC000017091501 569274505 /nfs/dbraw/zinc/27/45/05/569274505.db2.gz UQDGMTLRYKLSND-LBPRGKRZSA-N 0 0 418.548 4.396 50 5 HIBARN O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1ccc(COc2ccccc2[N+](=O)[O-])o1 ZINC000002102008 569281277 /nfs/dbraw/zinc/28/12/77/569281277.db2.gz IILBZEFWYBGJBU-UHFFFAOYSA-N 0 0 401.306 4.066 50 5 HIBARN CCOC(=O)c1cc(C(=O)c2cccc([N+](=O)[O-])c2)n2cnc3ccc(Cl)cc3c12 ZINC000048544883 569358393 /nfs/dbraw/zinc/35/83/93/569358393.db2.gz PBEWCTAJSDPNEJ-UHFFFAOYSA-N 0 0 423.812 4.457 50 5 HIBARN CCCC(=O)Oc1ccc(/C=C2\N=C(c3cccc([N+](=O)[O-])c3)OC2=O)cc1OCC ZINC000002302907 569372240 /nfs/dbraw/zinc/37/22/40/569372240.db2.gz HETBVEDCILNKKN-BOPFTXTBSA-N 0 0 424.409 4.044 50 5 HIBARN O=c1c2c3nc4ccccc4nc3n(Cc3ccco3)c2ncn1CCc1ccccc1 ZINC000002312229 569373852 /nfs/dbraw/zinc/37/38/52/569373852.db2.gz MMLHLIZDCULVAA-UHFFFAOYSA-N 0 0 421.460 4.178 50 5 HIBARN COCCn1c(=O)c2c(=O)c3ccccc3oc2nc1-c1ccc(C(C)(C)C)cc1 ZINC000002328611 569375489 /nfs/dbraw/zinc/37/54/89/569375489.db2.gz JPIGIMDVYUWKJU-UHFFFAOYSA-N 0 0 404.466 4.114 50 5 HIBARN COc1ccc(C(=O)NC(=S)Nc2ccc3c(c2)Cc2ccccc2-3)cc1[N+](=O)[O-] ZINC000009246932 569391938 /nfs/dbraw/zinc/39/19/38/569391938.db2.gz CWIXQHBQJZAZDZ-UHFFFAOYSA-N 0 0 419.462 4.301 50 5 HIBARN O=C(Nc1cccc(OC2CCCC2)c1)c1cc([N+](=O)[O-])ncc1Br ZINC000225502871 569403614 /nfs/dbraw/zinc/40/36/14/569403614.db2.gz NYEHJDMENJJALM-UHFFFAOYSA-N 0 0 406.236 4.326 50 5 HIBARN COc1ccc([C@@H]2CCCCCN2CC(=O)Nc2ccc(F)cc2[N+](=O)[O-])cc1 ZINC000012999187 569406276 /nfs/dbraw/zinc/40/62/76/569406276.db2.gz QYPRNJORPZXCAO-IBGZPJMESA-N 0 0 401.438 4.298 50 5 HIBARN O=C(c1sc2nccc3c2c1nnn3Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000008837308 571123361 /nfs/dbraw/zinc/12/33/61/571123361.db2.gz NUDLUOTYTFXJQK-UHFFFAOYSA-N 0 0 415.434 4.229 50 5 HIBARN Cc1sc(C(=O)Nc2ccccc2C(=O)N2C[C@H](C)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000040090873 571160958 /nfs/dbraw/zinc/16/09/58/571160958.db2.gz MWMICPSMQDVZSK-BETUJISGSA-N 0 0 401.488 4.335 50 5 HIBARN CCCn1c(-c2ccncc2)nn(CN2c3ccc([N+](=O)[O-])cc3C[C@@H]2C)c1=S ZINC000040091172 571161221 /nfs/dbraw/zinc/16/12/21/571161221.db2.gz WPPSQZZZQGPEMD-AWEZNQCLSA-N 0 0 410.503 4.203 50 5 HIBARN CCn1c(SCCOc2cccc([N+](=O)[O-])c2)nnc1-c1ccc(OC)cc1 ZINC000040127442 571179355 /nfs/dbraw/zinc/17/93/55/571179355.db2.gz KVSPQTMIVNEBSE-UHFFFAOYSA-N 0 0 400.460 4.053 50 5 HIBARN Cc1noc2nc(-c3ccccc3F)cc(C(=O)NCc3ccccc3[N+](=O)[O-])c12 ZINC000040145523 571195735 /nfs/dbraw/zinc/19/57/35/571195735.db2.gz NPJMHCQPFFXBDL-UHFFFAOYSA-N 0 0 406.373 4.176 50 5 HIBARN CCc1cc(NCc2cc(OC)c(OC)cc2OC)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000040155609 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Cc1ccc(NC(=O)COC(=O)/C=C/c2ccc(Cl)cc2Cl)c([N+](=O)[O-])c1 ZINC000006999821 845234196 /nfs/dbraw/zinc/23/41/96/845234196.db2.gz MMYVPGZBXRQOJJ-QPJJXVBHSA-N 0 0 409.225 4.405 50 5 HIBARN C[C@@H]1CCc2c(sc3nc(COC(=O)/C=C/c4cccc([N+](=O)[O-])c4)nc(N)c32)C1 ZINC000009914503 845603541 /nfs/dbraw/zinc/60/35/41/845603541.db2.gz HIWASNJYBXPKEY-WAFBPQNNSA-N 0 0 424.482 4.063 50 5 HIBARN CCN(CC)S(=O)(=O)c1ccc(SC/C=C\c2ccccc2)c([N+](=O)[O-])c1 ZINC000033502257 848136980 /nfs/dbraw/zinc/13/69/80/848136980.db2.gz AYFFRGYQVNCBQZ-FLIBITNWSA-N 0 0 406.529 4.431 50 5 HIBARN C[C@@]12C[C@@H](NC(=S)N1c1ccc(Br)cc1)c1cc([N+](=O)[O-])ccc1O2 ZINC000002963703 132260844 /nfs/dbraw/zinc/26/08/44/132260844.db2.gz DUPFUIKZKPQPEC-RHSMWYFYSA-N 0 0 420.288 4.292 50 5 HIBARN CCOC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)N[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000003437745 132266087 /nfs/dbraw/zinc/26/60/87/132266087.db2.gz DLLVPWXQBBOKDE-GOSISDBHSA-N 0 0 415.833 4.356 50 5 HIBARN O=[N+]([O-])c1ccc(N2CCN(C(=S)Nc3ccc(Cl)c(Cl)c3)CC2)cc1 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Cc1sc(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)nc1-c1ccc(F)c(F)c1 ZINC000032722127 526883516 /nfs/dbraw/zinc/88/35/16/526883516.db2.gz PBOSPUZCGVULMJ-UHFFFAOYSA-N 0 0 419.365 4.286 50 5 HIBARN O=C(Cn1c2ccccc2c(=O)c2ccccc21)NC1CCC(C(F)(F)F)CC1 ZINC000032902210 527358745 /nfs/dbraw/zinc/35/87/45/527358745.db2.gz OYCSCGZXOVYGPM-UHFFFAOYSA-N 0 0 402.416 4.392 50 5 HIBARN O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc(-n2cccn2)cc1C(F)(F)F ZINC000032817226 527628560 /nfs/dbraw/zinc/62/85/60/527628560.db2.gz CFYJBVPUACPPQI-VMPITWQZSA-N 0 0 402.332 4.451 50 5 HIBARN CC(C)CN(CC(C)C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C)CC1 ZINC000004844961 535038188 /nfs/dbraw/zinc/03/81/88/535038188.db2.gz WALLFHIXCNKXKK-UHFFFAOYSA-N 0 0 411.568 4.134 50 5 HIBARN O=c1c2ccccc2oc2nc(-c3ccc(Cl)cc3)n(Cc3ccco3)c(=O)c12 ZINC000002323994 557687375 /nfs/dbraw/zinc/68/73/75/557687375.db2.gz CKMHUVSYEPDXNB-UHFFFAOYSA-N 0 0 404.809 4.465 50 5 HIBARN CNC(=O)c1c(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)sc2c1CCCC2 ZINC000004348785 558428318 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420.473 4.041 50 5 HIBARN COc1ccc(Br)cc1-c1nc(Cn2nc(C)c([N+](=O)[O-])c2C)cs1 ZINC000022986415 558825638 /nfs/dbraw/zinc/82/56/38/558825638.db2.gz VZUOAFIHQDSUFB-UHFFFAOYSA-N 0 0 423.292 4.351 50 5 HIBARN CC1(C)S[C@@H]2c3ccccc3C(=O)N2[C@@H]1C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000013731034 558860859 /nfs/dbraw/zinc/86/08/59/558860859.db2.gz QECQXNXPNVBIOD-CRAIPNDOSA-N 0 0 417.874 4.235 50 5 HIBARN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N(C)Cc2ccccc2C(F)(F)F)cc1C ZINC000060498744 558894688 /nfs/dbraw/zinc/89/46/88/558894688.db2.gz PLKNARTYCWSXJR-UHFFFAOYSA-N 0 0 402.394 4.051 50 5 HIBARN COc1cc(/C=C2/N=C(c3ccc4ccccc4c3)OC2=O)c([N+](=O)[O-])cc1OC ZINC000097987545 559002457 /nfs/dbraw/zinc/00/24/57/559002457.db2.gz NKHCPECHNABFOW-LICLKQGHSA-N 0 0 404.378 4.110 50 5 HIBARN CC(=O)Nc1ccc(Nc2cc(N3CCCCCC3)c3nonc3c2[N+](=O)[O-])cc1 ZINC000004754556 559048773 /nfs/dbraw/zinc/04/87/73/559048773.db2.gz MOWYEVIQUNTKFC-UHFFFAOYSA-N 0 0 410.434 4.213 50 5 HIBARN Cc1ccc(NC(=O)c2cc3cc(Br)ccc3oc2=O)c([N+](=O)[O-])c1 ZINC000004814996 559068922 /nfs/dbraw/zinc/06/89/22/559068922.db2.gz PJYWOJYMWWJJLA-UHFFFAOYSA-N 0 0 403.188 4.024 50 5 HIBARN Cc1ccc(NC(=O)COC(=O)C2(c3ccccc3F)CCCC2)c([N+](=O)[O-])c1 ZINC000004929077 559207405 /nfs/dbraw/zinc/20/74/05/559207405.db2.gz STZFVOPQVBPDIU-UHFFFAOYSA-N 0 0 400.406 4.036 50 5 HIBARN Cc1ccccc1C(=O)N[C@@H](Nc1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)Cl ZINC000005003362 559226528 /nfs/dbraw/zinc/22/65/28/559226528.db2.gz NYGCUVSYJJJYAI-OAHLLOKOSA-N 0 0 402.665 4.441 50 5 HIBARN Cc1cccc(NC(=O)/C(=C\c2ccccc2)NC(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000005061381 559239237 /nfs/dbraw/zinc/23/92/37/559239237.db2.gz JAIZFRYHQJVKNH-KGENOOAVSA-N 0 0 401.422 4.313 50 5 HIBARN O=C(NCCCNc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1Br ZINC000005074150 559240659 /nfs/dbraw/zinc/24/06/59/559240659.db2.gz FTYIIYAZQNDVKX-UHFFFAOYSA-N 0 0 412.671 4.243 50 5 HIBARN O=C(Nc1ccc([N+](=O)[O-])cc1)/C(=C\c1ccco1)NC(=O)c1ccccc1Cl ZINC000005101377 559245573 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CC(=O)c1cccc(NS(=O)(=O)c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)c1 ZINC000000797253 568478567 /nfs/dbraw/zinc/47/85/67/568478567.db2.gz PFGYNPFNBKVNPX-UHFFFAOYSA-N 0 0 412.423 4.391 50 5 HIBARN O=C(N/C(=C/c1ccc(Cl)cc1)C(=O)N1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000000825099 568497946 /nfs/dbraw/zinc/49/79/46/568497946.db2.gz ABWJQWLIMVYOHK-XMHGGMMESA-N 0 0 413.861 4.032 50 5 HIBARN Cc1ccccc1N[C@@H](NC(=O)c1ccccc1[N+](=O)[O-])C(Cl)(Cl)Cl ZINC000000837031 568515008 /nfs/dbraw/zinc/51/50/08/568515008.db2.gz NLSVHQIFEFIUAB-HNNXBMFYSA-N 0 0 402.665 4.441 50 5 HIBARN Cc1cccc(N[C@H](NC(=O)c2ccccc2[N+](=O)[O-])C(Cl)(Cl)Cl)c1 ZINC000000837025 568515056 /nfs/dbraw/zinc/51/50/56/568515056.db2.gz MCBINBGRNISDNM-OAHLLOKOSA-N 0 0 402.665 4.441 50 5 HIBARN Cc1c(Cc2ccccc2)sc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)c1C(N)=O ZINC000000840974 568523802 /nfs/dbraw/zinc/52/38/02/568523802.db2.gz DEKXWIOLYDXAJE-ZHACJKMWSA-N 0 0 421.478 4.306 50 5 HIBARN Cn1ccnc1[C@@H](CCc1ccccc1)OC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000095443345 568611132 /nfs/dbraw/zinc/61/11/32/568611132.db2.gz GYMZVWQWAQNLHP-OAQYLSRUSA-N 0 0 418.453 4.269 50 5 HIBARN Cc1ccc(-n2nc(C(=O)N3CCc4cc(C)c([N+](=O)[O-])cc43)c3c2CCC3)cc1 ZINC000095459645 568619833 /nfs/dbraw/zinc/61/98/33/568619833.db2.gz GZSWJZOKDHLALO-UHFFFAOYSA-N 0 0 402.454 4.089 50 5 HIBARN COc1ccccc1N1CCN(c2ccc(-c3nc(C(C)C)no3)cc2[N+](=O)[O-])CC1 ZINC000020898148 568649352 /nfs/dbraw/zinc/64/93/52/568649352.db2.gz TURRIFXGHDLMSD-UHFFFAOYSA-N 0 0 423.473 4.103 50 5 HIBARN COc1ccc(-c2noc(-c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)n2)cc1OC ZINC000020897766 568649409 /nfs/dbraw/zinc/64/94/09/568649409.db2.gz ZXWDFUDOJALKNU-UHFFFAOYSA-N 0 0 410.430 4.319 50 5 HIBARN O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000021004247 568657380 /nfs/dbraw/zinc/65/73/80/568657380.db2.gz OSAQVJHRBKLFIE-UHFFFAOYSA-N 0 0 401.466 4.142 50 5 HIBARN CC(=O)N1N=C(c2ccccc2OCc2ccccc2)O[C@H]1c1ccccc1[N+](=O)[O-] ZINC000021092073 568664209 /nfs/dbraw/zinc/66/42/09/568664209.db2.gz LKANFWYTUPYZQZ-QHCPKHFHSA-N 0 0 417.421 4.413 50 5 HIBARN CC1=Nc2c(c(=O)[nH]n2[C@@H]2CCOC(C)(C)C2)[C@@H](c2cccc([N+](=O)[O-])c2)S1 ZINC000096117537 568696963 /nfs/dbraw/zinc/69/69/63/568696963.db2.gz QQVIJTLARTUFNZ-GDBMZVCRSA-N 0 0 402.476 4.101 50 5 HIBARN O=C(CN(C(=O)c1ccco1)C1CCCCC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000853513 568711918 /nfs/dbraw/zinc/71/19/18/568711918.db2.gz BJLWOVPYLZDWFK-UHFFFAOYSA-N 0 0 405.838 4.255 50 5 HIBARN COCCNC(=O)C[C@H](c1c[nH]c2ccc([N+](=O)[O-])cc21)c1cccc(Cl)c1 ZINC000096276307 568715003 /nfs/dbraw/zinc/71/50/03/568715003.db2.gz ZWEWHONVOHQADI-INIZCTEOSA-N 0 0 401.850 4.014 50 5 HIBARN CC[C@@H](C)N(CCc1nc(-c2cccc([N+](=O)[O-])c2)no1)C(=O)c1cccs1 ZINC000096276968 568715582 /nfs/dbraw/zinc/71/55/82/568715582.db2.gz SQZJQOIMKOCJAM-CYBMUJFWSA-N 0 0 400.460 4.190 50 5 HIBARN CCCCN(CCc1nc(-c2cccc([N+](=O)[O-])c2)no1)C(=O)CCc1ccccc1 ZINC000096276952 568715591 /nfs/dbraw/zinc/71/55/91/568715591.db2.gz PPLQGYAKXORLCG-UHFFFAOYSA-N 0 0 422.485 4.449 50 5 HIBARN CCCN(CCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C(=O)/C=C/c1ccccc1 ZINC000096277796 568716107 /nfs/dbraw/zinc/71/61/07/568716107.db2.gz OFQVODLHVLDQQW-MDWZMJQESA-N 0 0 406.442 4.139 50 5 HIBARN O=C(C1CCC1)N(CCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)Cc1ccccc1 ZINC000096278044 568716385 /nfs/dbraw/zinc/71/63/85/568716385.db2.gz UZWRRQNAJRSEJB-UHFFFAOYSA-N 0 0 406.442 4.016 50 5 HIBARN Cn1cc([C@H](CC(=O)NCc2ccncc2)c2cccc([N+](=O)[O-])c2)c2ccccc21 ZINC000096277872 568716465 /nfs/dbraw/zinc/71/64/65/568716465.db2.gz UNEVWRAYILMXIJ-OAQYLSRUSA-N 0 0 414.465 4.320 50 5 HIBARN CC[C@@H](C)N(CCc1nc(-c2cccc(OC)c2)no1)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000096293513 568721833 /nfs/dbraw/zinc/72/18/33/568721833.db2.gz MJHSKAVFZQJAKA-OAHLLOKOSA-N 0 0 424.457 4.137 50 5 HIBARN Cc1cc(I)ccc1NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000000940158 568752895 /nfs/dbraw/zinc/75/28/95/568752895.db2.gz YDVMJYQFKPJPBA-VMPITWQZSA-N 0 0 408.195 4.160 50 5 HIBARN COC(=O)c1c(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)sc2c1CC[C@@H](C)C2 ZINC000000943828 568752938 /nfs/dbraw/zinc/75/29/38/568752938.db2.gz HBKOIIWGNYOZEO-YPUOHESYSA-N 0 0 400.456 4.220 50 5 HIBARN NC(=O)c1c(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])sc2c1CCCCCC2 ZINC000000997024 568759982 /nfs/dbraw/zinc/75/99/82/568759982.db2.gz ZQPJDKSPXZPMMM-UHFFFAOYSA-N 0 0 407.879 4.320 50 5 HIBARN CCOC(=O)[C@H](C)Oc1ccc(C)c(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000001042269 568764391 /nfs/dbraw/zinc/76/43/91/568764391.db2.gz QGWDYCIXCQCUKX-LBPRGKRZSA-N 0 0 406.822 4.139 50 5 HIBARN CCc1c(C)sc(NC(=O)c2ccccc2[N+](=O)[O-])c1C(=O)NCc1cccnc1 ZINC000001055552 568765087 /nfs/dbraw/zinc/76/50/87/568765087.db2.gz HJAUMWLHPQNZNE-UHFFFAOYSA-N 0 0 424.482 4.104 50 5 HIBARN COc1ccccc1[C@H]1[C@@H](Oc2ccccc2C)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000001076920 568765353 /nfs/dbraw/zinc/76/53/53/568765353.db2.gz OEJIPJWIPVGUBW-FCHUYYIVSA-N 0 0 404.422 4.447 50 5 HIBARN COc1ccc(C(=O)COc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1 ZINC000001110325 568770390 /nfs/dbraw/zinc/77/03/90/568770390.db2.gz FRZDMPCAJRGHTR-UHFFFAOYSA-N 0 0 406.394 4.117 50 5 HIBARN Cc1ccc(-n2c(=O)c3c(nc2SCc2ccc([N+](=O)[O-])cc2)CCS3)cc1 ZINC000002459467 568771506 /nfs/dbraw/zinc/77/15/06/568771506.db2.gz KYJHSLCATIAQCG-UHFFFAOYSA-N 0 0 411.508 4.390 50 5 HIBARN COc1ccc(C(=O)Nc2ccc(C(=O)OCc3cccc([N+](=O)[O-])c3)cc2)cc1 ZINC000001136158 568773535 /nfs/dbraw/zinc/77/35/35/568773535.db2.gz BPCKRLHWVMLTCQ-UHFFFAOYSA-N 0 0 406.394 4.213 50 5 HIBARN O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccc(Br)o1)c1ccccn1 ZINC000028286826 568783933 /nfs/dbraw/zinc/78/39/33/568783933.db2.gz RTGHVKIWWIGDMV-UHFFFAOYSA-N 0 0 402.204 4.192 50 5 HIBARN Cc1cc(C(=O)COc2ccc([N+](=O)[O-])cc2)c(C)n1C[C@@H]1COc2ccccc2O1 ZINC000002644910 568794790 /nfs/dbraw/zinc/79/47/90/568794790.db2.gz CJOXWBOLQYCVDQ-LJQANCHMSA-N 0 0 422.437 4.115 50 5 HIBARN COc1ccc2nc(NC(=O)c3ccccc3Cn3nc([N+](=O)[O-])cc3C)sc2c1 ZINC000002795651 568810454 /nfs/dbraw/zinc/81/04/54/568810454.db2.gz WCFOFSAGBHUQGG-UHFFFAOYSA-N 0 0 423.454 4.019 50 5 HIBARN Cc1cc([N+](=O)[O-])nn1Cc1ccc(-c2nc3c4c(C)c(C)sc4ncn3n2)cc1 ZINC000002808085 568811756 /nfs/dbraw/zinc/81/17/56/568811756.db2.gz VTENJKSPWHDTNV-UHFFFAOYSA-N 0 0 419.470 4.084 50 5 HIBARN COC(=O)c1c2c(sc1NC(=O)CSCc1ccc([N+](=O)[O-])cc1)CCCC2 ZINC000002837766 568812662 /nfs/dbraw/zinc/81/26/62/568812662.db2.gz LMCCBUWATCUOJW-UHFFFAOYSA-N 0 0 420.512 4.194 50 5 HIBARN CCOc1ccc(C(=O)NC(=S)Nc2ccc3c4c(cccc42)CC3)cc1[N+](=O)[O-] ZINC000001171475 568818808 /nfs/dbraw/zinc/81/88/08/568818808.db2.gz BWHWUHJVBJIIOB-UHFFFAOYSA-N 0 0 421.478 4.372 50 5 HIBARN O=C(Sc1nnc(-c2cccc(Br)c2)o1)c1ccc([N+](=O)[O-])cc1 ZINC000001212549 568824674 /nfs/dbraw/zinc/82/46/74/568824674.db2.gz PDCAPMBBJLLDSD-UHFFFAOYSA-N 0 0 406.217 4.340 50 5 HIBARN Cc1ccc(C2=NN(C(=O)COc3ccc([N+](=O)[O-])cc3)[C@@H](c3ccco3)C2)cc1 ZINC000005864534 568826809 /nfs/dbraw/zinc/82/68/09/568826809.db2.gz IUEPRLYPDHPSHM-HXUWFJFHSA-N 0 0 405.410 4.253 50 5 HIBARN C[C@@H]1CCCN(c2ccc(C(=O)OCC(=O)c3c[nH]c4ccccc34)cc2[N+](=O)[O-])C1 ZINC000005986441 568834217 /nfs/dbraw/zinc/83/42/17/568834217.db2.gz DUXFYIDXMQBAPP-OAHLLOKOSA-N 0 0 421.453 4.352 50 5 HIBARN O=C(Cn1c2ccccc2c(=O)c2ccccc21)NCc1cccc(C(F)(F)F)c1 ZINC000012527297 568843638 /nfs/dbraw/zinc/84/36/38/568843638.db2.gz CYKNZVXOSMZWMP-UHFFFAOYSA-N 0 0 410.395 4.490 50 5 HIBARN O=[N+]([O-])c1ccc(N2CCCN(c3ccc(C(F)(F)F)cn3)CC2)c2ccncc21 ZINC000012557629 568856442 /nfs/dbraw/zinc/85/64/42/568856442.db2.gz KZMQDSOXEYFYRX-UHFFFAOYSA-N 0 0 417.391 4.274 50 5 HIBARN COc1cc(C(=O)Nc2ccc(-n3cnc4ccccc43)cc2)c([N+](=O)[O-])cc1OC ZINC000012597900 568869386 /nfs/dbraw/zinc/86/93/86/568869386.db2.gz SEZNXSISIFDNGF-UHFFFAOYSA-N 0 0 418.409 4.203 50 5 HIBARN COc1ccc(-c2csc3ncnc(NC[C@@H](O)c4ccc([N+](=O)[O-])cc4)c23)cc1 ZINC000012615446 568872034 /nfs/dbraw/zinc/87/20/34/568872034.db2.gz CLEBZVVAVJWGFX-GOSISDBHSA-N 0 0 422.466 4.421 50 5 HIBARN CCc1ccc(-c2nc(S[C@H](C)C(=O)Nc3ccc(F)c([N+](=O)[O-])c3)n[nH]2)cc1 ZINC000012620253 568872494 /nfs/dbraw/zinc/87/24/94/568872494.db2.gz CAXFYWSZNOBVOE-LLVKDONJSA-N 0 0 415.450 4.201 50 5 HIBARN CC(=O)Oc1ccc(C(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)cc1-c1ccccc1 ZINC000001233142 568877416 /nfs/dbraw/zinc/87/74/16/568877416.db2.gz YTEZHDSWGDZZAI-UHFFFAOYSA-N 0 0 419.389 4.227 50 5 HIBARN O=C(CSc1ccc(-c2ccc(F)cc2)nn1)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000005410616 568877437 /nfs/dbraw/zinc/87/74/37/568877437.db2.gz QNLYYMZIQOIBIX-UHFFFAOYSA-N 0 0 402.382 4.061 50 5 HIBARN CC(C)c1cc(C(=O)N2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)c2ccccc2n1 ZINC000058024839 568877869 /nfs/dbraw/zinc/87/78/69/568877869.db2.gz IPRVMHLHGXAVSG-UHFFFAOYSA-N 0 0 418.497 4.224 50 5 HIBARN Cc1cc(C)c(-c2csc(NC(=O)COC(=O)c3ccc([N+](=O)[O-])o3)n2)c(C)c1 ZINC000003339881 568883501 /nfs/dbraw/zinc/88/35/01/568883501.db2.gz RYDDSAZOZGAQQB-UHFFFAOYSA-N 0 0 415.427 4.032 50 5 HIBARN C[C@H](OC(=O)c1ccc(Sc2ccccc2)c([N+](=O)[O-])c1)C(=O)NC1CCCC1 ZINC000003367459 568889261 /nfs/dbraw/zinc/88/92/61/568889261.db2.gz PRMSYUNZBCCGHW-AWEZNQCLSA-N 0 0 414.483 4.350 50 5 HIBARN O=C(COC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)NCc1ccc(Cl)cc1Cl ZINC000003504890 568910836 /nfs/dbraw/zinc/91/08/36/568910836.db2.gz VGFHGLCMACFDTQ-UHFFFAOYSA-N 0 0 417.632 4.028 50 5 HIBARN C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)c1cnc2c(cnn2Cc2ccccc2)c1 ZINC000025835320 568922821 /nfs/dbraw/zinc/92/28/21/568922821.db2.gz MGRINVDJGBHUJC-MRXNPFEDSA-N 0 0 415.453 4.221 50 5 HIBARN O=C(Cn1nc(-c2cccc(Br)c2)oc1=S)c1cccc([N+](=O)[O-])c1 ZINC000001440074 568940029 /nfs/dbraw/zinc/94/00/29/568940029.db2.gz WOLXHHRIAYIULO-UHFFFAOYSA-N 0 0 420.244 4.426 50 5 HIBARN O=C1c2ccccc2N[C@H](c2cccn2-c2ccc([N+](=O)[O-])cc2)N1C[C@H]1CCCO1 ZINC000015504216 568940112 /nfs/dbraw/zinc/94/01/12/568940112.db2.gz RKSSJYOOHYCKOB-GCJKJVERSA-N 0 0 418.453 4.131 50 5 HIBARN Cc1cc(C(=O)NC(=S)Nc2ccc(Cc3ccncc3)cc2)ccc1[N+](=O)[O-] ZINC000004090464 568942041 /nfs/dbraw/zinc/94/20/41/568942041.db2.gz MJVYCVQYLWCBSE-UHFFFAOYSA-N 0 0 406.467 4.016 50 5 HIBARN O=C(Nc1ccc([N+](=O)[O-])cc1)c1cc(Br)ccc1Br ZINC000004128052 568944586 /nfs/dbraw/zinc/94/45/86/568944586.db2.gz MUEKIRIUUIUONA-UHFFFAOYSA-N 0 0 400.026 4.372 50 5 HIBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCCCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000004195888 568950306 /nfs/dbraw/zinc/95/03/06/568950306.db2.gz XNNWJNMJOQUACB-UHFFFAOYSA-N 0 0 414.418 4.257 50 5 HIBARN Nc1nc(N[C@@H](c2ccccc2)c2ccc(Br)cc2F)ncc1[N+](=O)[O-] ZINC000084522653 568950310 /nfs/dbraw/zinc/95/03/10/568950310.db2.gz LQZKBVADIHARKX-HNNXBMFYSA-N 0 0 418.226 4.070 50 5 HIBARN O=C1OC(c2cc([N+](=O)[O-])ccc2Cl)=N/C1=C\c1ccccc1Br ZINC000001435302 568951289 /nfs/dbraw/zinc/95/12/89/568951289.db2.gz NXWYZSBKWQIQKH-AUWJEWJLSA-N 0 0 407.607 4.355 50 5 HIBARN COc1ccc(OCC(=O)N2c3ccccc3CCc3ccccc32)c([N+](=O)[O-])c1 ZINC000012780526 568957586 /nfs/dbraw/zinc/95/75/86/568957586.db2.gz YXNRZNCNCFOXBL-UHFFFAOYSA-N 0 0 404.422 4.446 50 5 HIBARN CCCOc1cc(NC(=O)Cc2ccccc2OC)c([N+](=O)[O-])cc1OCCC ZINC000007990380 568966884 /nfs/dbraw/zinc/96/68/84/568966884.db2.gz GEUJHKSRQCLNNO-UHFFFAOYSA-N 0 0 402.447 4.362 50 5 HIBARN COc1ccc(CCNC(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)cc1 ZINC000001453677 568986120 /nfs/dbraw/zinc/98/61/20/568986120.db2.gz RFHDIJOOSVWXAF-UHFFFAOYSA-N 0 0 400.818 4.489 50 5 HIBARN CCOC(=O)c1cc(C(=O)N(C)[C@H](C)c2nc3ccccc3s2)cc([N+](=O)[O-])c1 ZINC000008347353 568994886 /nfs/dbraw/zinc/99/48/86/568994886.db2.gz SAEBGXJFNXRMEV-GFCCVEGCSA-N 0 0 413.455 4.214 50 5 HIBARN O=C(COc1cc(F)ccc1[N+](=O)[O-])N[C@H](c1cccs1)c1ccc(F)cc1 ZINC000008469864 569004287 /nfs/dbraw/zinc/00/42/87/569004287.db2.gz OITHVWMFDYCLLU-IBGZPJMESA-N 0 0 404.394 4.219 50 5 HIBARN Cc1ccn2cc(-c3cccc(NS(=O)(=O)c4cc([N+](=O)[O-])ccc4C)c3)nc2c1 ZINC000016361910 569032247 /nfs/dbraw/zinc/03/22/47/569032247.db2.gz ASEVGOMAZADPSC-UHFFFAOYSA-N 0 0 422.466 4.327 50 5 HIBARN Cc1ccccc1-n1nnnc1[C@@H](c1ccccc1)N(C)Cc1cccc([N+](=O)[O-])c1 ZINC000035337444 569033105 /nfs/dbraw/zinc/03/31/05/569033105.db2.gz FJJDHSGTEYWKLS-JOCHJYFZSA-N 0 0 414.469 4.100 50 5 HIBARN C[C@@H]1CN([C@@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)C[C@H](C)O1 ZINC000016443987 569051124 /nfs/dbraw/zinc/05/11/24/569051124.db2.gz VFUIPPGONZCIQD-BIENJYKASA-N 0 0 403.866 4.037 50 5 HIBARN CCOc1ccccc1-c1nc(SCc2ccc(OCC)c([N+](=O)[O-])c2)n[nH]1 ZINC000006573754 569066685 /nfs/dbraw/zinc/06/66/85/569066685.db2.gz NAEXIJGNQVBQAG-UHFFFAOYSA-N 0 0 400.460 4.470 50 5 HIBARN Cc1cccc(N(Cc2cccc(F)c2)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000036247324 569116951 /nfs/dbraw/zinc/11/69/51/569116951.db2.gz WKYCBNPXXHVSEB-UHFFFAOYSA-N 0 0 400.431 4.438 50 5 HIBARN COc1cccc(N(Cc2ccccc2C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000036247366 569117001 /nfs/dbraw/zinc/11/70/01/569117001.db2.gz TWGSNWKDZKPCKG-UHFFFAOYSA-N 0 0 412.467 4.307 50 5 HIBARN CCn1c(SCC(=O)Nc2ccccc2[N+](=O)[O-])nnc1-c1ccc(Cl)cc1 ZINC000006878455 569161593 /nfs/dbraw/zinc/16/15/93/569161593.db2.gz NAJXTAVJEPPUBU-UHFFFAOYSA-N 0 0 417.878 4.257 50 5 HIBARN COc1ccc(-c2nn(-c3ccccc3)cc2Cn2nc(C)c([N+](=O)[O-])c2C)cc1 ZINC000007061847 569216968 /nfs/dbraw/zinc/21/69/68/569216968.db2.gz IYVYNJDHPJDFED-UHFFFAOYSA-N 0 0 403.442 4.318 50 5 HIBARN Cc1ccc(C)c(Cn2cc(C(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)ccc2=O)c1 ZINC000007574282 569266622 /nfs/dbraw/zinc/26/66/22/569266622.db2.gz DTJIPPSRPVJCOV-UHFFFAOYSA-N 0 0 411.845 4.327 50 5 HIBARN CCCn1cnc2c(c3nc4ccccc4nc3n2Cc2ccccc2Cl)c1=O ZINC000002210384 569306828 /nfs/dbraw/zinc/30/68/28/569306828.db2.gz UTZBEWUNMBYANU-UHFFFAOYSA-N 0 0 403.873 4.406 50 5 HIBARN Cc1cc2nc3sc(=Cc4ccc(-c5ccccc5[N+](=O)[O-])o4)c(=O)n3c2cc1C ZINC000252671236 569319396 /nfs/dbraw/zinc/31/93/96/569319396.db2.gz NBJDSVUWXWPOPY-UHFFFAOYSA-N 0 0 417.446 4.242 50 5 HIBARN Cn1c2ccccc2c(=O)c(-c2cccs2)c1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000002327406 569375018 /nfs/dbraw/zinc/37/50/18/569375018.db2.gz CJMMPWIMNDWPNB-UHFFFAOYSA-N 0 0 405.435 4.428 50 5 HIBARN CCCCCc1nc2c(c(=O)c3ccccc3n2C)c(=O)n1Cc1ccc(OC)cc1 ZINC000002352319 569383095 /nfs/dbraw/zinc/38/30/95/569383095.db2.gz KMHRCGRJBDAFRQ-UHFFFAOYSA-N 0 0 417.509 4.038 50 5 HIBARN CC(C)CCn1cnc2c(c3nc4ccccc4nc3n2-c2ccc(F)cc2)c1=O ZINC000002368278 569388487 /nfs/dbraw/zinc/38/84/87/569388487.db2.gz SGRFGQTZSNNSCC-UHFFFAOYSA-N 0 0 401.445 4.469 50 5 HIBARN O=C(CSc1nnc(-c2ccco2)n1-c1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000008853946 569390443 /nfs/dbraw/zinc/39/04/43/569390443.db2.gz ZALRTEQKCKQROC-UHFFFAOYSA-N 0 0 421.438 4.166 50 5 HIBARN Cc1cccn2cc(-c3cccc(NS(=O)(=O)c4ccc(C)c([N+](=O)[O-])c4)c3)nc12 ZINC000008833838 569390527 /nfs/dbraw/zinc/39/05/27/569390527.db2.gz QAJJDQFHJQBBHL-UHFFFAOYSA-N 0 0 422.466 4.327 50 5 HIBARN O=C(CSc1ccc([N+](=O)[O-])cn1)Nc1ccc(Br)c(Cl)c1 ZINC000009235373 569391968 /nfs/dbraw/zinc/39/19/68/569391968.db2.gz KMDMQBPSNMRDIC-UHFFFAOYSA-N 0 0 402.657 4.137 50 5 HIBARN Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1C ZINC000009305409 569392209 /nfs/dbraw/zinc/39/22/09/569392209.db2.gz JDKJOUBQDWIKEN-UHFFFAOYSA-N 0 0 417.878 4.083 50 5 HIBARN CCOCCCn1c(C)nc2c(c3nc4ccccc4nc3n2-c2ccccc2)c1=O ZINC000002408887 569396411 /nfs/dbraw/zinc/39/64/11/569396411.db2.gz QPTNCDLKCKLCIB-UHFFFAOYSA-N 0 0 413.481 4.019 50 5 HIBARN CC[C@H](C)n1cnc2c(c3nc4ccccc4nc3n2Cc2ccccc2OC)c1=O ZINC000002408926 569396480 /nfs/dbraw/zinc/39/64/80/569396480.db2.gz AKHQSQBHCZIWSU-HNNXBMFYSA-N 0 0 413.481 4.322 50 5 HIBARN O=[N+]([O-])c1ccc(N2CCN(Cc3ccc(OCc4ccccc4)cc3)CC2)cc1 ZINC000055292310 569398943 /nfs/dbraw/zinc/39/89/43/569398943.db2.gz INGDLTQFIFHEOG-UHFFFAOYSA-N 0 0 403.482 4.496 50 5 HIBARN CN(C(=O)c1ccccc1NC(=O)COc1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000012137547 569399659 /nfs/dbraw/zinc/39/96/59/569399659.db2.gz SZZVTSQCEAPWQK-UHFFFAOYSA-N 0 0 411.458 4.017 50 5 HIBARN CC12c3ccccc3C(C)(c3ccccc31)[C@H]1C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@H]12 ZINC000012402620 569400882 /nfs/dbraw/zinc/40/08/82/569400882.db2.gz RQFRHMUEMJAHKF-PJYWLYPCSA-N 0 0 424.456 4.340 50 5 HIBARN COc1ccc(S(=O)(=O)N[C@@H](c2cccs2)c2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000012977611 569405755 /nfs/dbraw/zinc/40/57/55/569405755.db2.gz FSADRTOGFAJDDC-LJQANCHMSA-N 0 0 418.496 4.041 50 5 HIBARN O=C(c1cccc([N+](=O)[O-])c1)N1CC(=O)Nc2ccc(Cl)cc2[C@@H]1c1ccccc1 ZINC000013375919 569413139 /nfs/dbraw/zinc/41/31/39/569413139.db2.gz BJBGMULYKHNDEH-NRFANRHFSA-N 0 0 421.840 4.432 50 5 HIBARN CC1(C)CO[C@@H](c2ccccc2Cl)CN1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000078806225 569420557 /nfs/dbraw/zinc/42/05/57/569420557.db2.gz GYDFYQHFDZDSIB-GOSISDBHSA-N 0 0 403.866 4.039 50 5 HIBARN Cc1cc2nn(-c3ccc(F)cc3)nc2cc1NC(=O)c1cccc([N+](=O)[O-])c1C ZINC000008590957 571085938 /nfs/dbraw/zinc/08/59/38/571085938.db2.gz LSYURDRBPOTHNK-UHFFFAOYSA-N 0 0 405.389 4.337 50 5 HIBARN Cc1ccc(C(=O)N2CC(=O)Nc3ccc(F)cc3[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000008684537 571101695 /nfs/dbraw/zinc/10/16/95/571101695.db2.gz YXNONDAKAOBLOO-QFIPXVFZSA-N 0 0 419.412 4.226 50 5 HIBARN O=C(Cn1c2ccccc2c(=O)c2ccccc21)NCCOc1cccc(Cl)c1 ZINC000040113493 571171306 /nfs/dbraw/zinc/17/13/06/571171306.db2.gz GYFGOETZUZIFEG-UHFFFAOYSA-N 0 0 406.869 4.003 50 5 HIBARN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CCCN(c2nc3ccccc3s2)C1 ZINC000040115192 571173068 /nfs/dbraw/zinc/17/30/68/571173068.db2.gz BJLIENOPTHTHRQ-ZDUSSCGKSA-N 0 0 412.471 4.068 50 5 HIBARN Cc1c(NC(=O)c2nc(NCCc3ccccc3)ncc2Cl)cccc1[N+](=O)[O-] ZINC000040130875 571182831 /nfs/dbraw/zinc/18/28/31/571182831.db2.gz NOFIYJUUUVYADI-UHFFFAOYSA-N 0 0 411.849 4.254 50 5 HIBARN COc1ccc2oc3cc(OCC(=O)Nc4c(C)cccc4C)cc(O)c3c(=O)c2c1 ZINC000008992677 571207645 /nfs/dbraw/zinc/20/76/45/571207645.db2.gz PYWZQORAOLWYCM-UHFFFAOYSA-N 0 0 419.433 4.295 50 5 HIBARN O=C(CCCc1nc2ccccc2s1)OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000009129075 571227271 /nfs/dbraw/zinc/22/72/71/571227271.db2.gz QPJHIQWPPYRSNE-UHFFFAOYSA-N 0 0 424.438 4.321 50 5 HIBARN O=C1c2oc3ccc(F)cc3c(=O)c2[C@@H](c2ccc([N+](=O)[O-])cc2)N1Cc1ccco1 ZINC000009209477 571236819 /nfs/dbraw/zinc/23/68/19/571236819.db2.gz LKNOZESANXIMFK-LJQANCHMSA-N 0 0 420.352 4.179 50 5 HIBARN O=C(Nc1cc2c(cc1Br)OCCO2)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000009254307 571243130 /nfs/dbraw/zinc/24/31/30/571243130.db2.gz WRWOPAYYCYGTPF-UHFFFAOYSA-N 0 0 413.611 4.034 50 5 HIBARN Cc1cc(N2C(=O)c3oc4ccc(C)cc4c(=O)c3[C@@H]2c2ccc([N+](=O)[O-])cc2)no1 ZINC000009358486 571251454 /nfs/dbraw/zinc/25/14/54/571251454.db2.gz SPAWIJXYPCRPEI-IBGZPJMESA-N 0 0 417.377 4.056 50 5 HIBARN O=C(/C=C/c1ccc([N+](=O)[O-])s1)Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000009367983 571252341 /nfs/dbraw/zinc/25/23/41/571252341.db2.gz PUUHNJSZWHMXNP-FNORWQNLSA-N 0 0 402.413 4.340 50 5 HIBARN CC1=C(C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H](c2ccc(Cl)c(Cl)c2)NC(=O)N1 ZINC000009402793 571254956 /nfs/dbraw/zinc/25/49/56/571254956.db2.gz ZZVJYNKPPONARP-INIZCTEOSA-N 0 0 421.240 4.168 50 5 HIBARN Cc1cccc(-c2nnc(SCC(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])n2C)c1 ZINC000009442307 571259359 /nfs/dbraw/zinc/25/93/59/571259359.db2.gz AXCMVWMVFMEUBB-UHFFFAOYSA-N 0 0 417.878 4.083 50 5 HIBARN Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(Nc2ccccc2F)s1 ZINC000009508584 571263962 /nfs/dbraw/zinc/26/39/62/571263962.db2.gz KKIQTEUAZQOCFB-UHFFFAOYSA-N 0 0 419.463 4.368 50 5 HIBARN COc1ccc(C[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)c2ccc(OC)cc2)cc1 ZINC000009595506 571272272 /nfs/dbraw/zinc/27/22/72/571272272.db2.gz RLFSKPZNAAIVBF-HSZRJFAPSA-N 0 0 420.465 4.255 50 5 HIBARN O=C(Nc1nc(-c2ccc3c(c2)OCCO3)cs1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000009669395 571278440 /nfs/dbraw/zinc/27/84/40/571278440.db2.gz AIKUSFJETSAELG-UHFFFAOYSA-N 0 0 417.830 4.395 50 5 HIBARN O=C(c1ccc([N+](=O)[O-])o1)N(Cc1cccnc1)c1nc2c(cc(F)cc2F)s1 ZINC000009829786 571287378 /nfs/dbraw/zinc/28/73/78/571287378.db2.gz LHHFXAUDPPTTKP-UHFFFAOYSA-N 0 0 416.365 4.318 50 5 HIBARN O=C(Nc1ccc(C(F)(F)F)cc1)c1cccn(Cc2cccc([N+](=O)[O-])c2)c1=O ZINC000010187808 571296097 /nfs/dbraw/zinc/29/60/97/571296097.db2.gz AROCHXYRCHQMBW-UHFFFAOYSA-N 0 0 417.343 4.076 50 5 HIBARN O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc(=O)n(Cc2cccc([N+](=O)[O-])c2)c1 ZINC000010187950 571296216 /nfs/dbraw/zinc/29/62/16/571296216.db2.gz QGZQUPNLZTWSRH-UHFFFAOYSA-N 0 0 418.236 4.364 50 5 HIBARN O=C(NCCC(c1ccccc1)c1ccccc1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000010326824 571300417 /nfs/dbraw/zinc/30/04/17/571300417.db2.gz IUYNIAXJMMVSCT-UHFFFAOYSA-N 0 0 421.428 4.011 50 5 HIBARN CCOCCCn1c(NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)nc2ccccc21 ZINC000095443102 571308685 /nfs/dbraw/zinc/30/86/85/571308685.db2.gz SOWUIRDTMRISGL-UHFFFAOYSA-N 0 0 417.853 4.669 50 5 HIBARN COc1ccc(O[C@@H](NC(=O)c2ccccc2[N+](=O)[O-])C(Cl)(Cl)Cl)cc1 ZINC000022205050 846545187 /nfs/dbraw/zinc/54/51/87/846545187.db2.gz GHSSTSBTIWNDOL-OAHLLOKOSA-N 0 0 419.648 4.109 50 5 HIBARN O=C(NC(=S)Nc1ccc(N2CCCCC2)c(Cl)c1)c1ccccc1[N+](=O)[O-] ZINC000001173122 132240217 /nfs/dbraw/zinc/24/02/17/132240217.db2.gz ZLUYTQSSGPXBPC-UHFFFAOYSA-N 0 0 418.906 4.365 50 5 HIBARN O=C(Nc1cccc(-c2ccc(N3CCCCC3)nn2)c1)c1ccccc1[N+](=O)[O-] ZINC000010186591 132244513 /nfs/dbraw/zinc/24/45/13/132244513.db2.gz DANWFMIDFCBQLJ-UHFFFAOYSA-N 0 0 403.442 4.294 50 5 HIBARN O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1Oc1cccc(N2CCOCC2)c1 ZINC000004300354 132274411 /nfs/dbraw/zinc/27/44/11/132274411.db2.gz NHTJKFOTJLQSAO-UHFFFAOYSA-N 0 0 413.308 4.151 50 5 HIBARN O=C(/C(=C\c1ccccc1)c1ccccc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000004663467 132281485 /nfs/dbraw/zinc/28/14/85/132281485.db2.gz DHNLBCXSKMIFKS-CLCOLTQESA-N 0 0 413.477 4.484 50 5 HIBARN O=C(/C=C/c1ccc(Cl)cc1Cl)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000004688212 132283408 /nfs/dbraw/zinc/28/34/08/132283408.db2.gz QGPGJVBTOHIZQZ-SOFGYWHQSA-N 0 0 406.269 4.264 50 5 HIBARN O=C(Nc1cccc(C(=O)N2CCCc3ccccc32)c1)c1ccc([N+](=O)[O-])cc1 ZINC000004810124 132289128 /nfs/dbraw/zinc/28/91/28/132289128.db2.gz VUYWZNYAUSLWPK-UHFFFAOYSA-N 0 0 401.422 4.440 50 5 HIBARN O=C(/C=C/c1ccc(Cl)cc1)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000005119924 132301687 /nfs/dbraw/zinc/30/16/87/132301687.db2.gz CJDSNIJFDNXKRA-FPYGCLRLSA-N 0 0 406.269 4.264 50 5 HIBARN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000006177120 132309505 /nfs/dbraw/zinc/30/95/05/132309505.db2.gz WYQJWBVGQYKEBF-ZDUSSCGKSA-N 0 0 424.284 4.018 50 5 HIBARN Nc1ccc(C(=O)OCC(=O)N2c3ccccc3Sc3ccccc32)cc1[N+](=O)[O-] ZINC000008687638 132332167 /nfs/dbraw/zinc/33/21/67/132332167.db2.gz NAIPTMVXYHGCCL-UHFFFAOYSA-N 0 0 421.434 4.163 50 5 aggregator HIBARN Cc1nn(-c2cc(N3CCc4ccccc4C3)ccc2[N+](=O)[O-])c(=O)c2ccccc12 ZINC000009192160 132337071 /nfs/dbraw/zinc/33/70/71/132337071.db2.gz LINHAHLRUSWQBC-UHFFFAOYSA-N 0 0 412.449 4.165 50 5 HIBARN CC(C)c1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c4cccnc43)CC2)cc1 ZINC000012522991 132361723 /nfs/dbraw/zinc/36/17/23/132361723.db2.gz HYFYNEHNOUHGPS-UHFFFAOYSA-N 0 0 404.470 4.229 50 5 HIBARN O=[N+]([O-])c1cc(Cl)ccc1N1CCN(Cc2ncc(-c3ccc(F)cc3)o2)CC1 ZINC000012597930 132364863 /nfs/dbraw/zinc/36/48/63/132364863.db2.gz ODZXYDNZMVTERZ-UHFFFAOYSA-N 0 0 416.840 4.365 50 5 HIBARN COc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(N2CCCCC2)c2ccncc12 ZINC000012609849 132365262 /nfs/dbraw/zinc/36/52/62/132365262.db2.gz MVYGIWYPSIROSU-UHFFFAOYSA-N 0 0 406.442 4.394 50 5 HIBARN CCOc1ccc(CCNC(=O)[C@H](C)Sc2ccsc2[N+](=O)[O-])cc1OCC ZINC000020379552 520951632 /nfs/dbraw/zinc/95/16/32/520951632.db2.gz LGKGHDWDTDZHLI-ZDUSSCGKSA-N 0 0 424.544 4.293 50 5 HIBARN O=C(C[C@H](c1cccs1)N1Cc2ccccc2C1=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000020560900 527151064 /nfs/dbraw/zinc/15/10/64/527151064.db2.gz FKHZDXLVLLUSIO-GOSISDBHSA-N 0 0 407.451 4.382 50 5 HIBARN CC(C)CNc1cc(N2CCN(C(=O)c3cccc(Cl)c3)CC2)ccc1[N+](=O)[O-] ZINC000004740970 535171572 /nfs/dbraw/zinc/17/15/72/535171572.db2.gz WTAIDYUHVMVUNX-UHFFFAOYSA-N 0 0 416.909 4.279 50 5 HIBARN CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)Oc1ccc2c(c1)oc(=O)c1ccccc21 ZINC000000625828 557022184 /nfs/dbraw/zinc/02/21/84/557022184.db2.gz DUIZSHBYYXFBMU-GOSISDBHSA-N 0 0 409.438 4.251 50 5 biogenic HIBARN C[C@@H]1CCc2c(sc3nc4c5ccccc5c(NC[C@H]5CCCO5)nn4c(=O)c23)C1 ZINC000000632161 557027212 /nfs/dbraw/zinc/02/72/12/557027212.db2.gz CXGZYKSYHLXTMN-ZIAGYGMSSA-N 0 0 420.538 4.173 50 5 HIBARN O=[N+]([O-])c1cccc([C@@H]2CC(c3cccs3)=NN2S(=O)(=O)c2ccccc2)c1 ZINC000004524908 557563724 /nfs/dbraw/zinc/56/37/24/557563724.db2.gz SRGPJBYKJGQTKL-SFHVURJKSA-N 0 0 413.480 4.196 50 5 HIBARN COc1ccc2c(c1)oc1nc(-c3cccs3)n(Cc3ccccc3)c(=O)c1c2=O ZINC000002343047 557698859 /nfs/dbraw/zinc/69/88/59/557698859.db2.gz WNWVHLADIDIJMF-UHFFFAOYSA-N 0 0 416.458 4.288 50 5 HIBARN CCOc1ccc2c(c1)c(=O)c1cccnc1n2CC(=O)Nc1ccc(C)c(C)c1 ZINC000006901764 557729480 /nfs/dbraw/zinc/72/94/80/557729480.db2.gz FOJDLPBQQMFIJM-UHFFFAOYSA-N 0 0 401.466 4.204 50 5 HIBARN COc1ccccc1-n1cnn(CN(C)Cc2cc([N+](=O)[O-])ccc2Cl)c1=S ZINC000012631644 558442038 /nfs/dbraw/zinc/44/20/38/558442038.db2.gz IWEREINACGCIGA-UHFFFAOYSA-N 0 0 419.894 4.063 50 5 HIBARN O=c1c2c(nc(SCc3ccc([N+](=O)[O-])cc3)n1Cc1ccccc1)CCS2 ZINC000004358756 558446991 /nfs/dbraw/zinc/44/69/91/558446991.db2.gz WYYOKALJKHRLQI-UHFFFAOYSA-N 0 0 411.508 4.140 50 5 HIBARN O=C(Nc1cccc2ccccc21)C12C[C@H]3C[C@@H](C1)CC(n1cnc([N+](=O)[O-])n1)(C3)C2 ZINC000013143919 558522374 /nfs/dbraw/zinc/52/23/74/558522374.db2.gz LROBFHPBTYYNBE-IWENEADUSA-N 0 0 417.469 4.274 50 5 HIBARN O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000004420537 558530246 /nfs/dbraw/zinc/53/02/46/558530246.db2.gz LYTXPHIIIZQKMO-UHFFFAOYSA-N 0 0 406.354 4.008 50 5 HIBARN O=C1OC(c2ccc(Cl)c([N+](=O)[O-])c2)=N/C1=C\c1ccc(OC(F)(F)F)cc1 ZINC000004423827 558543609 /nfs/dbraw/zinc/54/36/09/558543609.db2.gz UGMZKOGQQDOPAA-QPEQYQDCSA-N 0 0 412.707 4.491 50 5 HIBARN Cc1nc(-c2ccccn2)sc1C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000010902854 558556240 /nfs/dbraw/zinc/55/62/40/558556240.db2.gz WKPGKSAMDJUXAL-UHFFFAOYSA-N 0 0 402.863 4.347 50 5 HIBARN COc1ccc(C(=O)Nc2ccc(NC(=O)c3ccccc3)c(C)c2)cc1[N+](=O)[O-] ZINC000004589041 558766292 /nfs/dbraw/zinc/76/62/92/558766292.db2.gz WOJCXSBJWHDCEH-UHFFFAOYSA-N 0 0 405.410 4.416 50 5 HIBARN CC[C@H](C)N(Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-])c1ccc(C(N)=O)cc1 ZINC000072308105 558768088 /nfs/dbraw/zinc/76/80/88/558768088.db2.gz FYFHYUKBFPOHIP-LBPRGKRZSA-N 0 0 423.416 4.109 50 5 HIBARN COc1cc(CCC2CCN(C(=O)c3cccc([N+](=O)[O-])c3C)CC2)cc(OC)c1 ZINC000011128440 558854865 /nfs/dbraw/zinc/85/48/65/558854865.db2.gz KWQFPLAUEZFWLC-UHFFFAOYSA-N 0 0 412.486 4.405 50 5 HIBARN O=C(C[C@H](c1c[nH]c2ccc([N+](=O)[O-])cc21)c1cccc([N+](=O)[O-])c1)N1CCCC1 ZINC000097954796 558865804 /nfs/dbraw/zinc/86/58/04/558865804.db2.gz IAORTXXHCIWULW-KRWDZBQOSA-N 0 0 408.414 4.129 50 5 HIBARN Cc1c(C(=O)N2CCC[C@@H]2C(=O)Nc2ccc(Cl)cc2Cl)cccc1[N+](=O)[O-] ZINC000033094272 558872628 /nfs/dbraw/zinc/87/26/28/558872628.db2.gz QMGMDLLXVOGHMY-QGZVFWFLSA-N 0 0 422.268 4.453 50 5 HIBARN O=C1[C@H]2CC=CC[C@@H]2C(=O)N1c1ccc(NCc2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000004683975 558894520 /nfs/dbraw/zinc/89/45/20/558894520.db2.gz RJEVBPQPPCRBPG-IRXDYDNUSA-N 0 0 411.845 4.316 50 5 HIBARN O=C1[C@@H]2CC=CC[C@H]2C(=O)N1c1ccc(NCc2cccc(Cl)c2)c([N+](=O)[O-])c1 ZINC000004683901 558894697 /nfs/dbraw/zinc/89/46/97/558894697.db2.gz ZEYAPMLOJPNADZ-IAGOWNOFSA-N 0 0 411.845 4.316 50 5 HIBARN C[C@H](NC(=O)COC(=O)c1cc(Cl)ccc1[N+](=O)[O-])C12CC3CC(CC(C3)C1)C2 ZINC000004808349 559068572 /nfs/dbraw/zinc/06/85/72/559068572.db2.gz HHPLPHAMBVKAOT-PXRHCINRSA-N 0 0 420.893 4.126 50 5 HIBARN O=C1OC(c2ccccc2Br)=N/C1=C\c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000004812664 559069511 /nfs/dbraw/zinc/06/95/11/559069511.db2.gz DTXMHYKFMYSSJM-JYRVWZFOSA-N 0 0 407.607 4.355 50 5 HIBARN CCCCn1c(C)nc2c(c3nc4ccccc4nc3n2-c2cccc(OC)c2)c1=O ZINC000004819379 559117074 /nfs/dbraw/zinc/11/70/74/559117074.db2.gz YHDMJFXYJHKCFA-UHFFFAOYSA-N 0 0 413.481 4.401 50 5 HIBARN O=C(Nc1ccccc1C(=O)OCc1ccc([N+](=O)[O-])cc1Cl)c1ccco1 ZINC000004833606 559163315 /nfs/dbraw/zinc/16/33/15/559163315.db2.gz DSTYOWUDGATIRC-UHFFFAOYSA-N 0 0 400.774 4.451 50 5 HIBARN COc1cc(/C=C/c2nc3ccccc3c(=O)n2-c2ccc([N+](=O)[O-])cc2)ccc1O ZINC000004837305 559163645 /nfs/dbraw/zinc/16/36/45/559163645.db2.gz BZWVJSBKDRWBTD-NTUHNPAUSA-N 0 0 415.405 4.179 50 5 HIBARN Cc1ccc(C(=O)N/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)N(C)C)cc1 ZINC000004871948 559194474 /nfs/dbraw/zinc/19/44/74/559194474.db2.gz XEUZBHZZGRGKHK-ZHZULCJRSA-N 0 0 419.437 4.022 50 5 HIBARN COc1ccc(Nc2c3cccc4c3c(cc2[N+](=O)[O-])C(=O)N(C)C4=O)cc1Cl ZINC000004949588 559212973 /nfs/dbraw/zinc/21/29/73/559212973.db2.gz OLMGMOFKLVAXSN-UHFFFAOYSA-N 0 0 411.801 4.379 50 5 HIBARN COc1cccc(-n2c3nc4ccccc4nc3c3c2nc(C)n(CC(C)C)c3=O)c1 ZINC000005066146 559239976 /nfs/dbraw/zinc/23/99/76/559239976.db2.gz SPCJIPMPGMELST-UHFFFAOYSA-N 0 0 413.481 4.257 50 5 HIBARN Cc1csc(-c2cccc(S(=O)(=O)Nc3cccc([N+](=O)[O-])c3Cl)c2)n1 ZINC000252500968 559277952 /nfs/dbraw/zinc/27/79/52/559277952.db2.gz UAKFUFJGSOONED-UHFFFAOYSA-N 0 0 409.876 4.481 50 5 HIBARN O=C(OCc1ncc(-c2ccccc2)o1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000024275449 559281772 /nfs/dbraw/zinc/28/17/72/559281772.db2.gz PTKVQKIFXUATCO-UHFFFAOYSA-N 0 0 407.426 4.210 50 5 HIBARN O=[N+]([O-])c1cc(Cn2c(COc3ccccc3)nc3ccccc32)c2c(c1)COCO2 ZINC000005186022 559290804 /nfs/dbraw/zinc/29/08/04/559290804.db2.gz XBKYMUIGKIIXNE-UHFFFAOYSA-N 0 0 417.421 4.438 50 5 HIBARN COc1ccc(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1N1CCCCC1=O ZINC000005441892 560587658 /nfs/dbraw/zinc/58/76/58/560587658.db2.gz NJEFWMBTKZTEKB-UHFFFAOYSA-N 0 0 403.822 4.026 50 5 HIBARN CC[C@H]1CCc2c(sc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)c2C(N)=O)C1 ZINC000005476931 560594490 /nfs/dbraw/zinc/59/44/90/560594490.db2.gz HSHVPIIFWJWWRY-VIFPVBQESA-N 0 0 407.879 4.176 50 5 HIBARN COc1cc(CN(C(=O)Nc2cccc([N+](=O)[O-])c2)C2CC2)ccc1OC(F)F ZINC000017743691 560725064 /nfs/dbraw/zinc/72/50/64/560725064.db2.gz HOQCNCSYGOYESQ-UHFFFAOYSA-N 0 0 407.373 4.401 50 5 HIBARN O=C(Nc1ccccc1)[C@H]1CCCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1 ZINC000017823543 560728880 /nfs/dbraw/zinc/72/88/80/560728880.db2.gz RWNAUNATIDTCPL-AWEZNQCLSA-N 0 0 409.467 4.300 50 5 HIBARN COc1c(OC(C)=O)ccc(/C=C/c2cc(OC(C)=O)c3ccccc3n2)c1[N+](=O)[O-] ZINC000015016842 560779513 /nfs/dbraw/zinc/77/95/13/560779513.db2.gz FGPWIMDCYWSOEU-CSKARUKUSA-N 0 0 422.393 4.173 50 5 HIBARN C[C@H](NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccc(Br)cc1 ZINC000012383687 560780078 /nfs/dbraw/zinc/78/00/78/560780078.db2.gz FVMJZXCEFISPLW-VIFPVBQESA-N 0 0 419.684 4.050 50 5 HIBARN O=[N+]([O-])c1ccc(-c2ccc(Nc3c4nonc4c([N+](=O)[O-])cc3[N+](=O)[O-])cc2)cc1 ZINC000102101243 560807630 /nfs/dbraw/zinc/80/76/30/560807630.db2.gz YSIJYCVOMWPHPR-UHFFFAOYSA-N 0 0 422.313 4.358 50 5 HIBARN O=[N+]([O-])/C(=C\c1ccc([N+](=O)[O-])cc1)CC/C(=C/c1ccc([N+](=O)[O-])cc1)[N+](=O)[O-] ZINC000104151104 560848995 /nfs/dbraw/zinc/84/89/95/560848995.db2.gz FGMRRTYPNHDBPB-WHYMJUELSA-N 0 0 414.330 4.219 50 5 HIBARN O=C(CCc1ccccc1)N1CCC(Nc2ccc3ncccc3c2[N+](=O)[O-])CC1 ZINC000048299827 568437306 /nfs/dbraw/zinc/43/73/06/568437306.db2.gz NFNNEIZXYXESDZ-UHFFFAOYSA-N 0 0 404.470 4.179 50 5 HIBARN CN(C)c1ccc2cc(NC(=O)C3CCN(c4ccccc4[N+](=O)[O-])CC3)ccc2n1 ZINC000048356412 568441151 /nfs/dbraw/zinc/44/11/51/568441151.db2.gz NZMMIOXHYMKKAC-UHFFFAOYSA-N 0 0 419.485 4.064 50 5 HIBARN CNc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc(-c2cc(OC)ccc2OC)cs1 ZINC000024784420 568463117 /nfs/dbraw/zinc/46/31/17/568463117.db2.gz DVYDSDWVVKNIHN-UHFFFAOYSA-N 0 0 414.443 4.030 50 5 HIBARN CCn1c(SCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)nnc1C1CCCCC1 ZINC000000793599 568478366 /nfs/dbraw/zinc/47/83/66/568478366.db2.gz DXERDAKIOVTIFN-UHFFFAOYSA-N 0 0 403.508 4.293 50 5 HIBARN CC(=O)Oc1ccccc1N1C(=O)c2ccc(Oc3cccc([N+](=O)[O-])c3)cc2C1=O ZINC000000793761 568480567 /nfs/dbraw/zinc/48/05/67/568480567.db2.gz WOWFTFNCSPBVJL-UHFFFAOYSA-N 0 0 418.361 4.113 50 5 HIBARN COc1cc(C(=O)OCc2nnc(C)o2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000024917955 568484487 /nfs/dbraw/zinc/48/44/87/568484487.db2.gz WDUCVRWUFWQOLP-UHFFFAOYSA-N 0 0 419.777 4.098 50 5 HIBARN O=C(/C=C/c1ccccc1)N[C@H](Oc1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)Cl ZINC000000836575 568501710 /nfs/dbraw/zinc/50/17/10/568501710.db2.gz QLTSWPBDCQQXQQ-HKUPYCBJSA-N 0 0 415.660 4.500 50 5 HIBARN O=C(Nc1ccccc1)[C@H]1CCCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000095444949 568611659 /nfs/dbraw/zinc/61/16/59/568611659.db2.gz KXBOJXQTIRJFRT-KRWDZBQOSA-N 0 0 406.442 4.101 50 5 HIBARN COc1c(Cl)cc(Cl)cc1[C@H]1OC(c2ccc([N+](=O)[O-])cc2)=NN1C(C)=O ZINC000020946008 568653469 /nfs/dbraw/zinc/65/34/69/568653469.db2.gz RKOFWHZWMHABPH-QGZVFWFLSA-N 0 0 410.213 4.149 50 5 HIBARN CCc1ccc(NS(=O)(=O)c2ccc(/C=C/c3onc(C)c3[N+](=O)[O-])cc2)cc1 ZINC000021112444 568668301 /nfs/dbraw/zinc/66/83/01/568668301.db2.gz IXELOZFMEQMJLP-MDWZMJQESA-N 0 0 413.455 4.425 50 5 HIBARN CC(=O)N1N=C(COc2ccc(Cl)cc2Cl)O[C@@H]1c1ccccc1[N+](=O)[O-] ZINC000021151619 568672296 /nfs/dbraw/zinc/67/22/96/568672296.db2.gz IPYUAFUGJURKQD-QGZVFWFLSA-N 0 0 410.213 4.171 50 5 HIBARN CC1=Nc2c(c(=O)[nH]n2[C@@H]2CCOC(C)(C)C2)[C@H](c2cccc([N+](=O)[O-])c2)S1 ZINC000096117535 568696978 /nfs/dbraw/zinc/69/69/78/568696978.db2.gz QQVIJTLARTUFNZ-ZBFHGGJFSA-N 0 0 402.476 4.101 50 5 HIBARN CC[C@H](C)N(CCc1nc(-c2cccc([N+](=O)[O-])c2)no1)C(=O)c1ccc(OC)cc1 ZINC000096276972 568715575 /nfs/dbraw/zinc/71/55/75/568715575.db2.gz WSOWKFAAKRLJHK-HNNXBMFYSA-N 0 0 424.457 4.137 50 5 HIBARN CC[C@H](C)N(CCc1nc(-c2cccc([N+](=O)[O-])c2)no1)C(=O)c1ccc(C)cc1 ZINC000096277203 568715805 /nfs/dbraw/zinc/71/58/05/568715805.db2.gz OXIQMNXJRFZUPE-INIZCTEOSA-N 0 0 408.458 4.437 50 5 HIBARN CC[C@H](C)[C@@H](NC(=O)COCc1ccccc1)c1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000096277259 568715825 /nfs/dbraw/zinc/71/58/25/568715825.db2.gz FCHVGXPUIGOJHG-MGPUTAFESA-N 0 0 424.457 4.065 50 5 HIBARN CCCCN(CCc1nc(-c2cccc([N+](=O)[O-])c2)no1)C(=O)c1ccc(C)cc1 ZINC000096277012 568715876 /nfs/dbraw/zinc/71/58/76/568715876.db2.gz GELNANAJDBZBFL-UHFFFAOYSA-N 0 0 408.458 4.438 50 5 HIBARN CC[C@H](C)[C@@H](NC(=O)c1ccc(OC)cc1)c1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000096277353 568716181 /nfs/dbraw/zinc/71/61/81/568716181.db2.gz YKXVRPDDVVWGFK-SCLBCKFNSA-N 0 0 410.430 4.171 50 5 HIBARN O=c1c(SCc2cccc([N+](=O)[O-])c2)nccn1-c1ccc(Br)cc1 ZINC000012415568 568717717 /nfs/dbraw/zinc/71/77/17/568717717.db2.gz SLOCEXKODYZJJT-UHFFFAOYSA-N 0 0 418.272 4.196 50 5 HIBARN CC[C@@H](C)[C@H](NC(=O)Cc1ccc(F)cc1)c1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000096290225 568720127 /nfs/dbraw/zinc/72/01/27/568720127.db2.gz VNIFIIVRPUFESN-YJYMSZOUSA-N 0 0 412.421 4.230 50 5 HIBARN C[C@@H](OC(=O)c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1)C(=O)c1ccccc1 ZINC000000878804 568726304 /nfs/dbraw/zinc/72/63/04/568726304.db2.gz RSUJFVZQTYOESE-OAHLLOKOSA-N 0 0 418.405 4.275 50 5 HIBARN COC(=O)c1cc(Br)ccc1NC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000000942061 568752912 /nfs/dbraw/zinc/75/29/12/568752912.db2.gz WKMWAXDIFSHGDJ-UHFFFAOYSA-N 0 0 413.611 4.050 50 5 HIBARN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N(C)CCOc1ccccc1Cl ZINC000015103537 568756009 /nfs/dbraw/zinc/75/60/09/568756009.db2.gz XKPSCNDOBPOXPN-CYBMUJFWSA-N 0 0 402.838 4.370 50 5 HIBARN COc1ccccc1[C@H]1[C@H](Oc2ccccc2C)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000001076919 568765436 /nfs/dbraw/zinc/76/54/36/568765436.db2.gz OEJIPJWIPVGUBW-VXKWHMMOSA-N 0 0 404.422 4.447 50 5 HIBARN O=C(COc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1ccccc1Br ZINC000001066443 568766607 /nfs/dbraw/zinc/76/66/07/568766607.db2.gz NFHLXMZEEQHTEB-UHFFFAOYSA-N 0 0 419.153 4.394 50 5 HIBARN COC(=O)c1cc(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc([N+](=O)[O-])c1 ZINC000001097959 568769068 /nfs/dbraw/zinc/76/90/68/568769068.db2.gz FUJLZMMLCPIRMF-UHFFFAOYSA-N 0 0 402.712 4.306 50 5 HIBARN O=C(Nc1ccccc1Cl)c1cccc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1 ZINC000001114680 568770773 /nfs/dbraw/zinc/77/07/73/568770773.db2.gz VJTWIQRUTXLTLX-UHFFFAOYSA-N 0 0 421.796 4.301 50 5 HIBARN CCOc1ccc(NC(=O)c2ccccc2NC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000001141011 568772337 /nfs/dbraw/zinc/77/23/37/568772337.db2.gz JPGYLRUIJZQGFR-UHFFFAOYSA-N 0 0 405.410 4.498 50 5 HIBARN COc1ccc(O[C@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)[C@@H]2c2ccccc2OC)cc1 ZINC000001145872 568772526 /nfs/dbraw/zinc/77/25/26/568772526.db2.gz MOWWIWJKBDEMHS-FGZHOGPDSA-N 0 0 420.421 4.148 50 5 HIBARN COc1ccc(C(=O)OCC(=O)c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)cc1 ZINC000001139835 568773726 /nfs/dbraw/zinc/77/37/26/568773726.db2.gz CYXGPGCRWUWXJB-UHFFFAOYSA-N 0 0 407.378 4.435 50 5 HIBARN COc1cc([N+](=O)[O-])cc2sc(NC(=O)c3ccc(Br)s3)nc21 ZINC000002478450 568774149 /nfs/dbraw/zinc/77/41/49/568774149.db2.gz VVYSRSAPBAJXDY-UHFFFAOYSA-N 0 0 414.262 4.289 50 5 HIBARN CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)NC(=O)N1 ZINC000001156644 568774245 /nfs/dbraw/zinc/77/42/45/568774245.db2.gz WMCQPXWBLLSRSC-INIZCTEOSA-N 0 0 421.240 4.168 50 5 HIBARN O=C(c1ccc([N+](=O)[O-])cc1)N1CCc2[nH]c3ccc(Br)cc3c2C1 ZINC000025549047 568780992 /nfs/dbraw/zinc/78/09/92/568780992.db2.gz PZAGAWODWUSGPJ-UHFFFAOYSA-N 0 0 400.232 4.037 50 5 HIBARN O=[N+]([O-])c1ccc(-c2nnc(-c3cccc(Br)c3)s2)c([N+](=O)[O-])c1 ZINC000002546755 568781776 /nfs/dbraw/zinc/78/17/76/568781776.db2.gz CAZMDGFOJVZDLN-UHFFFAOYSA-N 0 0 407.205 4.451 50 5 HIBARN O=c1[nH]c(SCc2ccc([N+](=O)[O-])cc2)nc2c1cnn2-c1ccc(Cl)cc1 ZINC000002717809 568802674 /nfs/dbraw/zinc/80/26/74/568802674.db2.gz XPURPWCBFKTLIF-UHFFFAOYSA-N 0 0 413.846 4.375 50 5 HIBARN Cc1cccc(CSc2nnc(NC(=O)COc3ccc([N+](=O)[O-])cc3)s2)c1 ZINC000002871997 568813780 /nfs/dbraw/zinc/81/37/80/568813780.db2.gz PBCPHEUXTAOGAR-UHFFFAOYSA-N 0 0 416.484 4.065 50 5 HIBARN Cc1c(Br)c([N+](=O)[O-])nn1[C@@H](C)C(=O)Nc1ccc(C)c(Cl)c1 ZINC000002879324 568813943 /nfs/dbraw/zinc/81/39/43/568813943.db2.gz XRFABGQXUQUZFB-VIFPVBQESA-N 0 0 401.648 4.024 50 5 HIBARN CCOc1ccc(C(=O)Nc2ccc(-c3nc4ncccc4o3)cc2)cc1[N+](=O)[O-] ZINC000001207895 568823426 /nfs/dbraw/zinc/82/34/26/568823426.db2.gz QBRXONFSCZGLFB-UHFFFAOYSA-N 0 0 404.382 4.449 50 5 HIBARN CC(=O)c1cccc(N2C(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3C2=O)c1 ZINC000001213882 568824664 /nfs/dbraw/zinc/82/46/64/568824664.db2.gz OBVVDIZPDCKTMB-UHFFFAOYSA-N 0 0 402.362 4.390 50 5 HIBARN Cc1cc2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3C)n2c2ccccc12 ZINC000005884974 568828222 /nfs/dbraw/zinc/82/82/22/568828222.db2.gz VZMVYPLPZQPOSL-UHFFFAOYSA-N 0 0 407.455 4.138 50 5 HIBARN CCSc1nnc2c(n1)O[C@H](c1ccc([N+](=O)[O-])cc1)N(C(C)=O)c1ccccc1-2 ZINC000002977985 568831610 /nfs/dbraw/zinc/83/16/10/568831610.db2.gz RVQNLFVKRSINSD-LJQANCHMSA-N 0 0 423.454 4.003 50 5 HIBARN COc1ccccc1-c1cc(CN(C(=O)Nc2ccc([N+](=O)[O-])cc2)C2CC2)no1 ZINC000034922402 568832874 /nfs/dbraw/zinc/83/28/74/568832874.db2.gz IQZWPGTTXGLOBX-UHFFFAOYSA-N 0 0 408.414 4.455 50 5 HIBARN CN(Cc1ccc(C(=O)NCC(F)(F)F)cc1)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000012523055 568842098 /nfs/dbraw/zinc/84/20/98/568842098.db2.gz VADITQYETAYTAG-UHFFFAOYSA-N 0 0 418.375 4.072 50 5 HIBARN COc1ccc(C(=O)N[C@H](Oc2ccc([N+](=O)[O-])cc2)C(Cl)(Cl)Cl)cc1 ZINC000003091901 568854758 /nfs/dbraw/zinc/85/47/58/568854758.db2.gz VWNWEJHPNVYTBA-OAHLLOKOSA-N 0 0 419.648 4.109 50 5 HIBARN Cc1nc(-c2ccc3c(c2)CCN3CC(=O)Nc2ccc(C)cc2[N+](=O)[O-])cs1 ZINC000012561461 568858477 /nfs/dbraw/zinc/85/84/77/568858477.db2.gz OOUIPKUPXZXYKA-UHFFFAOYSA-N 0 0 408.483 4.336 50 5 HIBARN CCOc1cc2c(cc1N[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)O[C@@H](C)C2 ZINC000012562545 568858933 /nfs/dbraw/zinc/85/89/33/568858933.db2.gz MXECPFYVBMSFJU-RYUDHWBXSA-N 0 0 419.865 4.409 50 5 HIBARN Cn1cc(C(=O)c2cccc(Br)c2)cc1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000003171275 568859527 /nfs/dbraw/zinc/85/95/27/568859527.db2.gz PWFRAPQBDOCJSP-UHFFFAOYSA-N 0 0 413.227 4.158 50 5 HIBARN CC1=C(C(=O)Nc2cccc([N+](=O)[O-])c2)[C@H](c2c(Cl)cccc2Cl)NC(=O)N1 ZINC000012619175 568872452 /nfs/dbraw/zinc/87/24/52/568872452.db2.gz QLNQVSHXNZLEAC-MRXNPFEDSA-N 0 0 421.240 4.168 50 5 HIBARN O=C(c1ccccc1)c1ccc(N2CCN(Cc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000058124088 568888586 /nfs/dbraw/zinc/88/85/86/568888586.db2.gz FJTGGMXMGOQLLB-UHFFFAOYSA-N 0 0 401.466 4.148 50 5 HIBARN CC(C)Nc1nnc(S[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)s1 ZINC000003383394 568892815 /nfs/dbraw/zinc/89/28/15/568892815.db2.gz QDTJDSHFOKDMQQ-MRVPVSSYSA-N 0 0 401.901 4.039 50 5 HIBARN O=C(Nc1ccccc1)[C@H](c1ccccc1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000030911742 568901416 /nfs/dbraw/zinc/90/14/16/568901416.db2.gz WNAJGQZBSPBHAL-QHCPKHFHSA-N 0 0 416.481 4.097 50 5 HIBARN CCn1c2ccccc2c2cc(NC(=O)[C@H](C)OC(=O)c3ccc([N+](=O)[O-])o3)ccc21 ZINC000003456487 568906503 /nfs/dbraw/zinc/90/65/03/568906503.db2.gz OMAOAUMYJAOSAZ-ZDUSSCGKSA-N 0 0 421.409 4.500 50 5 HIBARN O=C(COC(=O)c1cccnc1)c1ccc(Oc2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000001309267 568913555 /nfs/dbraw/zinc/91/35/55/568913555.db2.gz ZUQIGRSBMQZHEQ-UHFFFAOYSA-N 0 0 412.785 4.475 50 5 HIBARN O=C(NCCCNc1ccc([N+](=O)[O-])c2cccnc12)c1cc(F)c(F)cc1Cl ZINC000004044506 568935693 /nfs/dbraw/zinc/93/56/93/568935693.db2.gz QUBGGPOMVAQJDA-UHFFFAOYSA-N 0 0 420.803 4.307 50 5 HIBARN COc1ccc(NC(=S)N2CCn3cccc3[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000004059443 568937017 /nfs/dbraw/zinc/93/70/17/568937017.db2.gz YAUQAKBSDBSFQJ-HXUWFJFHSA-N 0 0 408.483 4.207 50 5 HIBARN COc1ccc([C@@H]2[C@@H](Oc3ccccc3)C(=O)N2c2cccc([N+](=O)[O-])c2)cc1OC ZINC000001439846 568940005 /nfs/dbraw/zinc/94/00/05/568940005.db2.gz GEFYNPZLQBATMA-FGZHOGPDSA-N 0 0 420.421 4.148 50 5 HIBARN Cc1cc(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])nc2c3ccccc3oc(=O)c12 ZINC000004108174 568943867 /nfs/dbraw/zinc/94/38/67/568943867.db2.gz ILOOQTOUOXWPRA-UHFFFAOYSA-N 0 0 409.785 4.464 50 5 HIBARN O=C(c1cccc([N+](=O)[O-])c1)N1CCN=C1SCc1ccc(C(F)(F)F)cc1 ZINC000004120472 568944860 /nfs/dbraw/zinc/94/48/60/568944860.db2.gz JXGWRNFVBLCXMD-UHFFFAOYSA-N 0 0 409.389 4.359 50 5 HIBARN O=C(C[C@H]1Sc2ccc(C(F)(F)F)cc2NC1=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000004158871 568946940 /nfs/dbraw/zinc/94/69/40/568946940.db2.gz BPEOAIDGXHPDIH-CQSZACIVSA-N 0 0 411.361 4.055 50 5 HIBARN Cc1c(Cl)cccc1NC(=O)CNC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000012773165 568952756 /nfs/dbraw/zinc/95/27/56/568952756.db2.gz MMYYEAMLJUKQMH-UHFFFAOYSA-N 0 0 413.817 4.185 50 5 HIBARN COc1cc(C(=O)NCC(C)(c2ccccc2)c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000012773837 568953057 /nfs/dbraw/zinc/95/30/57/568953057.db2.gz CSYZLYQRUYFSHI-UHFFFAOYSA-N 0 0 420.465 4.348 50 5 HIBARN C[C@H]1CCc2c(C(=O)OCC(=O)Nc3cc(Cl)ccc3[N+](=O)[O-])csc2C1 ZINC000006052522 568988306 /nfs/dbraw/zinc/98/83/06/568988306.db2.gz LAEGRQWFKAOYLG-JTQLQIEISA-N 0 0 408.863 4.230 50 5 HIBARN O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)Nc1cccc(Oc2ccccc2)c1 ZINC000008429500 569002757 /nfs/dbraw/zinc/00/27/57/569002757.db2.gz NWADALRTUNKMQH-UHFFFAOYSA-N 0 0 405.410 4.146 50 5 HIBARN O=[N+]([O-])c1cc2c(c([N+](=O)[O-])c1)-c1c(cc([N+](=O)[O-])cc1[N+](=O)[O-])C2=Cc1ccc[nH]1 ZINC000008448359 569003699 /nfs/dbraw/zinc/00/36/99/569003699.db2.gz ZGIQNIBDHFRBGM-UHFFFAOYSA-N 0 0 423.297 4.217 50 5 HIBARN O=C1OC(c2ccc(Cl)c([N+](=O)[O-])c2)=N/C1=C\c1cccc(Br)c1 ZINC000001507259 569007026 /nfs/dbraw/zinc/00/70/26/569007026.db2.gz WKTRIXZQMWNFAG-QPEQYQDCSA-N 0 0 407.607 4.355 50 5 HIBARN Nc1ccc(C(=O)OCC(=O)c2c3ccccc3[nH]c2-c2ccccc2)cc1[N+](=O)[O-] ZINC000006121691 569009553 /nfs/dbraw/zinc/00/95/53/569009553.db2.gz PURUTVGOXKUGQI-UHFFFAOYSA-N 0 0 415.405 4.365 50 5 HIBARN COc1cc([N+](=O)[O-])ccc1NC(=O)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O ZINC000015838277 569013617 /nfs/dbraw/zinc/01/36/17/569013617.db2.gz JCYNTSQPOIPYNG-FQEVSTJZSA-N 0 0 418.405 4.310 50 5 HIBARN COc1cc([N+](=O)[O-])ccc1NC(=O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O ZINC000015838275 569013646 /nfs/dbraw/zinc/01/36/46/569013646.db2.gz JCYNTSQPOIPYNG-HXUWFJFHSA-N 0 0 418.405 4.310 50 5 HIBARN Cc1nn(-c2nc3ccccc3s2)c2c1[C@H](c1ccccc1[N+](=O)[O-])CC(=O)N2 ZINC000015868199 569017012 /nfs/dbraw/zinc/01/70/12/569017012.db2.gz LVSWZGYZCWOEDT-ZDUSSCGKSA-N 0 0 405.439 4.173 50 5 HIBARN C[C@@H](Sc1nnc(Nc2ccccc2F)s1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000016046137 569028315 /nfs/dbraw/zinc/02/83/15/569028315.db2.gz QFFUBOLACJFDRG-SNVBAGLBSA-N 0 0 419.463 4.448 50 5 HIBARN CC1=C(C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H](c2cccc3ccccc32)NC(=S)N1 ZINC000035352171 569048004 /nfs/dbraw/zinc/04/80/04/569048004.db2.gz GVPHWCZYUQYBNN-FQEVSTJZSA-N 0 0 418.478 4.180 50 5 HIBARN Cc1ccc(NC(=O)c2cnn(-c3ccccc3F)c2C(F)(F)F)cc1[N+](=O)[O-] ZINC000013021190 569051148 /nfs/dbraw/zinc/05/11/48/569051148.db2.gz OCIRPPZLJHOAFP-UHFFFAOYSA-N 0 0 408.311 4.499 50 5 HIBARN O=C(CCCCCN1C(=O)c2ccccc2C1=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000001771052 569052411 /nfs/dbraw/zinc/05/24/11/569052411.db2.gz JMGHYGUENMNEJO-UHFFFAOYSA-N 0 0 415.833 4.043 50 5 HIBARN Cc1cc(C)c([N+](=O)[O-])cc1-c1ccc(/C=c2\sc3nc4ccccc4n3c2=O)o1 ZINC000006459151 569053272 /nfs/dbraw/zinc/05/32/72/569053272.db2.gz FGEHMMGNRVKYBF-JMIUGGIZSA-N 0 0 417.446 4.242 50 5 HIBARN Cc1ccc(C(=O)COC(=O)c2ccc3c(c2)-c2ccccc2C3=O)cc1[N+](=O)[O-] ZINC000001852027 569056570 /nfs/dbraw/zinc/05/65/70/569056570.db2.gz YIXCULZKTHHJCO-UHFFFAOYSA-N 0 0 401.374 4.154 50 5 HIBARN Cc1cc(C(=O)N[C@@H](Cc2ccccc2)c2nc3ccccc3[nH]2)ccc1[N+](=O)[O-] ZINC000006506423 569061737 /nfs/dbraw/zinc/06/17/37/569061737.db2.gz MTYOSEZXEJIGKG-FQEVSTJZSA-N 0 0 400.438 4.493 50 5 HIBARN Cc1cc(C(=O)COc2cccc([N+](=O)[O-])c2)c(C)n1Cc1ccc2c(c1)OCO2 ZINC000089577903 569070462 /nfs/dbraw/zinc/07/04/62/569070462.db2.gz OTMFRKQCUZKDJI-UHFFFAOYSA-N 0 0 408.410 4.052 50 5 HIBARN Cc1ccc(N(Cc2ccccc2F)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000036247608 569116521 /nfs/dbraw/zinc/11/65/21/569116521.db2.gz ITMAOHHWKVFGHO-UHFFFAOYSA-N 0 0 400.431 4.438 50 5 HIBARN CCOC(=O)c1cc(C(=O)c2ccc([N+](=O)[O-])cc2)n2c1cccc2-c1ccccn1 ZINC000006872155 569161868 /nfs/dbraw/zinc/16/18/68/569161868.db2.gz JQDPSDVHXDRRGX-UHFFFAOYSA-N 0 0 415.405 4.317 50 5 HIBARN Cc1cc(Cl)ccc1OCCCC(=O)Nc1nnc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000006946840 569188474 /nfs/dbraw/zinc/18/84/74/569188474.db2.gz SWWQADLFGOJAOG-UHFFFAOYSA-N 0 0 416.821 4.404 50 5 HIBARN Cc1ccc(S(=O)(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)cc1[N+](=O)[O-] ZINC000007307036 569232934 /nfs/dbraw/zinc/23/29/34/569232934.db2.gz 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HIBARN O=C(c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)N1C[C@H](c2ccccc2)[C@H]2CCC[C@H]21 ZINC000242324485 569321526 /nfs/dbraw/zinc/32/15/26/569321526.db2.gz ZBRVJKQVRZUXFZ-OZOXKJRCSA-N 0 0 403.438 4.257 50 5 HIBARN CC(=O)Nc1nc(-c2cccc(Br)c2)nc2c3ccccc3oc(=O)c12 ZINC000002363863 569387434 /nfs/dbraw/zinc/38/74/34/569387434.db2.gz DMFZOXOSAVXFOM-UHFFFAOYSA-N 0 0 410.227 4.124 50 5 HIBARN CCCCOc1ccc(NC(=O)CSc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1 ZINC000009243641 569392036 /nfs/dbraw/zinc/39/20/36/569392036.db2.gz CTANNFXJAYSIIA-UHFFFAOYSA-N 0 0 400.460 4.381 50 5 HIBARN O=C(CSc1nnc(-c2ccccc2[N+](=O)[O-])o1)c1ccc(Br)cc1 ZINC000009971529 569394647 /nfs/dbraw/zinc/39/46/47/569394647.db2.gz FBGGLWLGIMDYNT-UHFFFAOYSA-N 0 0 420.244 4.382 50 5 HIBARN C[C@H](c1ccccc1)N1C(=O)[C@@H]2[C@@H](C1=O)C1c3ccccc3C2([N+](=O)[O-])c2ccccc21 ZINC000012383808 569400801 /nfs/dbraw/zinc/40/08/01/569400801.db2.gz KSAGMQGUJRTNNG-YYLWDLIKSA-N 0 0 424.456 4.028 50 5 HIBARN Cn1c(Cc2cccc3ccccc32)nnc1SCC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000012631169 569402153 /nfs/dbraw/zinc/40/21/53/569402153.db2.gz CHZYWNQQTAJANK-UHFFFAOYSA-N 0 0 418.478 4.442 50 5 HIBARN Cc1ccc(Cl)cc1NC(=O)CSc1nnc(-c2ccc([N+](=O)[O-])cc2)n1C ZINC000012630599 569402226 /nfs/dbraw/zinc/40/22/26/569402226.db2.gz CNDJZJWFTVXLKA-UHFFFAOYSA-N 0 0 417.878 4.083 50 5 HIBARN Cn1c(C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2)nc2ccccc21 ZINC000012628935 569402254 /nfs/dbraw/zinc/40/22/54/569402254.db2.gz YQLHORKUFXALQE-HXUWFJFHSA-N 0 0 400.438 4.195 50 5 HIBARN Cc1nc(-c2ccc3c(c2)CCN3S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cs1 ZINC000012799367 569403654 /nfs/dbraw/zinc/40/36/54/569403654.db2.gz BIHSWXZYAGKITM-UHFFFAOYSA-N 0 0 415.496 4.087 50 5 HIBARN Cc1c([C@H](C)NC(=O)c2cccc(Cl)c2[N+](=O)[O-])cnn1-c1ccc(F)cc1 ZINC000079020653 569424283 /nfs/dbraw/zinc/42/42/83/569424283.db2.gz SFORNGQQKNSOMG-NSHDSACASA-N 0 0 402.813 4.372 50 5 HIBARN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)Nc2ccc3c(c2)OCCO3)cc1 ZINC000008636839 571097083 /nfs/dbraw/zinc/09/70/83/571097083.db2.gz IHNBLKRAAAREHT-UHFFFAOYSA-N 0 0 422.393 4.419 50 5 HIBARN Cc1oc(-c2ccc([N+](=O)[O-])cc2)cc1C(=O)N(C)Cc1cc(=O)[nH]c2ccccc12 ZINC000008768394 571116353 /nfs/dbraw/zinc/11/63/53/571116353.db2.gz RPRIYSZSVDXPFQ-UHFFFAOYSA-N 0 0 417.421 4.277 50 5 HIBARN O=c1c2ccccc2nc(/C=C/c2cccc([N+](=O)[O-])c2)n1-c1cccc([N+](=O)[O-])c1 ZINC000009035955 571213289 /nfs/dbraw/zinc/21/32/89/571213289.db2.gz DIJLDJBEXDQSKA-VAWYXSNFSA-N 0 0 414.377 4.373 50 5 HIBARN COc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)c1ccccc1Oc1ccccc1 ZINC000009124863 571226100 /nfs/dbraw/zinc/22/61/00/571226100.db2.gz RHZPPSLDVABNQO-UHFFFAOYSA-N 0 0 422.393 4.191 50 5 HIBARN O=C1c2oc3ccc(F)cc3c(=O)c2[C@@H](c2cccc([N+](=O)[O-])c2)N1Cc1ccco1 ZINC000009210589 571236862 /nfs/dbraw/zinc/23/68/62/571236862.db2.gz IUTCFRLXECCKCT-LJQANCHMSA-N 0 0 420.352 4.179 50 5 HIBARN Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1cccc([N+](=O)[O-])c1)N(Cc1ccco1)C3=O ZINC000009360860 571251570 /nfs/dbraw/zinc/25/15/70/571251570.db2.gz XCYZPVNUWKPZRU-FQEVSTJZSA-N 0 0 416.389 4.348 50 5 HIBARN O=[N+]([O-])c1cc(S(=O)(=O)N2CCCC2)ccc1Sc1nc2ccccc2s1 ZINC000009439343 571259025 /nfs/dbraw/zinc/25/90/25/571259025.db2.gz YCISLVUFYDGCGV-UHFFFAOYSA-N 0 0 421.525 4.140 50 5 HIBARN Cc1cc(C(=O)COc2ccc(C)nc2[N+](=O)[O-])c(C)n1CCc1ccc(F)cc1 ZINC000009715138 571281525 /nfs/dbraw/zinc/28/15/25/571281525.db2.gz IYUVOARFHMCGPN-UHFFFAOYSA-N 0 0 411.433 4.360 50 5 HIBARN O=C(Nc1nnc(COc2ccc([N+](=O)[O-])cc2)s1)Nc1ccc(Cl)cc1 ZINC000017161079 571307597 /nfs/dbraw/zinc/30/75/97/571307597.db2.gz PSTUQCRIYRAMCV-UHFFFAOYSA-N 0 0 405.823 4.323 50 5 HIBARN COc1ccc(N[C@@H](NC(=O)c2ccccc2[N+](=O)[O-])C(Cl)(Cl)Cl)cc1 ZINC000001232125 845004282 /nfs/dbraw/zinc/00/42/82/845004282.db2.gz WUQSSXQQSXIMEL-HNNXBMFYSA-N 0 0 418.664 4.142 50 5 HIBARN C[C@H](OC(=O)/C=C/c1ccccc1[N+](=O)[O-])C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000003247142 845010682 /nfs/dbraw/zinc/01/06/82/845010682.db2.gz FCOBSIRLGUEVOX-VMPCVLLUSA-N 0 0 408.332 4.197 50 5 HIBARN Cc1ccc(C(=O)N/C(=C\c2cccc([N+](=O)[O-])c2)C(=O)OCc2ccccc2)cc1 ZINC000004949477 845074159 /nfs/dbraw/zinc/07/41/59/845074159.db2.gz OJVMUOPMGDHFCR-JCMHNJIXSA-N 0 0 416.433 4.418 50 5 HIBARN O=C(NCc1ccc(F)cc1)c1nnc(/C(Cl)=C\c2cccc([N+](=O)[O-])c2)s1 ZINC000097003048 852573121 /nfs/dbraw/zinc/57/31/21/852573121.db2.gz HRHYMHVZVQVQMC-OQLLNIDSSA-N 0 0 418.837 4.252 50 5 HIBARN C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)C1CCN(C(=O)/C=C\c2ccccc2)CC1 ZINC000097998370 852648051 /nfs/dbraw/zinc/64/80/51/852648051.db2.gz MWUHCWZGZYFWRH-JYBLJSLWSA-N 0 0 421.497 4.066 50 5 HIBARN O=C(/C=C\c1cccc([N+](=O)[O-])c1)Nc1ccc(-n2cccn2)cc1C(F)(F)F ZINC000098006634 852650069 /nfs/dbraw/zinc/65/00/69/852650069.db2.gz CFYJBVPUACPPQI-YVMONPNESA-N 0 0 402.332 4.451 50 5 HIBARN O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccc(N2CCOCC2)c(Cl)c1 ZINC000001164627 132239946 /nfs/dbraw/zinc/23/99/46/132239946.db2.gz WCILOBQPSZWIAI-QHHAFSJGSA-N 0 0 422.268 4.390 50 5 HIBARN O=C(c1cccc(Cl)c1)N1CCN(c2ccc([N+](=O)[O-])cc2-n2cccc2)CC1 ZINC000004307343 132274807 /nfs/dbraw/zinc/27/48/07/132274807.db2.gz PWPWNLZXWDJBLE-UHFFFAOYSA-N 0 0 410.861 4.001 50 5 HIBARN Cc1cc(N2CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)c(F)cc1[N+](=O)[O-] ZINC000004498438 132277739 /nfs/dbraw/zinc/27/77/39/132277739.db2.gz DNKOJMPPJMTAOQ-UHFFFAOYSA-N 0 0 412.248 4.312 50 5 HIBARN O=C(c1cccc(OCc2ccccc2)c1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000005090878 132300428 /nfs/dbraw/zinc/30/04/28/132300428.db2.gz OPGRMOYMRIBXKP-UHFFFAOYSA-N 0 0 417.465 4.136 50 5 HIBARN Nc1nc(N2CCC(Cc3ccccc3)CC2)nc(Nc2ccccc2)c1[N+](=O)[O-] ZINC000006402831 132310805 /nfs/dbraw/zinc/31/08/05/132310805.db2.gz PVTLSEOPGLNKMT-UHFFFAOYSA-N 0 0 404.474 4.170 50 5 HIBARN O=C(Nc1ccccc1O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000012553671 132363267 /nfs/dbraw/zinc/36/32/67/132363267.db2.gz SKKACDXMPZJYQV-UHFFFAOYSA-N 0 0 409.364 4.174 50 5 HIBARN CN(Cc1ccccc1)C(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000012592547 132364752 /nfs/dbraw/zinc/36/47/52/132364752.db2.gz GLYPKYULLJMBSK-UHFFFAOYSA-N 0 0 421.419 4.489 50 5 HIBARN CSc1ccc(C)c(C(=O)N2CCN(c3ccc(Cl)cc3[N+](=O)[O-])CC2)c1 ZINC000024800083 132484578 /nfs/dbraw/zinc/48/45/78/132484578.db2.gz JQEPDSIERKPHCL-UHFFFAOYSA-N 0 0 405.907 4.241 50 5 HIBARN O=C(Oc1ccc(C2SCCS2)cc1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000041776838 526439619 /nfs/dbraw/zinc/43/96/19/526439619.db2.gz XBTBVLKTDXIFQP-UHFFFAOYSA-N 0 0 413.480 4.478 50 5 HIBARN Cc1nc(NC(=O)c2cccc([N+](=O)[O-])c2)sc1-c1nc(-c2ccccc2)no1 ZINC000031813976 526994214 /nfs/dbraw/zinc/99/42/14/526994214.db2.gz GXLZMSGHRYLMRO-UHFFFAOYSA-N 0 0 407.411 4.329 50 5 HIBARN O=C(Nc1ccccc1C(=O)NC1CC1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000032902402 527409154 /nfs/dbraw/zinc/40/91/54/527409154.db2.gz TTYLMKDUSAWRTF-UHFFFAOYSA-N 0 0 416.437 4.483 50 5 HIBARN CC(C)=C[C@@H]1[C@H](C(=O)N2CCN(c3ccc([N+](=O)[O-])c4cnccc43)CC2)C1(C)C ZINC000012558124 535371943 /nfs/dbraw/zinc/37/19/43/535371943.db2.gz LHZAUAYQSLJURN-WIYYLYMNSA-N 0 0 408.502 4.030 50 5 HIBARN CC(C)c1ccc(O[P@](C)(=O)NN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000004045160 535373397 /nfs/dbraw/zinc/37/33/97/535373397.db2.gz ZDDSPWVHAZUYEM-LJAQVGFWSA-N 0 0 418.434 4.247 50 5 HIBARN O=C1N[C@@H](c2ccc([N+](=O)[O-])cc2)Nc2sc3c(c21)CCN(Cc1ccccc1)C3 ZINC000022633537 557269437 /nfs/dbraw/zinc/26/94/37/557269437.db2.gz RUPXVOYRWMVWOM-HXUWFJFHSA-N 0 0 420.494 4.069 50 5 HIBARN COc1ccc(-n2c3ncn(CCC(C)C)c(=O)c3c3nc4ccccc4nc32)cc1 ZINC000002377472 557342129 /nfs/dbraw/zinc/34/21/29/557342129.db2.gz WACIUKLEATZEBV-UHFFFAOYSA-N 0 0 413.481 4.338 50 5 HIBARN Cn1c2ccccc2c(=O)c2c(=O)n(CCc3ccccc3)c(-c3cccs3)nc21 ZINC000002436860 557711652 /nfs/dbraw/zinc/71/16/52/557711652.db2.gz BPNRXJZYRHQHNY-UHFFFAOYSA-N 0 0 413.502 4.220 50 5 HIBARN COc1ccc(NC(=O)Cn2c3ccccc3c(=O)c3cc(C)ccc32)c(OC)c1 ZINC000006720326 557717059 /nfs/dbraw/zinc/71/70/59/557717059.db2.gz NGWZIRDBXNSIKI-UHFFFAOYSA-N 0 0 402.450 4.119 50 5 HIBARN CCOc1ccc2c(c1)c(=O)c1cccnc1n2CC(=O)Nc1ccccc1Cl ZINC000006901766 557729461 /nfs/dbraw/zinc/72/94/61/557729461.db2.gz ADVACZOQWVKUTN-UHFFFAOYSA-N 0 0 407.857 4.241 50 5 HIBARN CCCOC(=O)c1c(NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)sc2c1CCC2 ZINC000097653608 557843009 /nfs/dbraw/zinc/84/30/09/557843009.db2.gz JGZULIHWHNHUHH-FLIBITNWSA-N 0 0 400.456 4.364 50 5 HIBARN Cc1ccccc1-n1nnnc1[C@@H](c1ccccc1)N(C)Cc1ccc([N+](=O)[O-])cc1 ZINC000022077896 558779061 /nfs/dbraw/zinc/77/90/61/558779061.db2.gz DOSNUNYVPBCSLT-JOCHJYFZSA-N 0 0 414.469 4.100 50 5 HIBARN CCCCOc1ccc(-c2nnc3n2N=C(c2ccc([N+](=O)[O-])cc2)CS3)cc1 ZINC000004598336 558834409 /nfs/dbraw/zinc/83/44/09/558834409.db2.gz KHECULANCBHXCH-UHFFFAOYSA-N 0 0 409.471 4.390 50 5 HIBARN COc1ccc(Cl)cc1/C=C1\SC(=O)N(Cc2cccc([N+](=O)[O-])c2)C1=O ZINC000013546602 558842314 /nfs/dbraw/zinc/84/23/14/558842314.db2.gz XRNHUGARTOYHJG-SXGWCWSVSA-N 0 0 404.831 4.493 50 5 HIBARN CCCC(=O)OCCNc1cc(SCc2ccccc2)c2nonc2c1[N+](=O)[O-] ZINC000004677053 558889375 /nfs/dbraw/zinc/88/93/75/558889375.db2.gz GFLVJKOYNSXKDQ-UHFFFAOYSA-N 0 0 416.459 4.179 50 5 HIBARN COc1ccc(NC(=O)COc2cc(C)c(Br)c(C)c2)c([N+](=O)[O-])c1 ZINC000004702881 558906617 /nfs/dbraw/zinc/90/66/17/558906617.db2.gz YPTVOFODUSQPQM-UHFFFAOYSA-N 0 0 409.236 4.000 50 5 HIBARN COc1cc(-c2nc3c4sc5nc(C)cc(C)c5c4ncn3n2)cc(OC)c1OC ZINC000033326950 559059654 /nfs/dbraw/zinc/05/96/54/559059654.db2.gz AJFADFKDXKEVGP-UHFFFAOYSA-N 0 0 421.482 4.197 50 5 HIBARN COc1cc(/C=C/c2nc3ccccc3c(=O)n2-c2cccc([N+](=O)[O-])c2)ccc1O ZINC000004837482 559163653 /nfs/dbraw/zinc/16/36/53/559163653.db2.gz VTHBLLRKHAZODP-ZRDIBKRKSA-N 0 0 415.405 4.179 50 5 HIBARN Cc1ccc(Nc2nnc(SCC(=O)Nc3ccccc3[N+](=O)[O-])s2)cc1 ZINC000004835664 559165718 /nfs/dbraw/zinc/16/57/18/559165718.db2.gz SLSZQXFCZNZEIB-UHFFFAOYSA-N 0 0 401.473 4.229 50 5 HIBARN O=C(COC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)Nc1cccc2ccccc21 ZINC000004840515 559171266 /nfs/dbraw/zinc/17/12/66/559171266.db2.gz ICMQDIGPOUKODL-UHFFFAOYSA-N 0 0 419.437 4.144 50 5 HIBARN CC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccccc3[N+](=O)[O-])C(=O)[C@@H]12 ZINC000004851726 559190906 /nfs/dbraw/zinc/19/09/06/559190906.db2.gz HTPGJUNMOFOBDJ-ZKKFKWFVSA-N 0 0 410.429 4.166 50 5 HIBARN O=[N+]([O-])c1cccc2c(NS(=O)(=O)c3ccc(Br)cc3)cccc21 ZINC000004980344 559220342 /nfs/dbraw/zinc/22/03/42/559220342.db2.gz FDAUKMJEXWWGJN-UHFFFAOYSA-N 0 0 407.245 4.311 50 5 HIBARN O=C(COC(=O)c1ccccc1-c1ccccc1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1 ZINC000005003868 559226558 /nfs/dbraw/zinc/22/65/58/559226558.db2.gz OGMOZVYNBNOFAN-UHFFFAOYSA-N 0 0 406.350 4.210 50 5 HIBARN O=C(Nc1ccc([N+](=O)[O-])cc1)c1cccc(NC(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000005015207 559227623 /nfs/dbraw/zinc/22/76/23/559227623.db2.gz WMHUYRSVCBFNJZ-UHFFFAOYSA-N 0 0 406.354 4.008 50 5 HIBARN CCOc1ccc(NC(=O)c2cc(OCC)c(OCC)c(OCC)c2)c([N+](=O)[O-])c1 ZINC000005021052 559229659 /nfs/dbraw/zinc/22/96/59/559229659.db2.gz RJJAITSYEQQGPW-UHFFFAOYSA-N 0 0 418.446 4.442 50 5 HIBARN C[C@@H](OC(=O)c1cc2ccccc2cc1O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000005079207 559241959 /nfs/dbraw/zinc/24/19/59/559241959.db2.gz CBSZAKSDNIQGIL-LLVKDONJSA-N 0 0 414.801 4.291 50 5 HIBARN C[C@@H]1CCc2sc3c(c2C1)c1ncnn1c1nnc(SCc2ccccc2)n31 ZINC000005575198 560623346 /nfs/dbraw/zinc/62/33/46/560623346.db2.gz KYWGAWUEVXDXFA-GFCCVEGCSA-N 0 0 406.540 4.404 50 5 HIBARN C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)OCC(=O)c3ccc(F)cc3)cc2[N+](=O)[O-])C1 ZINC000005658326 560636975 /nfs/dbraw/zinc/63/69/75/560636975.db2.gz PVSJUGSOUOULES-HUUCEWRRSA-N 0 0 414.433 4.256 50 5 HIBARN Cc1[nH]nc2c1[C@H](c1cccc([N+](=O)[O-])c1)N(c1ccc(Br)cc1)C2=O ZINC000017252445 560705122 /nfs/dbraw/zinc/70/51/22/560705122.db2.gz CJIPLBAHMOOHNI-KRWDZBQOSA-N 0 0 413.231 4.139 50 5 HIBARN O=C(Nc1ccccc1)[C@@H]1CCCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1 ZINC000017823541 560728834 /nfs/dbraw/zinc/72/88/34/560728834.db2.gz RWNAUNATIDTCPL-CQSZACIVSA-N 0 0 409.467 4.300 50 5 HIBARN C[C@@H]1CC[C@@H]2C(=O)N(c3ccc(N(C)Cc4ccccc4)c([N+](=O)[O-])c3)C(=O)[C@@H]2C1 ZINC000102642432 560819671 /nfs/dbraw/zinc/81/96/71/560819671.db2.gz PTUKSPWBHCZNRF-AYOQOUSVSA-N 0 0 407.470 4.157 50 5 HIBARN CC1(C)Cc2cccc(OC3CCN(Cn4ncc5ccc([N+](=O)[O-])cc54)CC3)c2O1 ZINC000048289368 568434853 /nfs/dbraw/zinc/43/48/53/568434853.db2.gz YPXMHZRKXUIVHM-UHFFFAOYSA-N 0 0 422.485 4.159 50 5 HIBARN Cn1c(CNC(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)nc2ccccc21 ZINC000049590150 568453043 /nfs/dbraw/zinc/45/30/43/568453043.db2.gz LPALHOKLTCNIOR-UHFFFAOYSA-N 0 0 410.817 4.325 50 5 HIBARN Cc1cc2c(nc3s/c(=C\c4ccc(-c5ccccc5[N+](=O)[O-])o4)c(=O)n23)c(C)c1 ZINC000000653560 568457836 /nfs/dbraw/zinc/45/78/36/568457836.db2.gz OICPUFFVXMGTIC-ODLFYWEKSA-N 0 0 417.446 4.242 50 5 HIBARN CC12c3ccccc3C(C)(c3ccccc31)[C@H]1C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]12 ZINC000000705207 568462751 /nfs/dbraw/zinc/46/27/51/568462751.db2.gz RQFRHMUEMJAHKF-URFUVCHWSA-N 0 0 424.456 4.340 50 5 HIBARN COc1ccc(OC)c(CCC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c1 ZINC000024834282 568469846 /nfs/dbraw/zinc/46/98/46/568469846.db2.gz JADYSPBHRGXUFG-UHFFFAOYSA-N 0 0 413.455 4.307 50 5 HIBARN O=C(Nc1ccc(-c2nccs2)cc1)c1ccc([N+](=O)[O-])c(Br)n1 ZINC000095458333 568618967 /nfs/dbraw/zinc/61/89/67/568618967.db2.gz XUERAYXYDCYPHZ-UHFFFAOYSA-N 0 0 405.233 4.128 50 5 HIBARN Cc1ccccc1Cn1c2ccccc2n(CC(=O)c2ccc([N+](=O)[O-])cc2)c1=N ZINC000020841643 568644567 /nfs/dbraw/zinc/64/45/67/568644567.db2.gz BYVFNXMEILMAAK-UHFFFAOYSA-N 0 0 400.438 4.070 50 5 aggregator HIBARN Nc1c(C(=O)c2cccc([N+](=O)[O-])c2)sc2nc(N3CCCC3)c3c(c12)CCCC3 ZINC000020899880 568649621 /nfs/dbraw/zinc/64/96/21/568649621.db2.gz MHYNZGMBVHWEQS-UHFFFAOYSA-N 0 0 422.510 4.497 50 5 HIBARN COc1cc(C(=O)N(C)C[C@H]2CCCO2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000095940638 568661848 /nfs/dbraw/zinc/66/18/48/568661848.db2.gz HHPNYLWDMPBWOD-OAHLLOKOSA-N 0 0 420.849 4.300 50 5 HIBARN CC(=O)N1N=C(c2cc([N+](=O)[O-])ccc2Cl)O[C@H]1c1cccc(Br)c1 ZINC000021091808 568664219 /nfs/dbraw/zinc/66/42/19/568664219.db2.gz GTWBUZPBQIJTHG-INIZCTEOSA-N 0 0 424.638 4.250 50 5 HIBARN CC(=O)N1N=C(c2cc([N+](=O)[O-])ccc2Cl)O[C@@H]1c1cccc(Br)c1 ZINC000021091804 568664256 /nfs/dbraw/zinc/66/42/56/568664256.db2.gz GTWBUZPBQIJTHG-MRXNPFEDSA-N 0 0 424.638 4.250 50 5 HIBARN CCOc1cc2c(cc1N[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)O[C@@H](C)C2 ZINC000024986371 568694695 /nfs/dbraw/zinc/69/46/95/568694695.db2.gz NDPJBNNTMWQURY-NWDGAFQWSA-N 0 0 419.865 4.409 50 5 HIBARN O=C(C[C@H](c1c[nH]c2ccc([N+](=O)[O-])cc21)c1ccc(Cl)cc1)N1CCOCC1 ZINC000096276428 568715321 /nfs/dbraw/zinc/71/53/21/568715321.db2.gz UIKYCHDYTVTJSK-KRWDZBQOSA-N 0 0 413.861 4.110 50 5 HIBARN CCCN(CCc1nc(-c2cccc([N+](=O)[O-])c2)no1)C(=O)CCc1ccccc1 ZINC000096276959 568715508 /nfs/dbraw/zinc/71/55/08/568715508.db2.gz VIVSDBNBYMHDCT-UHFFFAOYSA-N 0 0 408.458 4.059 50 5 HIBARN CC[C@@H](C)N(CCc1nc(-c2cccc([N+](=O)[O-])c2)no1)C(=O)c1cccc(F)c1 ZINC000096277194 568715862 /nfs/dbraw/zinc/71/58/62/568715862.db2.gz KJUPNNMLVQWCTK-CQSZACIVSA-N 0 0 412.421 4.267 50 5 HIBARN CC[C@@H](C)N(CCc1nc(-c2cccc(C)c2)no1)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000096293111 568721396 /nfs/dbraw/zinc/72/13/96/568721396.db2.gz CHYREXSUQBODSC-MRXNPFEDSA-N 0 0 408.458 4.437 50 5 HIBARN O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000000942627 568752929 /nfs/dbraw/zinc/75/29/29/568752929.db2.gz ILNBLTVYAOCRPP-UHFFFAOYSA-N 0 0 410.813 4.497 50 5 HIBARN Cc1ccc(OCC(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)c(Br)c1 ZINC000000951562 568756705 /nfs/dbraw/zinc/75/67/05/568756705.db2.gz ZCRBMWVVHVUHJG-UHFFFAOYSA-N 0 0 422.260 4.293 50 5 HIBARN CSc1nnc2c(n1)O[C@@H](c1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccccc1-2 ZINC000000995313 568759857 /nfs/dbraw/zinc/75/98/57/568759857.db2.gz UUIJPMSNLWYWST-HNNXBMFYSA-N 0 0 401.835 4.325 50 5 HIBARN Cn1c(=N)n(CC(=O)c2cccc([N+](=O)[O-])c2)cc1-c1ccc(Cl)c(Cl)c1 ZINC000334157574 568763264 /nfs/dbraw/zinc/76/32/64/568763264.db2.gz NNZMNXMNXXPODX-UHFFFAOYSA-N 0 0 405.241 4.071 50 5 HIBARN COc1ccc([N+](=O)[O-])cc1NC(=O)CSCc1ccc(Br)cc1 ZINC000001058373 568765004 /nfs/dbraw/zinc/76/50/04/568765004.db2.gz CDVCHDIWUBTFFB-UHFFFAOYSA-N 0 0 411.277 4.238 50 5 HIBARN O=C(CSc1nnc(-c2ccco2)n1-c1ccccc1)Nc1cccc([N+](=O)[O-])c1 ZINC000001069616 568766239 /nfs/dbraw/zinc/76/62/39/568766239.db2.gz VUCCWBOUZQUTRS-UHFFFAOYSA-N 0 0 421.438 4.166 50 5 HIBARN Cc1nc(Cl)c(C(=O)NC(=O)Nc2ccccc2C(F)(F)F)c(C)c1[N+](=O)[O-] ZINC000001066561 568766691 /nfs/dbraw/zinc/76/66/91/568766691.db2.gz HYQQIOGQFZYEFY-UHFFFAOYSA-N 0 0 416.743 4.241 50 5 HIBARN O=C(Nc1cccc([N+](=O)[O-])c1)c1cc(N2C(=O)c3ccccc3C2=O)ccc1Cl ZINC000001088920 568769156 /nfs/dbraw/zinc/76/91/56/568769156.db2.gz KKCIQXVKUOFZCS-UHFFFAOYSA-N 0 0 421.796 4.301 50 5 HIBARN CCC(=O)N1N=C(c2ccc(Br)cc2)C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000001123367 568771392 /nfs/dbraw/zinc/77/13/92/568771392.db2.gz BYXULTGFFUFKFW-KRWDZBQOSA-N 0 0 402.248 4.445 50 5 HIBARN Cc1ccc(C)c(NC(=O)C2=C(C)NC(=O)N[C@@H]2c2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000001147691 568772571 /nfs/dbraw/zinc/77/25/71/568772571.db2.gz SUKOUNPRKFNTJC-GOSISDBHSA-N 0 0 414.849 4.132 50 5 HIBARN COc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccc(Br)cc1Cl ZINC000001134485 568773295 /nfs/dbraw/zinc/77/32/95/568773295.db2.gz HDYOEHHWMZOYAE-UHFFFAOYSA-N 0 0 415.627 4.037 50 5 HIBARN COc1cc(C(=S)N2CCCC2)ccc1OC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000001156293 568774283 /nfs/dbraw/zinc/77/42/83/568774283.db2.gz IGGWRRFRVNFAIX-UHFFFAOYSA-N 0 0 420.874 4.247 50 5 HIBARN CNc1ccc(C(=O)c2ccccc2C(=O)N(C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000028264581 568783718 /nfs/dbraw/zinc/78/37/18/568783718.db2.gz SDFATZBCQQGVDR-UHFFFAOYSA-N 0 0 403.438 4.140 50 5 HIBARN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccc(-c2nnc3n2CCCCC3)cc1 ZINC000002626616 568787409 /nfs/dbraw/zinc/78/74/09/568787409.db2.gz XEHQKGDRTDOTKJ-VGOFMYFVSA-N 0 0 403.442 4.232 50 5 HIBARN C[C@H](OC(=O)c1ccc(F)cc1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000002660424 568798894 /nfs/dbraw/zinc/79/88/94/568798894.db2.gz HSEJVUWTLUZHKK-NSHDSACASA-N 0 0 415.402 4.041 50 5 aggregator HIBARN CC[C@H](Sc1nc(C)cc(C)n1)C(=O)Nc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000002746452 568805980 /nfs/dbraw/zinc/80/59/80/568805980.db2.gz LLJIUHDFBJNHHZ-ZDUSSCGKSA-N 0 0 403.489 4.121 50 5 HIBARN CCn1ncc(Br)c1C(=O)Nc1ccc(-c2ccccc2[N+](=O)[O-])cc1 ZINC000002762981 568807098 /nfs/dbraw/zinc/80/70/98/568807098.db2.gz XKHVERHOAJLRQV-UHFFFAOYSA-N 0 0 415.247 4.493 50 5 HIBARN Cc1ccccc1NC(=O)c1cccc(Cn2cc(Br)c([N+](=O)[O-])n2)c1 ZINC000002762961 568807189 /nfs/dbraw/zinc/80/71/89/568807189.db2.gz XRZOZNILLCTKRX-UHFFFAOYSA-N 0 0 415.247 4.163 50 5 HIBARN COc1ccc(-c2nc3cc(NC(=O)COc4ccc([N+](=O)[O-])cc4)ccc3o2)cc1 ZINC000001185777 568821872 /nfs/dbraw/zinc/82/18/72/568821872.db2.gz PNZYBCVFULCOOT-UHFFFAOYSA-N 0 0 419.393 4.429 50 5 HIBARN Cc1c([C@@H](C)NC(=O)c2ccc([N+](=O)[O-])o2)cnn1-c1cccc(C(F)(F)F)c1 ZINC000029292554 568824132 /nfs/dbraw/zinc/82/41/32/568824132.db2.gz LSEWTTABQACOSF-SNVBAGLBSA-N 0 0 408.336 4.192 50 5 HIBARN O=C(Nc1ccc(I)cc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000001218412 568824896 /nfs/dbraw/zinc/82/48/96/568824896.db2.gz UOCAUIYGDAMXAE-UHFFFAOYSA-N 0 0 402.575 4.105 50 5 HIBARN CCCCc1ccc(NC(=S)NC(=O)c2ccc(OCC)c([N+](=O)[O-])c2)cc1 ZINC000002984991 568833109 /nfs/dbraw/zinc/83/31/09/568833109.db2.gz URJMQULIUNIVJG-UHFFFAOYSA-N 0 0 401.488 4.463 50 5 HIBARN Cc1ccc(C(=O)COC(=O)CCCC(=O)Nc2ccccc2Cl)cc1[N+](=O)[O-] ZINC000002985715 568833160 /nfs/dbraw/zinc/83/31/60/568833160.db2.gz CBPJZCJMSBPUKV-UHFFFAOYSA-N 0 0 418.833 4.092 50 5 HIBARN O=C(COc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1cccc(Br)c1 ZINC000002995811 568836157 /nfs/dbraw/zinc/83/61/57/568836157.db2.gz CBXAFWNBWYMLGD-UHFFFAOYSA-N 0 0 419.153 4.394 50 5 HIBARN COc1ccc(NC(=O)Cn2c3ccccc3c3nc4ccccc4nc32)c(OC)c1 ZINC000001906913 568840266 /nfs/dbraw/zinc/84/02/66/568840266.db2.gz CTOMAKJUXALUJR-UHFFFAOYSA-N 0 0 412.449 4.394 50 5 HIBARN COc1ccc(NS(=O)(=O)c2ccc(Oc3ccc(F)cc3[N+](=O)[O-])cc2)cc1 ZINC000012521080 568841446 /nfs/dbraw/zinc/84/14/46/568841446.db2.gz WYYSHWPYGZAPRQ-UHFFFAOYSA-N 0 0 418.402 4.336 50 5 HIBARN Cc1ccccc1OCCNC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000003095313 568854755 /nfs/dbraw/zinc/85/47/55/568854755.db2.gz WGMFJOZRPPFLRN-UHFFFAOYSA-N 0 0 414.405 4.209 50 5 HIBARN CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)Oc1ccc2c(c1)oc(=O)c1ccccc21 ZINC000003181903 568860322 /nfs/dbraw/zinc/86/03/22/568860322.db2.gz LHMXGOVSWXBCQC-IBGZPJMESA-N 0 0 411.454 4.401 50 5 HIBARN O=C1OC(c2cc(Cl)cc([N+](=O)[O-])c2)=N/C1=C/c1ccc(Br)cc1 ZINC000003320978 568880442 /nfs/dbraw/zinc/88/04/42/568880442.db2.gz IUFMKNMAKFPZQC-LHHJGKSTSA-N 0 0 407.607 4.355 50 5 HIBARN C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N(C)Cc1ccc(OC(F)F)cc1 ZINC000003396958 568895428 /nfs/dbraw/zinc/89/54/28/568895428.db2.gz KHOYEDUIIJMCRF-LLVKDONJSA-N 0 0 413.808 4.309 50 5 HIBARN O=C(OCc1ccc([N+](=O)[O-])cc1)c1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000003440759 568903577 /nfs/dbraw/zinc/90/35/77/568903577.db2.gz DDXRFXIWVIRWLO-UHFFFAOYSA-N 0 0 400.394 4.200 50 5 HIBARN COc1cc(OC)c(C(=O)OCc2cc(=O)oc3ccc4ccccc4c23)cc1OC ZINC000003514042 568911356 /nfs/dbraw/zinc/91/13/56/568911356.db2.gz KENMOQGPKNBOBX-UHFFFAOYSA-N 0 0 420.417 4.329 50 5 HIBARN CC(C)OCCCn1c(=O)c2ccccc2nc1SCc1ccc([N+](=O)[O-])cc1 ZINC000003543778 568914128 /nfs/dbraw/zinc/91/41/28/568914128.db2.gz BPAVFLFJHIVHRT-UHFFFAOYSA-N 0 0 413.499 4.412 50 5 HIBARN O=C(Nc1ccc2oc(-c3cc(F)ccc3Br)nc2c1)[C@@H]1CC1[N+](=O)[O-] ZINC000058430307 568917903 /nfs/dbraw/zinc/91/79/03/568917903.db2.gz FJVYGFCEKPDKPA-BXUZGUMPSA-N 0 0 420.194 4.000 50 5 HIBARN CCOC(=O)C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccccc1Cl ZINC000003622646 568920652 /nfs/dbraw/zinc/92/06/52/568920652.db2.gz CFQBPKDNBQQDIB-INIZCTEOSA-N 0 0 411.241 4.326 50 5 HIBARN C[C@H](CNc1ccc(Cl)cc1[N+](=O)[O-])NC(=O)c1cc(F)c(F)cc1Cl ZINC000004108261 568943843 /nfs/dbraw/zinc/94/38/43/568943843.db2.gz WSVBPGSYZZASFV-MRVPVSSYSA-N 0 0 404.200 4.410 50 5 HIBARN O=C(c1ccccc1C(F)(F)F)N1CCN=C1SCc1ccc([N+](=O)[O-])cc1 ZINC000004120115 568944728 /nfs/dbraw/zinc/94/47/28/568944728.db2.gz SEZHGFTWFFGFSX-UHFFFAOYSA-N 0 0 409.389 4.359 50 5 HIBARN O=C(C[C@@H]1Sc2ccc(C(F)(F)F)cc2NC1=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000004158872 568946958 /nfs/dbraw/zinc/94/69/58/568946958.db2.gz BPEOAIDGXHPDIH-AWEZNQCLSA-N 0 0 411.361 4.055 50 5 HIBARN O=C(CSc1ccc(Cl)cc1)Nc1nnc(-c2cccc([N+](=O)[O-])c2)s1 ZINC000004174457 568948410 /nfs/dbraw/zinc/94/84/10/568948410.db2.gz RQLJIJHAACMTEA-UHFFFAOYSA-N 0 0 406.876 4.498 50 5 aggregator HIBARN C[C@H](Sc1n[nH]c(-c2ccccc2)n1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000008072811 568971815 /nfs/dbraw/zinc/97/18/15/568971815.db2.gz QXARVUOVRIMEDF-JTQLQIEISA-N 0 0 403.851 4.153 50 5 HIBARN C[C@H](Oc1ccccc1[N+](=O)[O-])C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC000008312174 568988923 /nfs/dbraw/zinc/98/89/23/568988923.db2.gz JOHDYSDZFOTSMK-JTQLQIEISA-N 0 0 405.382 4.403 50 5 HIBARN Cc1ccc(C(=O)O[C@@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1 ZINC000008393243 568998639 /nfs/dbraw/zinc/99/86/39/568998639.db2.gz LAGNCBXAINXIBD-ZDUSSCGKSA-N 0 0 411.439 4.211 50 5 HIBARN O=C(Nc1ccc(I)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000001507500 569006919 /nfs/dbraw/zinc/00/69/19/569006919.db2.gz 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O=C(Nc1cccc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c1)c1ccc(F)cc1 ZINC000002053074 569072161 /nfs/dbraw/zinc/07/21/61/569072161.db2.gz MLAQDWHUZDGDKO-UHFFFAOYSA-N 0 0 424.344 4.147 50 5 HIBARN COc1cc(C(=O)Nc2ccc3c(c2)oc2ccccc2c3=O)cc(OC)c1OC ZINC000006660386 569083073 /nfs/dbraw/zinc/08/30/73/569083073.db2.gz IAYOTYRBVVHLEO-UHFFFAOYSA-N 0 0 405.406 4.224 50 5 HIBARN CCCCCCC(=O)Nc1ccc2nc3c(nc2c1)[nH]c(=O)n(C1CCCCC1)c3=O ZINC000006733137 569103754 /nfs/dbraw/zinc/10/37/54/569103754.db2.gz QJCJCUXGCVAEGM-UHFFFAOYSA-N 0 0 423.517 4.047 50 5 HIBARN Cc1ccc(N(Cc2ccccc2)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1F ZINC000036247201 569116501 /nfs/dbraw/zinc/11/65/01/569116501.db2.gz SJPKYGAGNRYQCY-UHFFFAOYSA-N 0 0 400.431 4.438 50 5 HIBARN O=C(Nc1ccccc1[N+](=O)[O-])c1cnn2c1nc(-c1ccccc1)cc2C(F)F ZINC000006829701 569143382 /nfs/dbraw/zinc/14/33/82/569143382.db2.gz DZWQKKKNFHVRSN-UHFFFAOYSA-N 0 0 409.352 4.494 50 5 HIBARN COc1cccc(C(=O)OCC(=O)c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)c1 ZINC000006847955 569151371 /nfs/dbraw/zinc/15/13/71/569151371.db2.gz TUZJTIKEXVILIS-UHFFFAOYSA-N 0 0 407.378 4.435 50 5 HIBARN C[C@@H](Nc1cccc(OC[C@H]2CCCO2)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000036394231 569168069 /nfs/dbraw/zinc/16/80/69/569168069.db2.gz RVWNRSHFJCMYJM-CXAGYDPISA-N 0 0 419.865 4.245 50 5 HIBARN O=C(CSc1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1)Nc1cccc(C(F)(F)F)c1 ZINC000006974980 569191682 /nfs/dbraw/zinc/19/16/82/569191682.db2.gz CCLQUHOHDSIURV-UHFFFAOYSA-N 0 0 423.376 4.130 50 5 HIBARN CCCc1ccc(C(=O)CCC(=O)OCC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 ZINC000007007844 569200809 /nfs/dbraw/zinc/20/08/09/569200809.db2.gz VONVHWYHOOIVSR-UHFFFAOYSA-N 0 0 412.442 4.001 50 5 HIBARN C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)c1ccc(Cl)c(N2CCCC2=O)c1 ZINC000007068993 569216230 /nfs/dbraw/zinc/21/62/30/569216230.db2.gz DRHYSKWEVXISFO-ZDUSSCGKSA-N 0 0 401.850 4.208 50 5 HIBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)CCc1ccc(-c2ccccc2)o1 ZINC000007293235 569232509 /nfs/dbraw/zinc/23/25/09/569232509.db2.gz XHRUGYLRCKPLPU-UHFFFAOYSA-N 0 0 408.410 4.278 50 5 HIBARN COc1ccc(Cl)cc1-c1nnc(SCC(=O)c2ccc([N+](=O)[O-])cc2)o1 ZINC000007342082 569234575 /nfs/dbraw/zinc/23/45/75/569234575.db2.gz YFCVGGFLRYRADE-UHFFFAOYSA-N 0 0 405.819 4.282 50 5 HIBARN O=C(CSc1nnc(COc2ccccc2)o1)c1cc([N+](=O)[O-])ccc1Cl ZINC000007342101 569234595 /nfs/dbraw/zinc/23/45/95/569234595.db2.gz WKBGHWJCKCQMIT-UHFFFAOYSA-N 0 0 405.819 4.185 50 5 HIBARN O=C(COc1ccc(Br)cc1)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000013301647 569254732 /nfs/dbraw/zinc/25/47/32/569254732.db2.gz QRSFBCIJEJFKCN-UHFFFAOYSA-N 0 0 419.153 4.394 50 5 HIBARN C[C@H]1CN(c2cc(Oc3cccc(F)c3)ncn2)CCN1Cc1cccc([N+](=O)[O-])c1 ZINC000037356254 569272814 /nfs/dbraw/zinc/27/28/14/569272814.db2.gz CHCROBPCRPLFQH-INIZCTEOSA-N 0 0 423.448 4.027 50 5 HIBARN C[C@@H](Oc1ccc(C(C)(C)C)cc1)c1nnc(SCn2cc([N+](=O)[O-])cn2)n1C ZINC000017090711 569274391 /nfs/dbraw/zinc/27/43/91/569274391.db2.gz VHGCBENKLLFEID-CYBMUJFWSA-N 0 0 416.507 4.107 50 5 HIBARN Cc1cc(C)c([N+](=O)[O-])cc1-c1ccc(C=c2sc3nc4ccccc4n3c2=O)o1 ZINC000252668512 569319140 /nfs/dbraw/zinc/31/91/40/569319140.db2.gz FGEHMMGNRVKYBF-UHFFFAOYSA-N 0 0 417.446 4.242 50 5 HIBARN CCCCCCn1c2nc3ccccc3nc2c2c1ncn(C[C@@H]1CCCO1)c2=O ZINC000002250298 569323932 /nfs/dbraw/zinc/32/39/32/569323932.db2.gz DXWJJSNIGNNHMF-INIZCTEOSA-N 0 0 405.502 4.054 50 5 HIBARN O=C(Nc1nnc(CSCc2ccccc2F)s1)c1ccc([N+](=O)[O-])cc1 ZINC000002269045 569326010 /nfs/dbraw/zinc/32/60/10/569326010.db2.gz DHLNSDSXJCPLTB-UHFFFAOYSA-N 0 0 404.448 4.271 50 5 HIBARN O=c1c2ccccc2nc(/C=C/c2cccc([N+](=O)[O-])c2)n1-c1ccccc1[N+](=O)[O-] ZINC000008922385 569390963 /nfs/dbraw/zinc/39/09/63/569390963.db2.gz OBTBXVBSOMPDLY-OUKQBFOZSA-N 0 0 414.377 4.373 50 5 HIBARN COc1ccc(C(=O)COc2cccc(NC(=O)c3cccc([N+](=O)[O-])c3)c2)cc1 ZINC000009445985 569392797 /nfs/dbraw/zinc/39/27/97/569392797.db2.gz PLCRDLBCBGBLEK-UHFFFAOYSA-N 0 0 406.394 4.117 50 5 HIBARN O=C(Nc1cccc2c1CN(CC(F)(F)F)C2)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000225426493 569395663 /nfs/dbraw/zinc/39/56/63/569395663.db2.gz OIONXAXQZMSLNL-UHFFFAOYSA-N 0 0 420.391 4.299 50 5 HIBARN COc1ccc(CN(C(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2ccccc2O)cc1 ZINC000012420705 569400988 /nfs/dbraw/zinc/40/09/88/569400988.db2.gz YMLBAWUXCXIAQR-UHFFFAOYSA-N 0 0 423.381 4.064 50 5 HIBARN COc1ccc(-c2noc(CN(C(=O)c3cccc([N+](=O)[O-])c3C)C(C)C)n2)cc1 ZINC000012654408 569402295 /nfs/dbraw/zinc/40/22/95/569402295.db2.gz PAZFACXZSSUHJL-UHFFFAOYSA-N 0 0 410.430 4.013 50 5 HIBARN CSc1ccc(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)cc1[N+](=O)[O-] ZINC000012973356 569405462 /nfs/dbraw/zinc/40/54/62/569405462.db2.gz LVIFMPODNUTLEG-HNNXBMFYSA-N 0 0 400.456 4.065 50 5 HIBARN Nc1ccc(C(=O)N2CCC[C@@H]2c2nc(-c3ccccc3Cl)c[nH]2)cc1[N+](=O)[O-] ZINC000078823675 569420813 /nfs/dbraw/zinc/42/08/13/569420813.db2.gz ILGRTJRXMZSHMU-QGZVFWFLSA-N 0 0 411.849 4.198 50 5 HIBARN Cc1cc(F)cc(C(=O)Nc2nc(-c3ccc4c(c3)OCCO4)cs2)c1[N+](=O)[O-] ZINC000079054583 569425840 /nfs/dbraw/zinc/42/58/40/569425840.db2.gz NSDRLIDUZBDEFH-UHFFFAOYSA-N 0 0 415.402 4.189 50 5 HIBARN Cc1ccc(C(=O)COC(=O)c2ccccc2NC(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000001173213 571043102 /nfs/dbraw/zinc/04/31/02/571043102.db2.gz DQIYNRZNERFZGG-UHFFFAOYSA-N 0 0 418.405 4.195 50 5 aggregator HIBARN CCOc1ccc(C(=O)NC(=S)Nc2cc(Cl)ccc2Cl)cc1[N+](=O)[O-] ZINC000001174370 571043174 /nfs/dbraw/zinc/04/31/74/571043174.db2.gz KYFIHIKEBYPREC-UHFFFAOYSA-N 0 0 414.270 4.427 50 5 HIBARN COc1ccc(-c2noc(-c3ccc(NCc4cccnc4)c([N+](=O)[O-])c3)n2)cc1 ZINC000008586910 571083496 /nfs/dbraw/zinc/08/34/96/571083496.db2.gz KMWJXDQPYRQPNG-UHFFFAOYSA-N 0 0 403.398 4.328 50 5 HIBARN CCOc1ccc(CN(C)[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1OC ZINC000008685005 571101613 /nfs/dbraw/zinc/10/16/13/571101613.db2.gz NSDHFKSOTNRSEI-ZDUSSCGKSA-N 0 0 421.881 4.115 50 5 HIBARN Cc1oc(-c2cccc([N+](=O)[O-])c2)cc1C(=O)N(C)Cc1cc(=O)[nH]c2ccccc12 ZINC000008743186 571110544 /nfs/dbraw/zinc/11/05/44/571110544.db2.gz VYSGRUSLQXBXRA-UHFFFAOYSA-N 0 0 417.421 4.277 50 5 HIBARN Cc1occc1-c1nnc(S[C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)n1C ZINC000008860724 571128459 /nfs/dbraw/zinc/12/84/59/571128459.db2.gz MTMOCLPICDKIKJ-LLVKDONJSA-N 0 0 412.431 4.195 50 5 HIBARN O=C(Nc1ccc([N+](=O)[O-])cn1)c1ccc(COc2ccccc2Br)o1 ZINC000008863691 571128973 /nfs/dbraw/zinc/12/89/73/571128973.db2.gz BFZUTSBEQUTYGY-UHFFFAOYSA-N 0 0 418.203 4.177 50 5 HIBARN C[C@@H](NC(=O)CCn1ncc2ccc([N+](=O)[O-])cc21)c1cccc(C(F)(F)F)c1 ZINC000040114870 571172572 /nfs/dbraw/zinc/17/25/72/571172572.db2.gz TYBVGYFJFCYTOQ-GFCCVEGCSA-N 0 0 406.364 4.231 50 5 HIBARN Cc1c(CSc2nnc(-c3cccnc3)n2Cc2ccco2)cccc1[N+](=O)[O-] ZINC000040127350 571179068 /nfs/dbraw/zinc/17/90/68/571179068.db2.gz VCGZZZXUNXMSKQ-UHFFFAOYSA-N 0 0 407.455 4.490 50 5 HIBARN O=C(c1cc([N+](=O)[O-])ccc1Oc1ccccc1)N1CCN(c2ccc(F)cc2)CC1 ZINC000040128421 571179608 /nfs/dbraw/zinc/17/96/08/571179608.db2.gz QPQGJQVQZSLZBQ-UHFFFAOYSA-N 0 0 421.428 4.489 50 5 HIBARN O=[N+]([O-])c1cccc(-c2nccn2C[C@@H](O)COc2c(Cl)cccc2Cl)c1 ZINC000040158407 571204958 /nfs/dbraw/zinc/20/49/58/571204958.db2.gz GDXGRUNUIIFIAV-CQSZACIVSA-N 0 0 408.241 4.205 50 5 HIBARN O=C(Nc1nc(COc2ccccc2)cs1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000009096957 571221067 /nfs/dbraw/zinc/22/10/67/571221067.db2.gz KYXMSWJOWBEIJO-UHFFFAOYSA-N 0 0 424.482 4.483 50 5 HIBARN Cc1nn2c(-c3ccccc3NC(=O)c3cccc([N+](=O)[O-])c3)nnc2c2ccccc12 ZINC000009187177 571235116 /nfs/dbraw/zinc/23/51/16/571235116.db2.gz GZRLXDDOJXQNIK-UHFFFAOYSA-N 0 0 424.420 4.413 50 5 HIBARN COc1cc(C(=O)Nc2nncs2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000009417863 571256356 /nfs/dbraw/zinc/25/63/56/571256356.db2.gz BMHNXVZTZLSAGC-UHFFFAOYSA-N 0 0 406.807 4.153 50 5 HIBARN Cn1c2ccccc2c(=O)c2c(=O)n(Cc3ccco3)c(-c3ccccc3Cl)nc21 ZINC000009487868 571262471 /nfs/dbraw/zinc/26/24/71/571262471.db2.gz JHGXSKZQTYDNER-UHFFFAOYSA-N 0 0 417.852 4.210 50 5 HIBARN Cc1cc([N+](=O)[O-])ccc1NC(=O)c1cccn(Cc2c(F)cccc2Cl)c1=O ZINC000010187767 571296106 /nfs/dbraw/zinc/29/61/06/571296106.db2.gz XUUOTHVANPVBFO-UHFFFAOYSA-N 0 0 415.808 4.158 50 5 HIBARN O=C(Nc1ccc(Cl)cc1Cl)c1ccc(=O)n(Cc2cccc([N+](=O)[O-])c2)c1 ZINC000010187949 571296242 /nfs/dbraw/zinc/29/62/42/571296242.db2.gz ZUDNKJADILBPON-UHFFFAOYSA-N 0 0 418.236 4.364 50 5 HIBARN Cc1ccc(NC(=O)C(=O)NCCC(c2ccccc2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000010327503 571300525 /nfs/dbraw/zinc/30/05/25/571300525.db2.gz ORVYWXGUNDWOPA-UHFFFAOYSA-N 0 0 417.465 4.180 50 5 HIBARN C[C@@H](Nc1cc(N2CCN(C(=O)c3ccco3)CC2)ccc1[N+](=O)[O-])c1ccccc1 ZINC000004092217 132271050 /nfs/dbraw/zinc/27/10/50/132271050.db2.gz PQKHKKYXMWZPAU-QGZVFWFLSA-N 0 0 420.469 4.323 50 5 HIBARN O=C(CC(c1ccccc1)c1ccccc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000004901185 132292199 /nfs/dbraw/zinc/29/21/99/132292199.db2.gz DPFFVNYRZKCMNU-UHFFFAOYSA-N 0 0 415.493 4.466 50 5 HIBARN C[C@H]1CN(c2ccc([N+](=O)[O-])cc2F)CCN1C(=O)c1ccc(Cl)cc1Cl ZINC000004949425 132296951 /nfs/dbraw/zinc/29/69/51/132296951.db2.gz BQUTYHGNZQYBJB-NSHDSACASA-N 0 0 412.248 4.392 50 5 HIBARN O=[N+]([O-])c1ccc(N2CCN(C(=S)Nc3ccccc3C(F)(F)F)CC2)cc1 ZINC000004999120 132297987 /nfs/dbraw/zinc/29/79/87/132297987.db2.gz XEMPKDJUJNOEKN-UHFFFAOYSA-N 0 0 410.421 4.133 50 5 HIBARN Nc1nc(NCc2ccccc2)nc(N2CCC(Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000005030402 132298986 /nfs/dbraw/zinc/29/89/86/132298986.db2.gz BRVLEULGENWYTB-UHFFFAOYSA-N 0 0 418.501 4.038 50 5 HIBARN O=C(Nc1ccc(-c2ccccc2)cc1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000006248276 132309943 /nfs/dbraw/zinc/30/99/43/132309943.db2.gz AFJVOOBFECYYPA-UHFFFAOYSA-N 0 0 403.438 4.351 50 5 HIBARN O=[N+]([O-])c1ccc(N2CCN(Cc3c(F)cccc3Cl)CC2)c2ccncc21 ZINC000012549524 132363015 /nfs/dbraw/zinc/36/30/15/132363015.db2.gz HSNMCUWDNCDGMM-UHFFFAOYSA-N 0 0 400.841 4.258 50 5 HIBARN CC(C)NC(=O)CSc1ncc(-c2cccc([N+](=O)[O-])c2)n1-c1ccc(F)cc1 ZINC000044087149 519709454 /nfs/dbraw/zinc/70/94/54/519709454.db2.gz TZCQYUVEGQMIEW-UHFFFAOYSA-N 0 0 414.462 4.203 50 5 HIBARN CC(=O)Nc1ccc(Nc2cc(N3CCC[C@@H](C)C3)c3nonc3c2[N+](=O)[O-])cc1 ZINC000005035133 534746763 /nfs/dbraw/zinc/74/67/63/534746763.db2.gz NPAVJODBEAENLO-GFCCVEGCSA-N 0 0 410.434 4.069 50 5 HIBARN COc1ccc([C@@H]2CCCN2C(=O)CCCNc2ccccc2[N+](=O)[O-])c(OC)c1 ZINC000032747578 525242768 /nfs/dbraw/zinc/24/27/68/525242768.db2.gz SNZGJKLXZHIGSO-IBGZPJMESA-N 0 0 413.474 4.168 50 5 HIBARN Cc1c(NC(=O)COc2ccc([N+](=O)[O-])cc2)cccc1-c1nc2ncccc2o1 ZINC000001184017 525836028 /nfs/dbraw/zinc/83/60/28/525836028.db2.gz ITBSZJDSINAHMB-UHFFFAOYSA-N 0 0 404.382 4.124 50 5 HIBARN O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NCC1(c2ccccc2)CC1 ZINC000032872015 526515461 /nfs/dbraw/zinc/51/54/61/526515461.db2.gz BISSIIDQXYIPFZ-UHFFFAOYSA-N 0 0 407.392 4.264 50 5 HIBARN O=C(c1ccccc1)N1C[C@@H](COc2ccccc2)O[C@@H](c2ccccc2[N+](=O)[O-])O1 ZINC000020509058 526795991 /nfs/dbraw/zinc/79/59/91/526795991.db2.gz PDSYWWWKKGZJCL-WMZHIEFXSA-N 0 0 420.421 4.145 50 5 HIBARN O=C(Nc1ccccc1N1CCc2ccccc2C1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000032801606 527427017 /nfs/dbraw/zinc/42/70/17/527427017.db2.gz JENGYDDWAUKCNX-UHFFFAOYSA-N 0 0 417.421 4.139 50 5 HIBARN CC(=O)Oc1cn(CCc2ccccc2F)c2nc(C)n3c4ccccc4nc3c12 ZINC000013228192 558527214 /nfs/dbraw/zinc/52/72/14/558527214.db2.gz WQLPAMQDWBEDOM-UHFFFAOYSA-N 0 0 402.429 4.453 50 5 HIBARN COc1cc(OC)cc(-n2cc(OC(C)=O)c3c4nc5ccccc5n4c(C)nc32)c1 ZINC000013540069 558537518 /nfs/dbraw/zinc/53/75/18/558537518.db2.gz QXAWGMLTNKGFHZ-UHFFFAOYSA-N 0 0 416.437 4.077 50 5 HIBARN O=C(Cn1c2ccccc2c(=O)c2cc([N+](=O)[O-])ccc21)Nc1ccc(Cl)cc1 ZINC000027533691 558674358 /nfs/dbraw/zinc/67/43/58/558674358.db2.gz GXSZJPXOENTDLN-UHFFFAOYSA-N 0 0 407.813 4.355 50 5 HIBARN COc1ccccc1CN(c1cccc(C)c1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000036247557 558798605 /nfs/dbraw/zinc/79/86/05/558798605.db2.gz ZICWBVIYWKNGFE-UHFFFAOYSA-N 0 0 412.467 4.307 50 5 HIBARN O=C1c2ccccc2C(=O)N1c1cccc(-c2nc(-c3ccc([N+](=O)[O-])cc3)no2)c1 ZINC000013786358 558868861 /nfs/dbraw/zinc/86/88/61/558868861.db2.gz WOZBRJHFAXERJX-UHFFFAOYSA-N 0 0 412.361 4.112 50 5 HIBARN CCOC(=O)C[C@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1Cl ZINC000004653473 558869154 /nfs/dbraw/zinc/86/91/54/558869154.db2.gz SVOFTTYNFKKIHB-HNNXBMFYSA-N 0 0 411.241 4.326 50 5 HIBARN Cc1c(C(=O)N2CCC[C@@H]2C(=O)Nc2cc(Cl)ccc2Cl)cccc1[N+](=O)[O-] ZINC000033133328 558888148 /nfs/dbraw/zinc/88/81/48/558888148.db2.gz WYVBUXOIMBDPCD-QGZVFWFLSA-N 0 0 422.268 4.453 50 5 HIBARN CCOC(=O)c1sc(NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)nc1C ZINC000004749103 559047297 /nfs/dbraw/zinc/04/72/97/559047297.db2.gz ZPXOBMGTUPURQW-UHFFFAOYSA-N 0 0 401.400 4.049 50 5 HIBARN COc1ccc2oc(C(=O)OCC(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])c(C)c2c1 ZINC000033557075 559209963 /nfs/dbraw/zinc/20/99/63/559209963.db2.gz BOOLEAXQEWNTNK-UHFFFAOYSA-N 0 0 418.789 4.107 50 5 HIBARN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H](OC(=O)c1ccco1)c1ccccc1 ZINC000004947543 559214066 /nfs/dbraw/zinc/21/40/66/559214066.db2.gz BDBNDAGDORNMPJ-KRWDZBQOSA-N 0 0 400.774 4.378 50 5 HIBARN Cc1ccc(NC(=O)CSc2nnc(NCc3ccccc3)s2)c([N+](=O)[O-])c1 ZINC000004997498 559226082 /nfs/dbraw/zinc/22/60/82/559226082.db2.gz PVLJKNAJBABRRV-UHFFFAOYSA-N 0 0 415.500 4.098 50 5 HIBARN Cc1ccc(NC(=O)/C(=C\c2ccccc2)NC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000005061424 559239242 /nfs/dbraw/zinc/23/92/42/559239242.db2.gz DLZKXKGRWYRGIL-KGENOOAVSA-N 0 0 401.422 4.313 50 5 HIBARN COc1ccc(NC(=S)NC(=O)CC23CC4CC(CC(C4)C2)C3)cc1[N+](=O)[O-] ZINC000005065262 559239387 /nfs/dbraw/zinc/23/93/87/559239387.db2.gz WKABEAQZQVVIRJ-UHFFFAOYSA-N 0 0 403.504 4.023 50 5 HIBARN Nc1ccc(C(=O)N2CCC[C@H]2c2nc(-c3ccccc3Cl)c[nH]2)cc1[N+](=O)[O-] ZINC000078823665 560540851 /nfs/dbraw/zinc/54/08/51/560540851.db2.gz ILGRTJRXMZSHMU-KRWDZBQOSA-N 0 0 411.849 4.198 50 5 HIBARN Cc1cc(N2C(=O)c3oc4c5ccccc5ccc4c(=O)c3[C@@H]2c2cccnc2)no1 ZINC000005322278 560568373 /nfs/dbraw/zinc/56/83/73/560568373.db2.gz ZPPPNGBICFOBMP-FQEVSTJZSA-N 0 0 409.401 4.387 50 5 HIBARN Cc1cc2oc(=O)cc(COC(=O)c3ccc(NC4CC4)c([N+](=O)[O-])c3)c2cc1C ZINC000005362034 560571889 /nfs/dbraw/zinc/57/18/89/560571889.db2.gz HLVFVFNDKTVBKF-UHFFFAOYSA-N 0 0 408.410 4.249 50 5 HIBARN CCCCOc1ccc(S(=O)(=O)N2CCS[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000017270982 560706547 /nfs/dbraw/zinc/70/65/47/560706547.db2.gz YZHZWTBXZFNDBH-IBGZPJMESA-N 0 0 422.528 4.210 50 5 HIBARN CN(C)c1ccc(C(=O)c2ccccc2C(=O)N(C)c2ccccc2)cc1[N+](=O)[O-] ZINC000024369082 560758419 /nfs/dbraw/zinc/75/84/19/560758419.db2.gz VMJHOTHBWUXJEG-UHFFFAOYSA-N 0 0 403.438 4.168 50 5 HIBARN O=[N+]([O-])c1ccc(N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)nc1 ZINC000018056390 560774150 /nfs/dbraw/zinc/77/41/50/560774150.db2.gz WLIKSIVHBZEATI-UHFFFAOYSA-N 0 0 410.424 4.180 50 5 HIBARN Cc1cc(I)ccc1Nc1c2ccccc2oc(=O)c1[N+](=O)[O-] ZINC000102528133 560815769 /nfs/dbraw/zinc/81/57/69/560815769.db2.gz HDOBGFYIVQQVRE-NBVRZTHBSA-N 0 0 422.178 4.192 50 5 HIBARN O=C(Nc1cccc(NC(=O)c2ccccc2[N+](=O)[O-])c1)c1ccccc1[N+](=O)[O-] ZINC000005717089 560828361 /nfs/dbraw/zinc/82/83/61/560828361.db2.gz AETWDXSRWKQWNC-UHFFFAOYSA-N 0 0 406.354 4.008 50 5 HIBARN CC[C@@H](NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1ccc(OC)cc1 ZINC000014808947 560852619 /nfs/dbraw/zinc/85/26/19/560852619.db2.gz DQJFODSEXNWCTA-OAQYLSRUSA-N 0 0 400.478 4.431 50 5 HIBARN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 ZINC000014861941 560875466 /nfs/dbraw/zinc/87/54/66/560875466.db2.gz CHJFRACFOFNOEO-UHFFFAOYSA-N 0 0 401.426 4.456 50 5 HIBARN O=C(NCc1cn(Cc2ccccc2)nc1-c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000012023079 560887023 /nfs/dbraw/zinc/88/70/23/560887023.db2.gz QFIBFKYGIWPEDZ-UHFFFAOYSA-N 0 0 412.449 4.437 50 5 HIBARN Cc1ccc(C(=O)c2cn(Cc3ccc([N+](=O)[O-])cc3)c3nc(C)ccc3c2=O)cc1 ZINC000046053796 568425583 /nfs/dbraw/zinc/42/55/83/568425583.db2.gz AXJPDUKOLDPNKK-UHFFFAOYSA-N 0 0 413.433 4.201 50 5 HIBARN CN(C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)c1cccc(Br)c1 ZINC000048287930 568435969 /nfs/dbraw/zinc/43/59/69/568435969.db2.gz CSOJOUUYYCCQIV-UHFFFAOYSA-N 0 0 418.291 4.237 50 5 HIBARN O=[N+]([O-])c1ccc(OS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])c(-c2cccs2)c1 ZINC000048324257 568438256 /nfs/dbraw/zinc/43/82/56/568438256.db2.gz PYPDUNRRJAPRIE-UHFFFAOYSA-N 0 0 424.387 4.138 50 5 HIBARN NC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000000676182 568461022 /nfs/dbraw/zinc/46/10/22/568461022.db2.gz JRHZXAYVELYWDQ-UHFFFAOYSA-N 0 0 415.858 4.257 50 5 HIBARN C[C@@]12C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@H]1C1c3ccccc3C2c2ccccc21 ZINC000000726993 568466064 /nfs/dbraw/zinc/46/60/64/568466064.db2.gz SPXYTUUSOLDXHY-SGDKSWKTSA-N 0 0 410.429 4.382 50 5 HIBARN O=C(/C=C/c1ccccc1)N[C@@H](Oc1cccc([N+](=O)[O-])c1)C(Cl)(Cl)Cl ZINC000000836586 568501686 /nfs/dbraw/zinc/50/16/86/568501686.db2.gz UXCGKJUYJZPQTC-SCOAYWHSSA-N 0 0 415.660 4.500 50 5 HIBARN O=C(Nc1ccccc1)[C@@H]1CCCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000095444948 568611560 /nfs/dbraw/zinc/61/15/60/568611560.db2.gz KXBOJXQTIRJFRT-QGZVFWFLSA-N 0 0 406.442 4.101 50 5 HIBARN O=C1c2cccc3c(Br)c([N+](=O)[O-])cc(c32)C(=O)N1Cc1ccccc1 ZINC000095470769 568626194 /nfs/dbraw/zinc/62/61/94/568626194.db2.gz UEEQVQHBQKHIOF-UHFFFAOYSA-N 0 0 411.211 4.307 50 5 HIBARN CC(=O)N1N=C(c2cc([N+](=O)[O-])ccc2Cl)O[C@@H]1c1ccc(Br)cc1 ZINC000021091865 568664211 /nfs/dbraw/zinc/66/42/11/568664211.db2.gz JBOHPXWDVPEOPQ-MRXNPFEDSA-N 0 0 424.638 4.250 50 5 HIBARN CCOC(=O)c1cc(C(=O)N(CC)C23CC4CC(CC(C4)C2)C3)cc([N+](=O)[O-])c1 ZINC000021336687 568687455 /nfs/dbraw/zinc/68/74/55/568687455.db2.gz NTWABCFECPDHJX-UHFFFAOYSA-N 0 0 400.475 4.202 50 5 HIBARN CCOc1cc2c(cc1N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)O[C@H](C)C2 ZINC000024986358 568694578 /nfs/dbraw/zinc/69/45/78/568694578.db2.gz NDPJBNNTMWQURY-NEPJUHHUSA-N 0 0 419.865 4.409 50 5 HIBARN CCCCN(CCc1nc(-c2cccc(OC)c2)no1)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000096276058 568715136 /nfs/dbraw/zinc/71/51/36/568715136.db2.gz BLUWSHLSRREMNE-UHFFFAOYSA-N 0 0 424.457 4.138 50 5 HIBARN Cc1ccc(C(=O)COC(=O)c2cccc(NC(=O)c3cccc([N+](=O)[O-])c3)c2)cc1 ZINC000000990464 568759654 /nfs/dbraw/zinc/75/96/54/568759654.db2.gz VRUQVIQVCCIVOD-UHFFFAOYSA-N 0 0 418.405 4.195 50 5 HIBARN CCOC(=O)c1ccc(SCC(=O)Nc2c(C)cc(C)cc2C)c([N+](=O)[O-])c1 ZINC000001037221 568764131 /nfs/dbraw/zinc/76/41/31/568764131.db2.gz CWAOFDYVZPWPAK-UHFFFAOYSA-N 0 0 402.472 4.428 50 5 HIBARN O=C(NC[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccc1SCc1ccsc1 ZINC000022061726 568764539 /nfs/dbraw/zinc/76/45/39/568764539.db2.gz NCPQQMXHXNOFRU-SFHVURJKSA-N 0 0 414.508 4.412 50 5 HIBARN C[C@H](OC(=O)c1ccccc1S(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000001115589 568770702 /nfs/dbraw/zinc/77/07/02/568770702.db2.gz GTIYHXXUZPUWOD-HNNXBMFYSA-N 0 0 411.435 4.346 50 5 HIBARN Cc1nn(C(=O)c2cc3ccccc3oc2=O)c(C)c1Sc1ccc([N+](=O)[O-])cc1 ZINC000001121741 568771136 /nfs/dbraw/zinc/77/11/36/568771136.db2.gz TVQAWTSUZYMPAZ-UHFFFAOYSA-N 0 0 421.434 4.354 50 5 HIBARN O=C(c1ccc([N+](=O)[O-])cc1)n1nc(-c2ccco2)nc1SCc1ccccc1 ZINC000001133143 568773249 /nfs/dbraw/zinc/77/32/49/568773249.db2.gz RWPIYAVJXHIHRB-UHFFFAOYSA-N 0 0 406.423 4.427 50 5 HIBARN O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1cccc(-c2nnc(-c3ccccc3)o2)c1 ZINC000001139630 568773737 /nfs/dbraw/zinc/77/37/37/568773737.db2.gz ULAJMCFOOHDTNQ-UHFFFAOYSA-N 0 0 400.394 4.493 50 5 HIBARN COc1cc(C=O)cc(Br)c1OC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000001162831 568775368 /nfs/dbraw/zinc/77/53/68/568775368.db2.gz SGTQPSGGLYQVDQ-UHFFFAOYSA-N 0 0 414.595 4.051 50 5 HIBARN O=C(Nc1cccc([N+](=O)[O-])c1)N[C@]1(C(F)(F)F)Oc2ccc(Cl)cc2O1 ZINC000002494438 568776421 /nfs/dbraw/zinc/77/64/21/568776421.db2.gz UEDROQUUWVWZDG-OAHLLOKOSA-N 0 0 403.700 4.057 50 5 HIBARN Cc1ccc2c(c1)[C@H](c1ccccc1)N(C(=O)c1ccc(C)c([N+](=O)[O-])c1)CC(=O)N2 ZINC000002686462 568800737 /nfs/dbraw/zinc/80/07/37/568800737.db2.gz LXMBRSFIYYOHPQ-QHCPKHFHSA-N 0 0 415.449 4.396 50 5 HIBARN CCOC(=O)c1c(C)c(C)sc1NC(=O)[C@H](C)Oc1ccc(C)cc1[N+](=O)[O-] ZINC000002743209 568805875 /nfs/dbraw/zinc/80/58/75/568805875.db2.gz DCSHLQCTBVPQCM-LBPRGKRZSA-N 0 0 406.460 4.164 50 5 HIBARN Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000002751432 568806562 /nfs/dbraw/zinc/80/65/62/568806562.db2.gz FNYSZVAPCUXAQF-UHFFFAOYSA-N 0 0 420.381 4.316 50 5 HIBARN Cc1ccc(F)c(NC(=O)c2ccn(COc3ccc([N+](=O)[O-])cc3Cl)n2)c1 ZINC000002799104 568809615 /nfs/dbraw/zinc/80/96/15/568809615.db2.gz GTNFENFDNJIYOG-UHFFFAOYSA-N 0 0 404.785 4.181 50 5 HIBARN Cc1cccc(OCCNC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 ZINC000002814207 568812141 /nfs/dbraw/zinc/81/21/41/568812141.db2.gz CDZAYTIRUQSMKW-UHFFFAOYSA-N 0 0 414.405 4.209 50 5 HIBARN COc1cccc(C(=O)Oc2c(Br)c3c(cc2[N+](=O)[O-])CCCC3)c1 ZINC000002849488 568813112 /nfs/dbraw/zinc/81/31/12/568813112.db2.gz FGAMABGMPZGCKH-UHFFFAOYSA-N 0 0 406.232 4.464 50 5 HIBARN CCOc1ccc(C(=O)NC(=S)Nc2ccccc2C(F)(F)F)cc1[N+](=O)[O-] ZINC000001171174 568818835 /nfs/dbraw/zinc/81/88/35/568818835.db2.gz QXONHVPJLWCXQR-UHFFFAOYSA-N 0 0 413.377 4.139 50 5 HIBARN O=C1CS[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)N1c1cccc(C(F)(F)F)c1 ZINC000002949855 568820705 /nfs/dbraw/zinc/82/07/05/568820705.db2.gz LJANXXQGEJOLHI-INIZCTEOSA-N 0 0 412.345 4.121 50 5 HIBARN CCOc1ccc(C(=O)Nc2cc3nn(-c4ccccc4)nc3cc2C)cc1[N+](=O)[O-] ZINC000001185135 568822318 /nfs/dbraw/zinc/82/23/18/568822318.db2.gz NZYUXIIQOIQPMS-UHFFFAOYSA-N 0 0 417.425 4.288 50 5 HIBARN O=[N+]([O-])c1ccc(Oc2ccc(S(=O)(=O)Nc3cccc([N+](=O)[O-])c3)cc2)cc1 ZINC000002952675 568829394 /nfs/dbraw/zinc/82/93/94/568829394.db2.gz WARFUQGREMQYEF-UHFFFAOYSA-N 0 0 415.383 4.096 50 5 HIBARN COc1cc(CN(C)C(=O)Cc2ccc([N+](=O)[O-])cc2)ccc1OCc1ccccc1 ZINC000025621009 568837638 /nfs/dbraw/zinc/83/76/38/568837638.db2.gz YZZPZZXURWBWNT-UHFFFAOYSA-N 0 0 420.465 4.384 50 5 HIBARN Cc1cccc(N[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2)C(Cl)(Cl)Cl)c1 ZINC000003118670 568856133 /nfs/dbraw/zinc/85/61/33/568856133.db2.gz IYGLLOYXTDRWBF-HNNXBMFYSA-N 0 0 402.665 4.441 50 5 HIBARN O=C1OC(c2ccc(Cl)c([N+](=O)[O-])c2)=N/C1=C\c1cc(Br)cs1 ZINC000015262489 568864828 /nfs/dbraw/zinc/86/48/28/568864828.db2.gz SJNVBZSJURZIQI-WZUFQYTHSA-N 0 0 413.636 4.417 50 5 HIBARN Cc1ccccc1Nc1nnc(SCC(=O)Nc2cccc([N+](=O)[O-])c2)s1 ZINC000003235186 568865532 /nfs/dbraw/zinc/86/55/32/568865532.db2.gz JDNFAKIWGHGTCC-UHFFFAOYSA-N 0 0 401.473 4.229 50 5 HIBARN CN(C)c1ccc(C(=O)NCc2ccc(-c3nc4ccccc4s3)o2)cc1[N+](=O)[O-] ZINC000012592593 568868556 /nfs/dbraw/zinc/86/85/56/568868556.db2.gz HUTILHGKKBXXKT-UHFFFAOYSA-N 0 0 422.466 4.461 50 5 HIBARN O=C(Cc1ccccc1)N[C@@H](Nc1cccc([N+](=O)[O-])c1)C(Cl)(Cl)Cl ZINC000001232871 568877451 /nfs/dbraw/zinc/87/74/51/568877451.db2.gz LBMXKOFQXSUZPV-OAHLLOKOSA-N 0 0 402.665 4.062 50 5 HIBARN Cc1ccccc1C(=O)N[C@H](Oc1ccccc1[N+](=O)[O-])C(Cl)(Cl)Cl ZINC000001232850 568880765 /nfs/dbraw/zinc/88/07/65/568880765.db2.gz ASXWHOUPKMFTPE-OAHLLOKOSA-N 0 0 403.649 4.408 50 5 HIBARN Cc1ccc(NC(=O)CSc2nnc(Nc3ccccc3F)s2)cc1[N+](=O)[O-] ZINC000003343564 568884177 /nfs/dbraw/zinc/88/41/77/568884177.db2.gz FJTPDPXQKFBHEA-UHFFFAOYSA-N 0 0 419.463 4.368 50 5 HIBARN O=C1OC(c2ccc(Cl)c([N+](=O)[O-])c2)=N/C1=C/c1csc(-c2ccccn2)n1 ZINC000058184248 568897853 /nfs/dbraw/zinc/89/78/53/568897853.db2.gz QTMBZVWBORAAMK-RIYZIHGNSA-N 0 0 412.814 4.111 50 5 HIBARN O=C(COc1ccc(Br)cc1Cl)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000003447358 568904781 /nfs/dbraw/zinc/90/47/81/568904781.db2.gz YTNLLHUTNRKQFX-UHFFFAOYSA-N 0 0 403.591 4.167 50 5 HIBARN COc1cc(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])ccc1N1CCCCC1=O ZINC000005441474 568906893 /nfs/dbraw/zinc/90/68/93/568906893.db2.gz DEFOCZBYZUXDKO-UHFFFAOYSA-N 0 0 403.822 4.026 50 5 HIBARN Cc1ccc(-n2ncc3c4nc(-c5cccc([N+](=O)[O-])c5)nn4cnc32)cc1Cl ZINC000001304409 568913524 /nfs/dbraw/zinc/91/35/24/568913524.db2.gz GREYNWFQYHVZQD-UHFFFAOYSA-N 0 0 405.805 4.000 50 5 HIBARN Cc1ccc(C)c(NC(=O)[C@@H](C)N2CCN(c3ccc(Cl)cc3[N+](=O)[O-])CC2)c1 ZINC000031305904 568922601 /nfs/dbraw/zinc/92/26/01/568922601.db2.gz XIYRAPSFUIGLDF-MRXNPFEDSA-N 0 0 416.909 4.014 50 5 HIBARN O=C(Nc1c2c(nn1-c1cccc(Cl)c1)CSC2)c1cccc([N+](=O)[O-])c1 ZINC000004088737 568941366 /nfs/dbraw/zinc/94/13/66/568941366.db2.gz YAHYVLVPABCOFV-UHFFFAOYSA-N 0 0 400.847 4.433 50 5 HIBARN Cc1ccc(C(=O)NC(=S)Nc2ccc(Cc3ccncc3)cc2)cc1[N+](=O)[O-] ZINC000004089720 568941697 /nfs/dbraw/zinc/94/16/97/568941697.db2.gz WWQLXJSQPNBHDH-UHFFFAOYSA-N 0 0 406.467 4.016 50 5 HIBARN CCC(=O)Nc1cccc(NS(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)c1C ZINC000012770864 568951689 /nfs/dbraw/zinc/95/16/89/568951689.db2.gz FCVJEMAUZOXDCI-UHFFFAOYSA-N 0 0 411.867 4.014 50 5 HIBARN Cc1cc(C)c(NC(=O)[C@@H](C)Sc2n[nH]c(-c3ccccc3[N+](=O)[O-])n2)c(C)c1 ZINC000059377089 568952208 /nfs/dbraw/zinc/95/22/08/568952208.db2.gz HAQQSZGIBUVGOW-CQSZACIVSA-N 0 0 411.487 4.424 50 5 HIBARN CCOC(=O)c1cnn(-c2ccc(C(=O)Nc3c(C)ccc([N+](=O)[O-])c3C)cc2)c1C ZINC000084800513 568960026 /nfs/dbraw/zinc/96/00/26/568960026.db2.gz DRTBYIFNWJMAIH-UHFFFAOYSA-N 0 0 422.441 4.135 50 5 HIBARN C[C@H]1CCc2sc(C(=O)OCC(=O)Nc3cc(Cl)ccc3[N+](=O)[O-])cc2C1 ZINC000006052568 568988239 /nfs/dbraw/zinc/98/82/39/568988239.db2.gz MLBNZEWDZXAYOZ-JTQLQIEISA-N 0 0 408.863 4.230 50 5 HIBARN O=C(CCSc1ccccc1Cl)OCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000006082815 568996505 /nfs/dbraw/zinc/99/65/05/568996505.db2.gz JYNUPGDXTFWBRM-UHFFFAOYSA-N 0 0 409.847 4.340 50 5 HIBARN COc1ccc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2NCc2ccccc2)cc1 ZINC000008398904 568998056 /nfs/dbraw/zinc/99/80/56/568998056.db2.gz GHPHMBLTNWEIEW-UHFFFAOYSA-N 0 0 422.397 4.376 50 5 HIBARN COc1ccc(N2C(=O)C(=Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)NC2=S)cc1 ZINC000008399663 568998380 /nfs/dbraw/zinc/99/83/80/568998380.db2.gz SDLPDPVPRQOCGL-PDGQHHTCSA-N 0 0 421.434 4.126 50 5 HIBARN CCOc1cc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3Cl)CC2)ccc1Cl ZINC000015821635 569010500 /nfs/dbraw/zinc/01/05/00/569010500.db2.gz LYOVZKZPAAQJQW-UHFFFAOYSA-N 0 0 424.284 4.263 50 5 HIBARN COc1ccc(C(=O)Nc2cccc(NC(=O)Nc3ccccc3)c2)cc1[N+](=O)[O-] ZINC000012908455 569021627 /nfs/dbraw/zinc/02/16/27/569021627.db2.gz VBEBTVSZRVTKSG-UHFFFAOYSA-N 0 0 406.398 4.500 50 5 HIBARN O=C(OCc1ccccc1)c1c2nc3ccccc3nc2n2c1[nH]c(=O)c1ccccc12 ZINC000006143820 569027438 /nfs/dbraw/zinc/02/74/38/569027438.db2.gz NLZHDUITZZJEDU-UHFFFAOYSA-N 0 0 420.428 4.234 50 5 HIBARN CCOc1cc2c(cc1NC(=O)c1ccc(N3CCCC3)c([N+](=O)[O-])c1)O[C@@H](C)C2 ZINC000016302602 569030973 /nfs/dbraw/zinc/03/09/73/569030973.db2.gz WUTWBNZHQNIXRY-AWEZNQCLSA-N 0 0 411.458 4.169 50 5 HIBARN O=[N+]([O-])c1cccc(S(=O)(=O)NCCSCc2ccc(Cl)cc2Cl)c1 ZINC000016399667 569041106 /nfs/dbraw/zinc/04/11/06/569041106.db2.gz XUONHSATCIIRKL-UHFFFAOYSA-N 0 0 421.327 4.113 50 5 HIBARN Cc1c(NC(=O)c2ccc([N+](=O)[O-])o2)cccc1C(=O)N1CCc2sccc2C1 ZINC000013015024 569050807 /nfs/dbraw/zinc/05/08/07/569050807.db2.gz GMZFKIXHZGMRMT-UHFFFAOYSA-N 0 0 411.439 4.009 50 5 HIBARN CCOC(=O)c1sc(NC(=O)c2ccc([N+](=O)[O-])s2)nc1-c1ccccc1 ZINC000001746108 569051388 /nfs/dbraw/zinc/05/13/88/569051388.db2.gz FOSQVTPQHYDQAE-UHFFFAOYSA-N 0 0 403.441 4.209 50 5 HIBARN CC(C)c1ccc(-c2nn3c(nc2=O)c2ccccc2nc3[C@H](C)SCCO)cc1 ZINC000521398867 569061510 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CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N[C@@H]2C[C@@H]2c2c(F)cccc2F)CC1 ZINC000170629084 569250742 /nfs/dbraw/zinc/25/07/42/569250742.db2.gz NTHZYBBBROFBDE-HNAYVOBHSA-N 0 0 415.440 4.395 50 5 HIBARN Cc1cc(=O)oc2cc(NC(=O)Cn3c4ccccc4c(=O)c4ccccc43)ccc12 ZINC000014261798 569259297 /nfs/dbraw/zinc/25/92/97/569259297.db2.gz XWCKRERNLUXQTP-UHFFFAOYSA-N 0 0 410.429 4.208 50 5 HIBARN CN(Cc1ccccc1)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)Cl ZINC000016790787 569263131 /nfs/dbraw/zinc/26/31/31/569263131.db2.gz SFEPIZHTYYETKB-MRXNPFEDSA-N 0 0 416.692 4.153 50 5 HIBARN COP(=O)(OC)c1nc(-c2ccc([N+](=O)[O-])cc2)oc1NCCc1ccccc1 ZINC000016806340 569263161 /nfs/dbraw/zinc/26/31/61/569263161.db2.gz XOQJIRIIOIPNPS-UHFFFAOYSA-N 0 0 417.358 4.016 50 5 HIBARN C[C@H](Oc1ccc(C(C)(C)C)cc1)c1nnc(SCn2cc([N+](=O)[O-])cn2)n1C ZINC000017090712 569273325 /nfs/dbraw/zinc/27/33/25/569273325.db2.gz VHGCBENKLLFEID-ZDUSSCGKSA-N 0 0 416.507 4.107 50 5 HIBARN Cc1cccc(C(=O)N/C(=C\c2ccc([N+](=O)[O-])cc2)C(=O)Nc2cccc(F)c2)c1 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Cc1nn(-c2ccccc2)c(Cl)c1/C=C1\N=C(c2ccc(C)c([N+](=O)[O-])c2)OC1=O ZINC000009065235 571217789 /nfs/dbraw/zinc/21/77/89/571217789.db2.gz FDGFRCJHFIDQET-BOPFTXTBSA-N 0 0 422.828 4.395 50 5 HIBARN O=C(Nc1ncc2c(n1)C[C@H](c1ccc(Cl)cc1)CC2=O)c1ccc([N+](=O)[O-])cc1 ZINC000009185608 571234917 /nfs/dbraw/zinc/23/49/17/571234917.db2.gz LSROVNQGDVRQPQ-AWEZNQCLSA-N 0 0 422.828 4.203 50 5 HIBARN COc1ccc(C(=O)N(Cc2nc(-c3cccc(C)c3)no2)C(C)C)cc1[N+](=O)[O-] ZINC000009227093 571239059 /nfs/dbraw/zinc/23/90/59/571239059.db2.gz LPVHXMBZBSZZEO-UHFFFAOYSA-N 0 0 410.430 4.013 50 5 HIBARN COc1ccc(OC)c(Nc2nc(Nc3ccc(C)c(C)c3)nc(N)c2[N+](=O)[O-])c1 ZINC000009242492 571240945 /nfs/dbraw/zinc/24/09/45/571240945.db2.gz BDUWSVJVKDJWIT-UHFFFAOYSA-N 0 0 410.434 4.088 50 5 HIBARN O=C(c1ccc(Br)cc1)N1CCN=C1SCc1ccc([N+](=O)[O-])cc1 ZINC000009381055 571253809 /nfs/dbraw/zinc/25/38/09/571253809.db2.gz PWRBJGISYWDEEY-UHFFFAOYSA-N 0 0 420.288 4.103 50 5 HIBARN Cc1ccc2[nH]c(SCC(=O)Nc3ccc([N+](=O)[O-])cc3Br)nc2c1 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O=C(NC12CC3CC(CC(C3)C1)C2)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000004624137 132280628 /nfs/dbraw/zinc/28/06/28/132280628.db2.gz ARQJRAATBWWKNZ-UHFFFAOYSA-N 0 0 418.925 4.049 50 5 HIBARN Cc1ccc(-c2ccc(C(=O)Nc3ccc(N4CCOCC4)cc3)o2)c([N+](=O)[O-])c1 ZINC000004746922 132287046 /nfs/dbraw/zinc/28/70/46/132287046.db2.gz OQNGCMUENGRXID-UHFFFAOYSA-N 0 0 407.426 4.252 50 5 HIBARN CCc1ccc(NC(=S)NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1 ZINC000004810778 132289151 /nfs/dbraw/zinc/28/91/51/132289151.db2.gz QXXQOSPDDYAXDD-UHFFFAOYSA-N 0 0 412.515 4.274 50 5 HIBARN Cc1ccc2cc3cc(C(=O)N4CCN(c5ccc([N+](=O)[O-])cc5)CC4)oc3nc2c1 ZINC000004906071 132292773 /nfs/dbraw/zinc/29/27/73/132292773.db2.gz VQFXNXKOQUTJQQ-UHFFFAOYSA-N 0 0 416.437 4.160 50 5 HIBARN Cc1ccc(C)n1-c1sccc1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000007149738 132322555 /nfs/dbraw/zinc/32/25/55/132322555.db2.gz BTHXJFXJPDRBKG-UHFFFAOYSA-N 0 0 410.499 4.026 50 5 HIBARN CC(C)c1noc([C@@H](C)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)n1 ZINC000012536325 132362191 /nfs/dbraw/zinc/36/21/91/132362191.db2.gz ZCWDCIMPQLUUFT-GFCCVEGCSA-N 0 0 413.400 4.003 50 5 HIBARN COC(=O)c1ccccc1C(=O)c1ccc(N2CCc3sccc3C2)c([N+](=O)[O-])c1 ZINC000012538289 132362402 /nfs/dbraw/zinc/36/24/02/132362402.db2.gz ALCZMKOGRCDMBP-UHFFFAOYSA-N 0 0 422.462 4.237 50 5 HIBARN CCOc1ccc(NC(=O)COC(=O)c2cc3c(s2)CCCCC3)c([N+](=O)[O-])c1 ZINC000032638821 521065929 /nfs/dbraw/zinc/06/59/29/521065929.db2.gz GDKSOJDXLXWDQD-UHFFFAOYSA-N 0 0 418.471 4.119 50 5 HIBARN CCOC(=O)c1cc(CC)sc1NC(=O)CSc1ccsc1[N+](=O)[O-] ZINC000032933511 521433406 /nfs/dbraw/zinc/43/34/06/521433406.db2.gz UUBCKUJDAWKDSY-UHFFFAOYSA-N 0 0 400.503 4.188 50 5 HIBARN CCOc1ccccc1NC(=O)c1nn(C23CC4CC(CC(C4)C2)C3)cc1[N+](=O)[O-] ZINC000020516232 521552262 /nfs/dbraw/zinc/55/22/62/521552262.db2.gz SEPXHCIHZYCGNO-UHFFFAOYSA-N 0 0 410.474 4.368 50 5 HIBARN Cc1cccc(Oc2ccccc2NC(=O)CNC(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000032850713 524788601 /nfs/dbraw/zinc/78/86/01/524788601.db2.gz NTFYBVRUHMNAGJ-UHFFFAOYSA-N 0 0 419.437 4.372 50 5 HIBARN O=C(C[C@@H](c1cccs1)N1Cc2ccccc2C1=O)Nc1cccc([N+](=O)[O-])c1 ZINC000020560898 527098069 /nfs/dbraw/zinc/09/80/69/527098069.db2.gz FPEHGQMJDGJYFC-SFHVURJKSA-N 0 0 407.451 4.382 50 5 HIBARN Cc1nccc(-c2cccc(NC(=O)C3CCN(c4ccccc4[N+](=O)[O-])CC3)c2)n1 ZINC000032025534 527324238 /nfs/dbraw/zinc/32/42/38/527324238.db2.gz UKVDBJWDMGQGJG-UHFFFAOYSA-N 0 0 417.469 4.215 50 5 HIBARN Cc1cc(C)n(-c2nn3c(=O)c4c5c(sc4nc3c3ccccc32)C[C@@H](C)CC5)n1 ZINC000000628575 557024281 /nfs/dbraw/zinc/02/42/81/557024281.db2.gz JEZDGBMGEVNOCH-LBPRGKRZSA-N 0 0 415.522 4.385 50 5 HIBARN Cc1cc(NC(=O)[C@H](Sc2nc3cc([N+](=O)[O-])ccc3[nH]2)c2ccccc2)no1 ZINC000020353812 558357221 /nfs/dbraw/zinc/35/72/21/558357221.db2.gz MTEAYIOXFNXLMG-QGZVFWFLSA-N 0 0 409.427 4.240 50 5 HIBARN O=C(CSc1ncnc2sc3c(c21)CCCC3)Nc1ccc([N+](=O)[O-])cc1 ZINC000004349150 558424615 /nfs/dbraw/zinc/42/46/15/558424615.db2.gz GKPNJPXYJKXJPB-UHFFFAOYSA-N 0 0 400.485 4.209 50 5 HIBARN CCOc1ccc(CCC2CCN(C(=O)COc3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000010994106 558646351 /nfs/dbraw/zinc/64/63/51/558646351.db2.gz PCNOONQAFDVRGV-UHFFFAOYSA-N 0 0 412.486 4.244 50 5 HIBARN Cc1ccccc1NC(=O)CCCC(=O)OCC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004520475 558651942 /nfs/dbraw/zinc/65/19/42/558651942.db2.gz NLQCZNSXYQKPHU-UHFFFAOYSA-N 0 0 418.833 4.092 50 5 HIBARN O=C(Cn1c2ccccc2c(=O)c2ccccc21)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000026363749 558659691 /nfs/dbraw/zinc/65/96/91/558659691.db2.gz SQGZWBXNCATBDW-HUUCEWRRSA-N 0 0 402.416 4.392 50 5 HIBARN O=C(C=Cc1ccc(Cl)c([N+](=O)[O-])c1)NC(=S)NC12CC3CC(CC(C3)C1)C2 ZINC000004546471 558662261 /nfs/dbraw/zinc/66/22/61/558662261.db2.gz XINBAYVJNVATMF-DUXPYHPUSA-N 0 0 419.934 4.221 50 5 HIBARN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@@H]1c1nc(-c2ccccc2F)c[nH]1 ZINC000072305165 558757862 /nfs/dbraw/zinc/75/78/62/558757862.db2.gz GRGSMKDHVYTTNC-HXUWFJFHSA-N 0 0 423.448 4.208 50 5 HIBARN Cc1nc2ccccc2c(=O)n1-c1cccc(NC(=O)c2cccc([N+](=O)[O-])c2C)c1 ZINC000004585461 558784225 /nfs/dbraw/zinc/78/42/25/558784225.db2.gz HIWGLHBPNBDITI-UHFFFAOYSA-N 0 0 414.421 4.163 50 5 HIBARN CC(C)[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)OCc1ccc([N+](=O)[O-])cc1 ZINC000004589013 558788883 /nfs/dbraw/zinc/78/88/83/558788883.db2.gz YLZUVENCFQKJRA-FQEVSTJZSA-N 0 0 412.486 4.390 50 5 HIBARN O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CCCC[C@H]1c1nc2ccccc2s1 ZINC000046321591 558842492 /nfs/dbraw/zinc/84/24/92/558842492.db2.gz XUGRXGJBQKWDRT-INIZCTEOSA-N 0 0 407.455 4.448 50 5 HIBARN O=[N+]([O-])c1ccccc1Oc1ccc2nnc(-c3ccc(Br)cc3)n2n1 ZINC000013723667 558858863 /nfs/dbraw/zinc/85/88/63/558858863.db2.gz OLVIJAYXIJPQAJ-UHFFFAOYSA-N 0 0 412.203 4.254 50 5 HIBARN COc1cccc(NC(=O)c2ccc(NCc3ccccc3OC)c([N+](=O)[O-])c2)c1 ZINC000004668246 558878293 /nfs/dbraw/zinc/87/82/93/558878293.db2.gz PAAPKLPTYTVVFB-UHFFFAOYSA-N 0 0 407.426 4.476 50 5 HIBARN O=C(COC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 ZINC000013856542 558886458 /nfs/dbraw/zinc/88/64/58/558886458.db2.gz FWWDQKMTBIVMTO-UHFFFAOYSA-N 0 0 422.349 4.335 50 5 HIBARN O=C1[C@H]2CC=CC[C@@H]2C(=O)N1c1ccc(Nc2ccc3c(c2)CCC3)c([N+](=O)[O-])c1 ZINC000004683894 558894662 /nfs/dbraw/zinc/89/46/62/558894662.db2.gz NKMMJQZPCXRXCG-OALUTQOASA-N 0 0 403.438 4.283 50 5 HIBARN CCOc1ccc(Nc2ccc(N3C(=O)[C@@H]4CC=CC[C@H]4C3=O)cc2[N+](=O)[O-])cc1 ZINC000004684050 558895047 /nfs/dbraw/zinc/89/50/47/558895047.db2.gz SVFGLKGABBYWDD-QZTJIDSGSA-N 0 0 407.426 4.193 50 5 HIBARN Cc1c(C(=O)NC(=S)Nc2ccc(N3CCCC3)c(Cl)c2)cccc1[N+](=O)[O-] ZINC000004688548 558898966 /nfs/dbraw/zinc/89/89/66/558898966.db2.gz QHLHTOJVCJJYPA-UHFFFAOYSA-N 0 0 418.906 4.284 50 5 HIBARN O=C1CCCN1Cc1ccc(-c2ccccc2CNc2ncccc2[N+](=O)[O-])cc1 ZINC000023055019 558994280 /nfs/dbraw/zinc/99/42/80/558994280.db2.gz AQNYXKKVGVEEMI-UHFFFAOYSA-N 0 0 402.454 4.391 50 5 HIBARN Cc1cccc(C(=O)N[C@@H](Nc2ccc([N+](=O)[O-])cc2)C(Cl)(Cl)Cl)c1 ZINC000004774866 559056832 /nfs/dbraw/zinc/05/68/32/559056832.db2.gz DRQOQULZMYFVCD-OAHLLOKOSA-N 0 0 402.665 4.441 50 5 HIBARN Cc1sc(C(=O)Nc2ccccc2)c2c1C(=O)N[C@H](c1ccc([N+](=O)[O-])cc1)N2 ZINC000004837068 559166234 /nfs/dbraw/zinc/16/62/34/559166234.db2.gz ZOMSTGYTELOCGZ-GOSISDBHSA-N 0 0 408.439 4.071 50 5 HIBARN Cc1ccc(NC(=O)CSc2nnc3cc(C)c4ccccc4n32)c([N+](=O)[O-])c1 ZINC000004843544 559177291 /nfs/dbraw/zinc/17/72/91/559177291.db2.gz BUNIZFVAWWLRMF-UHFFFAOYSA-N 0 0 407.455 4.138 50 5 HIBARN O=C(Nc1ccc(Br)cc1F)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000004983365 559223320 /nfs/dbraw/zinc/22/33/20/559223320.db2.gz WNFJCHALKZKIFY-UHFFFAOYSA-N 0 0 408.227 4.349 50 5 HIBARN Cc1[nH]c2ccc(OC(F)(F)F)cc2c1CCNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000001072222 560180370 /nfs/dbraw/zinc/18/03/70/560180370.db2.gz LVYDWCHLXYSJFI-UHFFFAOYSA-N 0 0 407.348 4.256 50 5 biogenic,in-vitro HIBARN O=c1c2ccccc2nc(/C=C\c2ccccc2[N+](=O)[O-])n1-c1ccc([N+](=O)[O-])cc1 ZINC000033926940 560540048 /nfs/dbraw/zinc/54/00/48/560540048.db2.gz GQVOGBJKUGIKEU-ZROIWOOFSA-N 0 0 414.377 4.373 50 5 HIBARN CCOc1ccc(NC(=O)c2cc(=O)c3cc(Cl)c(C)cc3o2)c([N+](=O)[O-])c1 ZINC000005341804 560567850 /nfs/dbraw/zinc/56/78/50/560567850.db2.gz XFDDNQFRSIWWGR-UHFFFAOYSA-N 0 0 402.790 4.314 50 5 HIBARN Cn1ccnc1S[C@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 ZINC000005358425 560569668 /nfs/dbraw/zinc/56/96/68/560569668.db2.gz UXLRVKLYWIKIED-INIZCTEOSA-N 0 0 402.863 4.454 50 5 HIBARN Cn1c2ccc(Br)cc2s/c1=N\C(=O)/C=C/c1ccc([N+](=O)[O-])s1 ZINC000100846036 560760218 /nfs/dbraw/zinc/76/02/18/560760218.db2.gz IJXRQFXCQJERBG-DCOXMYTLSA-N 0 0 424.301 4.113 50 5 HIBARN COCCn1c2ccc(Cl)cc2s/c1=N\C(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000100872493 560760581 /nfs/dbraw/zinc/76/05/81/560760581.db2.gz SGBJNQBWBICZOZ-DYBBPNSKSA-N 0 0 417.874 4.052 50 5 HIBARN O=C1[C@@H]2CC=CC[C@@H]2C(=O)N1c1ccc(Nc2ccc3c(c2)CCC3)c([N+](=O)[O-])c1 ZINC000102784712 560827430 /nfs/dbraw/zinc/82/74/30/560827430.db2.gz NKMMJQZPCXRXCG-KDURUIRLSA-N 0 0 403.438 4.283 50 5 HIBARN O=c1oc2ccc([N+](=O)[O-])cc2n1CN1CCCC[C@@H]1c1nc2ccccc2s1 ZINC000048288159 568434815 /nfs/dbraw/zinc/43/48/15/568434815.db2.gz CMKCNAIXZBEKAC-OAHLLOKOSA-N 0 0 410.455 4.297 50 5 HIBARN CCC[C@H]1CCc2c(sc(NC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)c2C(N)=O)C1 ZINC000000667485 568460022 /nfs/dbraw/zinc/46/00/22/568460022.db2.gz KBOGDXRUAUCMKZ-OIOXUXFSSA-N 0 0 413.499 4.312 50 5 HIBARN Cc1cc(Br)cc(C)c1NC(=S)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000000678698 568460710 /nfs/dbraw/zinc/46/07/10/568460710.db2.gz ZBBOKSXIVSCENU-UHFFFAOYSA-N 0 0 408.277 4.101 50 5 HIBARN Cc1ccccc1C(=O)N[C@H](Nc1cccc([N+](=O)[O-])c1)C(Cl)(Cl)Cl ZINC000000808673 568483913 /nfs/dbraw/zinc/48/39/13/568483913.db2.gz XZMFTMORLRBSCC-HNNXBMFYSA-N 0 0 402.665 4.441 50 5 HIBARN Cc1noc([C@@H](C)Sc2nnc(-c3ccc([N+](=O)[O-])cc3)n2-c2ccccc2)n1 ZINC000024928041 568486261 /nfs/dbraw/zinc/48/62/61/568486261.db2.gz MYVDUSCXJABVEJ-GFCCVEGCSA-N 0 0 408.443 4.387 50 5 HIBARN Cc1nc(-c2ccc(NC(=O)c3cc(N4CCOCC4)ccc3[N+](=O)[O-])cc2)cs1 ZINC000024929141 568490483 /nfs/dbraw/zinc/49/04/83/568490483.db2.gz KAURTROQXTVZRE-UHFFFAOYSA-N 0 0 424.482 4.116 50 5 HIBARN Cc1c(C)c([N+](=O)[O-])ccc1-c1ccc(/C=c2/sc3nc4ccccc4n3c2=O)o1 ZINC000000832957 568501398 /nfs/dbraw/zinc/50/13/98/568501398.db2.gz GSBKAJDJRLBKKN-RGVLZGJSSA-N 0 0 417.446 4.242 50 5 HIBARN Cc1nn(S(=O)(=O)c2ccccc2[N+](=O)[O-])c(C)c1Sc1ccc(Cl)cc1 ZINC000000834968 568501580 /nfs/dbraw/zinc/50/15/80/568501580.db2.gz LNNYHQBHKSCDMA-UHFFFAOYSA-N 0 0 423.903 4.450 50 5 HIBARN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCCC[C@@H]2c2nc3ccccc3o2)c(Cl)c1 ZINC000095416379 568606908 /nfs/dbraw/zinc/60/69/08/568606908.db2.gz OTQACSQSOLLMKR-OAHLLOKOSA-N 0 0 421.862 4.305 50 5 HIBARN O=[N+]([O-])c1cc(S(=O)(=O)N2CCc3ccccc32)ccc1N1CCc2ccccc21 ZINC000020665372 568639533 /nfs/dbraw/zinc/63/95/33/568639533.db2.gz TUTMJXXCIBIKNW-UHFFFAOYSA-N 0 0 421.478 4.040 50 5 HIBARN CCOc1ccc(-n2c(=O)c3ccc[nH]c-3c2Nc2ccc(C)cc2[N+](=O)[O-])cc1 ZINC000021105457 568666971 /nfs/dbraw/zinc/66/69/71/568666971.db2.gz YSARMBKINPJLQJ-NRFANRHFSA-N 0 0 404.426 4.468 50 5 HIBARN CCN1CCN(C(=O)C[C@@H](c2c[nH]c3ccc([N+](=O)[O-])cc32)C2CCCCC2)CC1 ZINC000096276871 568715566 /nfs/dbraw/zinc/71/55/66/568715566.db2.gz AJHLTAXRGYWVFM-LJQANCHMSA-N 0 0 412.534 4.294 50 5 HIBARN CC[C@@H](C)[C@@H](NC(=O)c1ccc(OC)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000096278735 568716977 /nfs/dbraw/zinc/71/69/77/568716977.db2.gz QPIZZUCXPGNVBI-FZKQIMNGSA-N 0 0 410.430 4.171 50 5 HIBARN O=C(Cc1c(Cl)cccc1Cl)Nc1cc(-n2cccn2)c(F)cc1[N+](=O)[O-] ZINC000025049152 568739589 /nfs/dbraw/zinc/73/95/89/568739589.db2.gz APAVXRUSJHVIBF-UHFFFAOYSA-N 0 0 409.204 4.408 50 5 HIBARN COC(=O)c1c(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)sc2c1CC[C@H](C)C2 ZINC000000943826 568752908 /nfs/dbraw/zinc/75/29/08/568752908.db2.gz HBKOIIWGNYOZEO-CRALRDPISA-N 0 0 400.456 4.220 50 5 HIBARN Cc1nc(Cl)c(C(=O)NC(=O)Nc2cccc(C(F)(F)F)c2)c(C)c1[N+](=O)[O-] ZINC000000970397 568759202 /nfs/dbraw/zinc/75/92/02/568759202.db2.gz VLADYLDQSKRRJQ-UHFFFAOYSA-N 0 0 416.743 4.241 50 5 HIBARN CSc1nnc2c(n1)O[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccccc1-2 ZINC000000995312 568759796 /nfs/dbraw/zinc/75/97/96/568759796.db2.gz UUIJPMSNLWYWST-OAHLLOKOSA-N 0 0 401.835 4.325 50 5 HIBARN O=[N+]([O-])c1ccc(Oc2c(Cl)cc(S(=O)(=O)N3CCCC3)cc2Cl)cc1 ZINC000001037941 568764074 /nfs/dbraw/zinc/76/40/74/568764074.db2.gz VLOAGIBLRHLFAH-UHFFFAOYSA-N 0 0 417.270 4.478 50 5 HIBARN Cc1nc(-c2nnc(Sc3ccc(C(F)(F)F)cc3[N+](=O)[O-])n2C)cs1 ZINC000001047539 568764599 /nfs/dbraw/zinc/76/45/99/568764599.db2.gz YWXBLWVXJCYSRO-UHFFFAOYSA-N 0 0 401.395 4.325 50 5 HIBARN Cc1cc(-c2nnc(SCc3ccc(C)cc3)n2C)nn1-c1ccc([N+](=O)[O-])cc1 ZINC000001047282 568764623 /nfs/dbraw/zinc/76/46/23/568764623.db2.gz HKBJASMPPWUSQI-UHFFFAOYSA-N 0 0 420.498 4.485 50 5 HIBARN O=C(NC(=S)Nc1ccc(Br)cc1Cl)c1ccccc1[N+](=O)[O-] ZINC000001070190 568765171 /nfs/dbraw/zinc/76/51/71/568765171.db2.gz DGOYVZPOWPRYFJ-UHFFFAOYSA-N 0 0 414.668 4.138 50 5 HIBARN O=C(OCc1ccccc1)[C@H]1CCCN1c1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000001101603 568770044 /nfs/dbraw/zinc/77/00/44/568770044.db2.gz VWJOFXYLRVHASM-LJQANCHMSA-N 0 0 409.467 4.431 50 5 HIBARN CC(=O)Nc1cccc(NC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 ZINC000001149514 568772723 /nfs/dbraw/zinc/77/27/23/568772723.db2.gz FJDOFMDFSCCNQA-UHFFFAOYSA-N 0 0 413.377 4.303 50 5 HIBARN Cc1ccccc1C(=O)N/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1 ZINC000001150466 568774130 /nfs/dbraw/zinc/77/41/30/568774130.db2.gz OTZXGMZFSDXUGL-RCCKNPSSSA-N 0 0 401.422 4.313 50 5 HIBARN Cn1ccnc1Sc1ccc([N+](=O)[O-])cc1C(=O)c1ccc(Br)cc1 ZINC000001165131 568775767 /nfs/dbraw/zinc/77/57/67/568775767.db2.gz NNSJOMNBFOEIIU-UHFFFAOYSA-N 0 0 418.272 4.473 50 5 HIBARN O=C(c1ccccc1)c1ccc(NC2CCN(Cc3cccnc3)CC2)c([N+](=O)[O-])c1 ZINC000225647797 568777905 /nfs/dbraw/zinc/77/79/05/568777905.db2.gz HOVFBTQHDGMSSF-UHFFFAOYSA-N 0 0 416.481 4.297 50 5 HIBARN O=C(OCc1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000002534634 568781126 /nfs/dbraw/zinc/78/11/26/568781126.db2.gz RPOYUIJARUWMLS-UHFFFAOYSA-N 0 0 408.366 4.439 50 5 HIBARN COc1ccc(CN2C(=O)c3ccccc3/C(=C/c3cccc([N+](=O)[O-])c3)C2=O)cc1 ZINC000028497075 568785453 /nfs/dbraw/zinc/78/54/53/568785453.db2.gz CLULEWXHBQDPKM-HMAPJEAMSA-N 0 0 414.417 4.327 50 5 HIBARN Cc1c(C(=O)N2CC(=O)Nc3ccc(F)cc3[C@@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000002724784 568802940 /nfs/dbraw/zinc/80/29/40/568802940.db2.gz FHALYJLLGZRIEE-QFIPXVFZSA-N 0 0 419.412 4.226 50 5 HIBARN O=C(Nc1ccc(F)c([N+](=O)[O-])c1)N[C@]1(C(F)(F)F)Oc2ccc(Cl)cc2O1 ZINC000002725320 568803665 /nfs/dbraw/zinc/80/36/65/568803665.db2.gz WQFAZHKDMXMVIF-OAHLLOKOSA-N 0 0 421.690 4.196 50 5 HIBARN O=C(Nc1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1)c1ccccc1[N+](=O)[O-] ZINC000002748435 568806008 /nfs/dbraw/zinc/80/60/08/568806008.db2.gz YPTAGXCLYOKDHA-UHFFFAOYSA-N 0 0 406.354 4.008 50 5 HIBARN Cc1cc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)c(C)cc1I ZINC000002858744 568813247 /nfs/dbraw/zinc/81/32/47/568813247.db2.gz UNTBDECOVLPOLB-UHFFFAOYSA-N 0 0 410.211 4.377 50 5 HIBARN COc1ccc(-c2noc(CN(C(=O)c3ccc(C)c([N+](=O)[O-])c3)C(C)C)n2)cc1 ZINC000002884730 568814194 /nfs/dbraw/zinc/81/41/94/568814194.db2.gz HNGDODNODVROPQ-UHFFFAOYSA-N 0 0 410.430 4.013 50 5 HIBARN CCN(CC)c1ncnc2sc(C(=O)Nc3cc([N+](=O)[O-])ccc3OC)c(C)c21 ZINC000002925892 568817344 /nfs/dbraw/zinc/81/73/44/568817344.db2.gz QNKXAJKVQMZYLX-UHFFFAOYSA-N 0 0 415.475 4.015 50 5 HIBARN O=C(N[C@@H](OCc1ccccc1)C(Cl)(Cl)Cl)c1cccc([N+](=O)[O-])c1 ZINC000001170385 568821150 /nfs/dbraw/zinc/82/11/50/568821150.db2.gz AOXDMGYSFDIGHL-HNNXBMFYSA-N 0 0 403.649 4.238 50 5 HIBARN CCOC(=O)c1c(NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)sc2c1C[C@@H](C)CC2 ZINC000001204636 568823557 /nfs/dbraw/zinc/82/35/57/568823557.db2.gz DYFTVFJHLUMUDE-NSHDSACASA-N 0 0 418.471 4.219 50 5 HIBARN O=C(COc1ncnc2scc(-c3ccccc3)c21)Nc1ccc([N+](=O)[O-])cc1 ZINC000005851082 568825902 /nfs/dbraw/zinc/82/59/02/568825902.db2.gz FIYWXDIMAYXRBE-UHFFFAOYSA-N 0 0 406.423 4.284 50 5 HIBARN CCCCOc1ccc(C(=O)OCC(=O)Nc2cc(C)c(C)cc2[N+](=O)[O-])cc1 ZINC000005890768 568828397 /nfs/dbraw/zinc/82/83/97/568828397.db2.gz LIOGNQUIOKDKRL-UHFFFAOYSA-N 0 0 400.431 4.186 50 5 aggregator HIBARN CCSc1nnc2c(n1)O[C@@H](c1ccc([N+](=O)[O-])cc1)N(C(C)=O)c1ccccc1-2 ZINC000002977986 568831602 /nfs/dbraw/zinc/83/16/02/568831602.db2.gz RVQNLFVKRSINSD-IBGZPJMESA-N 0 0 423.454 4.003 50 5 HIBARN COc1ccc(C(=O)Nc2cccc(NC(=O)c3ccccc3C)c2)cc1[N+](=O)[O-] ZINC000001228681 568838430 /nfs/dbraw/zinc/83/84/30/568838430.db2.gz PBWLOPTUHXFCFT-UHFFFAOYSA-N 0 0 405.410 4.416 50 5 HIBARN Cc1ccc(NC(=O)c2ccc(SCC(=O)N3CCCCC3)c([N+](=O)[O-])c2)cc1 ZINC000003021046 568840371 /nfs/dbraw/zinc/84/03/71/568840371.db2.gz IMDIWPQPOTVEBC-UHFFFAOYSA-N 0 0 413.499 4.260 50 5 HIBARN O=C1[C@@H]2CCCC[C@@H]2C(=O)N1c1ccc(N2CCC[C@@H]3CCCC[C@H]32)c([N+](=O)[O-])c1 ZINC000230093349 568841019 /nfs/dbraw/zinc/84/10/19/568841019.db2.gz ZNEMNLWIYRCNIS-GDAAHCPNSA-N 0 0 411.502 4.433 50 5 HIBARN CCN(CCCNC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1ccccc1 ZINC000012521628 568842035 /nfs/dbraw/zinc/84/20/35/568842035.db2.gz IWQNAORLNVNQOB-UHFFFAOYSA-N 0 0 413.521 4.188 50 5 HIBARN CCOCc1c2ccccc2oc1C(=O)Nc1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000012525178 568842432 /nfs/dbraw/zinc/84/24/32/568842432.db2.gz ZOWHZFULWNEVAJ-UHFFFAOYSA-N 0 0 406.398 4.316 50 5 HIBARN Cc1cccc(N2C(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3C2=O)c1 ZINC000003195897 568861128 /nfs/dbraw/zinc/86/11/28/568861128.db2.gz ZYCTWLAKHGFLQB-UHFFFAOYSA-N 0 0 419.349 4.404 50 5 HIBARN CCOc1cc(C(=O)Nc2ccc(N(CC)C(C)C)cc2)c([N+](=O)[O-])cc1OC ZINC000012588613 568867630 /nfs/dbraw/zinc/86/76/30/568867630.db2.gz ZNHMVESTYBKFAL-UHFFFAOYSA-N 0 0 401.463 4.489 50 5 HIBARN Cc1nn(-c2ccccc2)c(Cl)c1CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000057940710 568868714 /nfs/dbraw/zinc/86/87/14/568868714.db2.gz IZVLLWIRCGIXIQ-UHFFFAOYSA-N 0 0 411.893 4.065 50 5 HIBARN Cn1cnc([N+](=O)[O-])c1N1CCN(Cc2ccc(-c3cccc(Cl)c3)s2)CC1 ZINC000030520151 568869022 /nfs/dbraw/zinc/86/90/22/568869022.db2.gz NVIATMQIGQSFHC-UHFFFAOYSA-N 0 0 417.922 4.032 50 5 HIBARN CC1=C(C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H](c2ccc(Cl)cc2Cl)NC(=O)N1 ZINC000012619832 568872416 /nfs/dbraw/zinc/87/24/16/568872416.db2.gz ZIRRNJYIGBQLQH-MRXNPFEDSA-N 0 0 421.240 4.168 50 5 HIBARN COc1ccc(C2=N/C(=C/c3cc4cc(C)ccc4nc3Cl)C(=O)O2)cc1[N+](=O)[O-] ZINC000003318267 568879742 /nfs/dbraw/zinc/87/97/42/568879742.db2.gz NGOQSBNSOWDFSB-CXUHLZMHSA-N 0 0 423.812 4.458 50 5 HIBARN O=[N+]([O-])c1cc(CSc2nnc3sc4ccccc4n23)c2c(c1)COCO2 ZINC000003321348 568880399 /nfs/dbraw/zinc/88/03/99/568880399.db2.gz LECRKNNCQXTFIY-UHFFFAOYSA-N 0 0 400.441 4.011 50 5 HIBARN CC(C)NS(=O)(=O)c1ccc(NCc2cc3cc(F)ccc3s2)c([N+](=O)[O-])c1 ZINC000058084791 568883551 /nfs/dbraw/zinc/88/35/51/568883551.db2.gz ASTPNLLJPNQPME-UHFFFAOYSA-N 0 0 423.491 4.247 50 5 HIBARN CCOCc1c2ccccc2oc1C(=O)OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000003438268 568903188 /nfs/dbraw/zinc/90/31/88/568903188.db2.gz OSQRTKMREUWIPG-UHFFFAOYSA-N 0 0 423.381 4.285 50 5 HIBARN Cc1c(C(=O)OCC(=O)c2ccc(Cl)c(Cl)c2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000001311250 568913899 /nfs/dbraw/zinc/91/38/99/568913899.db2.gz CISYKFYBTAUZNM-UHFFFAOYSA-N 0 0 413.169 4.158 50 5 HIBARN Cc1ccc(CN(C)C(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])o2)c(C)c1 ZINC000025774152 568914467 /nfs/dbraw/zinc/91/44/67/568914467.db2.gz HQYTZIWDHQCMQQ-UHFFFAOYSA-N 0 0 407.426 4.329 50 5 HIBARN CCOc1ccc(CN(C)C(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)cc1OC ZINC000031196807 568918520 /nfs/dbraw/zinc/91/85/20/568918520.db2.gz FFCCMELHOKAXIV-AWEZNQCLSA-N 0 0 404.488 4.141 50 5 HIBARN O=C(Nc1c2c(nn1-c1cccc(Cl)c1)CSC2)c1ccc([N+](=O)[O-])cc1 ZINC000004088738 568941237 /nfs/dbraw/zinc/94/12/37/568941237.db2.gz ZNQGTNSJEQNICO-UHFFFAOYSA-N 0 0 400.847 4.433 50 5 HIBARN O=C(NCc1cn(Cc2ccccc2)nc1-c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000012758549 568943365 /nfs/dbraw/zinc/94/33/65/568943365.db2.gz YBYPRMPLBJZFBR-UHFFFAOYSA-N 0 0 412.449 4.437 50 5 HIBARN COc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCc2sccc2[C@@H]1c1ccccc1 ZINC000012762894 568946711 /nfs/dbraw/zinc/94/67/11/568946711.db2.gz OTHDGVJWFHRKIU-QFIPXVFZSA-N 0 0 423.494 4.251 50 5 HIBARN O=C(CSc1nccn1Cc1ccc(Cl)cc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000004248812 568953957 /nfs/dbraw/zinc/95/39/57/568953957.db2.gz MGUQZGPYEKQDSC-UHFFFAOYSA-N 0 0 402.863 4.224 50 5 HIBARN C[C@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(Cc2ccccc2Oc2ccccc2)C1=O ZINC000004307099 568977857 /nfs/dbraw/zinc/97/78/57/568977857.db2.gz JXAHGYQBDUQNML-HSZRJFAPSA-N 0 0 417.421 4.354 50 5 HIBARN NC(=O)N1N=C2/C(=C/c3ccc([N+](=O)[O-])cc3)CCC[C@H]2[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000038203004 568978936 /nfs/dbraw/zinc/97/89/36/568978936.db2.gz WCYOCJHQNJEGLJ-SMAVKEGISA-N 0 0 421.413 4.178 50 5 HIBARN NC(=O)N1N=C2/C(=C/c3ccc([N+](=O)[O-])cc3)CCC[C@@H]2[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000038203003 568978974 /nfs/dbraw/zinc/97/89/74/568978974.db2.gz WCYOCJHQNJEGLJ-FFTGWUTASA-N 0 0 421.413 4.178 50 5 HIBARN CCOc1ccc(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)cc1[N+](=O)[O-] ZINC000012809688 568979927 /nfs/dbraw/zinc/97/99/27/568979927.db2.gz GYQIUOKNUSOGMI-QGZVFWFLSA-N 0 0 412.442 4.132 50 5 HIBARN C[C@H](Nc1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-])c1cccc(S(N)(=O)=O)c1 ZINC000012875596 569013560 /nfs/dbraw/zinc/01/35/60/569013560.db2.gz UKMKJZPTFWVVOP-QMMMGPOBSA-N 0 0 423.800 4.088 50 5 HIBARN COc1ccc(NC(=O)c2ccc3c(c2)C[C@H](c2ccccc2)OC3=O)c([N+](=O)[O-])c1 ZINC000015838279 569013719 /nfs/dbraw/zinc/01/37/19/569013719.db2.gz XBZUVYLEWCOAMM-OAQYLSRUSA-N 0 0 418.405 4.310 50 5 HIBARN Cc1nn(-c2nc3ccc(C)cc3s2)c2c1[C@@H](c1ccc([N+](=O)[O-])cc1)CC(=O)N2 ZINC000015868291 569017023 /nfs/dbraw/zinc/01/70/23/569017023.db2.gz ISKWYTCEUUJUGH-OAHLLOKOSA-N 0 0 419.466 4.481 50 5 HIBARN O=C(Nc1cccc(Cl)c1Cl)c1cccn(Cc2cccc([N+](=O)[O-])c2)c1=O ZINC000015882819 569019173 /nfs/dbraw/zinc/01/91/73/569019173.db2.gz UOSQSZWOZCCHNH-UHFFFAOYSA-N 0 0 418.236 4.364 50 5 HIBARN O=C(O[C@@H](C(=O)N1CCCCC1)c1ccccc1)c1cc([N+](=O)[O-])ccc1Cl ZINC000012906405 569021299 /nfs/dbraw/zinc/02/12/99/569021299.db2.gz ZRSLACZBINFAIZ-GOSISDBHSA-N 0 0 402.834 4.159 50 5 HIBARN COc1ccc([C@@H]2CCCCCN2CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)cc1 ZINC000012937344 569027861 /nfs/dbraw/zinc/02/78/61/569027861.db2.gz HLNNZFCNYIYOFG-FQEVSTJZSA-N 0 0 413.474 4.168 50 5 HIBARN Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(-c2ccc(Cl)cc2)o1 ZINC000006189092 569029802 /nfs/dbraw/zinc/02/98/02/569029802.db2.gz PGJPYEOEVVSAHH-UHFFFAOYSA-N 0 0 404.835 4.337 50 5 HIBARN COc1cc(NC(=O)COC(=O)c2c(Cl)cccc2Cl)c(C)cc1[N+](=O)[O-] ZINC000006280633 569037330 /nfs/dbraw/zinc/03/73/30/569037330.db2.gz GBVOIUOVPVZOCQ-UHFFFAOYSA-N 0 0 413.213 4.014 50 5 HIBARN CCc1nnc2sc(-c3ccc(C)c(NC(=O)c4cccc([N+](=O)[O-])c4C)c3)nn12 ZINC000016400726 569041189 /nfs/dbraw/zinc/04/11/89/569041189.db2.gz ZQULVDIOIHUYDS-UHFFFAOYSA-N 0 0 422.470 4.193 50 5 HIBARN COc1ccc(NC(=O)COc2ccc(OCc3ccccc3)cc2)c([N+](=O)[O-])c1 ZINC000006352337 569045153 /nfs/dbraw/zinc/04/51/53/569045153.db2.gz ISLLVUCASJLQMB-UHFFFAOYSA-N 0 0 408.410 4.200 50 5 HIBARN C[C@H](OC(=O)c1ccc([N+](=O)[O-])o1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000006408613 569047117 /nfs/dbraw/zinc/04/71/17/569047117.db2.gz GWOYJPHZWSWRIF-ZETCQYMHSA-N 0 0 406.700 4.044 50 5 HIBARN COc1cc(C=C2SC(=S)NC2=O)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000026642509 569052074 /nfs/dbraw/zinc/05/20/74/569052074.db2.gz AHVXJVBZXZTIJP-DHDCSXOGSA-N 0 0 416.436 4.152 50 5 HIBARN O=C(CSc1nc(=O)c2c3c(sc2[nH]1)CCCC3)c1cccc([N+](=O)[O-])c1 ZINC000001972994 569060041 /nfs/dbraw/zinc/06/00/41/569060041.db2.gz IRADQZPUAPTAJE-UHFFFAOYSA-N 0 0 401.469 4.159 50 5 HIBARN O=C(N[C@@H](Cc1ccccc1)c1nc(-c2cccc([N+](=O)[O-])c2)no1)c1cccs1 ZINC000035845030 569062576 /nfs/dbraw/zinc/06/25/76/569062576.db2.gz YCVGFHXMJYXRLO-KRWDZBQOSA-N 0 0 420.450 4.420 50 5 HIBARN O=C(Nc1nnc(SCc2c(F)cccc2F)s1)c1cccc([N+](=O)[O-])c1 ZINC000035913010 569066018 /nfs/dbraw/zinc/06/60/18/569066018.db2.gz BTGPGBPXVQYVDU-UHFFFAOYSA-N 0 0 408.411 4.269 50 5 HIBARN Cc1cc(C(=O)N2CCC(c3nc(-c4ccc(F)cc4)no3)CC2)ccc1[N+](=O)[O-] ZINC000064818293 569102040 /nfs/dbraw/zinc/10/20/40/569102040.db2.gz RAAGCNLOYRBLKN-UHFFFAOYSA-N 0 0 410.405 4.112 50 5 HIBARN Cc1ccc(NC(=O)[C@H](NCc2ccc3c(c2)OCO3)c2ccccc2)c([N+](=O)[O-])c1 ZINC000006840972 569152064 /nfs/dbraw/zinc/15/20/64/569152064.db2.gz GBBFSVYJRQADCY-JOCHJYFZSA-N 0 0 419.437 4.102 50 5 HIBARN COc1cc(C=C2SC(=S)NC2=O)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 ZINC000006906842 569178504 /nfs/dbraw/zinc/17/85/04/569178504.db2.gz HUZKOXWCXPIQQX-OVCLIPMQSA-N 0 0 416.436 4.152 50 5 HIBARN CCc1ccc(Cl)c(CC)c1NC(=O)COC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000013159927 569211688 /nfs/dbraw/zinc/21/16/88/569211688.db2.gz HQIHHZHPKXGSNH-UHFFFAOYSA-N 0 0 404.850 4.477 50 5 HIBARN CC(C)c1nc2n(n1)C[C@H](Nc1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-])CC2 ZINC000170624881 569249613 /nfs/dbraw/zinc/24/96/13/569249613.db2.gz PQTSMYHHHVKOLK-SECBINFHSA-N 0 0 403.792 4.409 50 5 HIBARN O=C(Nc1ccccc1NC(=O)c1ccccc1[N+](=O)[O-])c1ccccc1[N+](=O)[O-] ZINC000005583804 569255803 /nfs/dbraw/zinc/25/58/03/569255803.db2.gz GRIXZSNWSNSDPO-UHFFFAOYSA-N 0 0 406.354 4.008 50 5 HIBARN O=[N+]([O-])c1ccc([C@H](O)CSc2nnc(-c3cccc(Br)c3)o2)cc1 ZINC000016740129 569261938 /nfs/dbraw/zinc/26/19/38/569261938.db2.gz OUUWCJIYMHJSJW-CQSZACIVSA-N 0 0 422.260 4.233 50 5 HIBARN Cc1nn(Cc2c(C)onc2C(=O)Nc2cccc(C(F)(F)F)c2)c(C)c1[N+](=O)[O-] ZINC000017093488 569273756 /nfs/dbraw/zinc/27/37/56/569273756.db2.gz SQVPKKCUSFQSGA-UHFFFAOYSA-N 0 0 423.351 4.024 50 5 HIBARN CCCCOC(=O)c1ccccc1Nc1nc2nc3ccccc3c(=O)n2cc1C ZINC000002125624 569286201 /nfs/dbraw/zinc/28/62/01/569286201.db2.gz VCYKFBRLMKCRDU-UHFFFAOYSA-N 0 0 402.454 4.252 50 5 biogenic HIBARN CC(C)N(Cc1nc(-c2ccccc2)no1)C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000007721341 569302587 /nfs/dbraw/zinc/30/25/87/569302587.db2.gz PJPNWHNTMFLWCL-UHFFFAOYSA-N 0 0 400.822 4.349 50 5 HIBARN COc1cc2c(c(OC)c1)C(C)(C)[C@]1(C=Cc3cc(OC)cc([N+](=O)[O-])c3O1)N2C ZINC000002272151 569327046 /nfs/dbraw/zinc/32/70/46/569327046.db2.gz QPCUDGOECQTVES-JOCHJYFZSA-N 0 0 412.442 4.150 50 5 HIBARN COc1ccc(-c2c3cnn(C)c3nc3c4ccc(O)cc4oc32)cc1COC(C)=O ZINC000253403028 569365658 /nfs/dbraw/zinc/36/56/58/569365658.db2.gz GWIMTGWVNNHGIU-UHFFFAOYSA-N 0 0 417.421 4.312 50 5 HIBARN CCCC[C@H](CC)C(=O)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000002313479 569373283 /nfs/dbraw/zinc/37/32/83/569373283.db2.gz XOXOAWQLCZZHHB-LBPRGKRZSA-N 0 0 411.505 4.039 50 5 HIBARN Cn1c2ccccc2c(=O)c2c(=O)n(-c3ccc(F)cc3)c(-c3cccs3)nc21 ZINC000002334358 569375906 /nfs/dbraw/zinc/37/59/06/569375906.db2.gz GVKXSRYKRGSDJO-UHFFFAOYSA-N 0 0 403.438 4.105 50 5 HIBARN Cc1cccc(-c2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)n2C)c1 ZINC000009260438 569392153 /nfs/dbraw/zinc/39/21/53/569392153.db2.gz HMFRTJQYHYYHDM-UHFFFAOYSA-N 0 0 417.878 4.083 50 5 HIBARN O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc(-c2cc3ccccc3oc2=O)cc1 ZINC000010035077 569395087 /nfs/dbraw/zinc/39/50/87/569395087.db2.gz WDCNANILUFXUDH-UHFFFAOYSA-N 0 0 416.389 4.386 50 5 HIBARN C[C@H](NC(=O)c1cc([N+](=O)[O-])cc2c1-c1ccc([N+](=O)[O-])cc1C2=O)c1ccccc1 ZINC000012368269 569400365 /nfs/dbraw/zinc/40/03/65/569400365.db2.gz KGVLNBLDBTUMSF-LBPRGKRZSA-N 0 0 417.377 4.205 50 5 HIBARN O=C(c1ccccc1)N1C[C@H](COc2ccccc2)O[C@H](c2cccc([N+](=O)[O-])c2)O1 ZINC000012375887 569400522 /nfs/dbraw/zinc/40/05/22/569400522.db2.gz WRNXVIGVCCGWAI-GGAORHGYSA-N 0 0 420.421 4.145 50 5 HIBARN O=C(c1ccccc1)N1C[C@H](COc2ccccc2)O[C@H](c2ccc([N+](=O)[O-])cc2)O1 ZINC000012375883 569400528 /nfs/dbraw/zinc/40/05/28/569400528.db2.gz AVHIRECKXUEYLH-GGAORHGYSA-N 0 0 420.421 4.145 50 5 HIBARN COc1cc(C(=O)N2CC=C(c3c[nH]c4ccccc43)CC2)c([N+](=O)[O-])cc1OC ZINC000012798846 569403661 /nfs/dbraw/zinc/40/36/61/569403661.db2.gz PGSMKMGWIWNLGE-UHFFFAOYSA-N 0 0 407.426 4.023 50 5 HIBARN O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccc(Cn2cc(C(F)(F)F)ccc2=O)cc1 ZINC000012957870 569405397 /nfs/dbraw/zinc/40/53/97/569405397.db2.gz DTMRGQJWZCEHCE-UHFFFAOYSA-N 0 0 417.343 4.076 50 5 HIBARN O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(Cc2cccc(Oc3ccccc3)c2)CC1 ZINC000019823709 569430709 /nfs/dbraw/zinc/43/07/09/569430709.db2.gz RIBPUFWURWXTQQ-UHFFFAOYSA-N 0 0 417.465 4.345 50 5 HIBARN CC1=C(C(=O)Nc2cccc(Cl)c2)[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)NC(=O)N1 ZINC000008843890 571124597 /nfs/dbraw/zinc/12/45/97/571124597.db2.gz PYHXEVISWCYZLC-INIZCTEOSA-N 0 0 421.240 4.168 50 5 HIBARN Cc1cc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)n2ncc(-c3ccccc3)c2n1 ZINC000008843985 571124673 /nfs/dbraw/zinc/12/46/73/571124673.db2.gz OTJMJBIHKMOSRJ-UHFFFAOYSA-N 0 0 419.466 4.344 50 5 HIBARN O=C(NC1CCN(C(=O)c2cc3ccccc3c3cccnc23)CC1)c1ccccc1 ZINC000040105253 571165952 /nfs/dbraw/zinc/16/59/52/571165952.db2.gz VQPFHVAYGOYRER-UHFFFAOYSA-N 0 0 409.489 4.423 50 5 HIBARN C[C@H](NC(=O)CCn1ncc2ccc([N+](=O)[O-])cc21)c1cccc(C(F)(F)F)c1 ZINC000040114868 571172567 /nfs/dbraw/zinc/17/25/67/571172567.db2.gz TYBVGYFJFCYTOQ-LBPRGKRZSA-N 0 0 406.364 4.231 50 5 HIBARN CCN(CC(=O)Nc1cc(Cl)ccc1C)C(=O)c1cc(F)c(C)c([N+](=O)[O-])c1 ZINC000040140676 571191975 /nfs/dbraw/zinc/19/19/75/571191975.db2.gz VDDCEYSHDYJOEL-UHFFFAOYSA-N 0 0 407.829 4.105 50 5 HIBARN CC1=C(C(=O)Nc2cccc([N+](=O)[O-])c2)[C@@H](c2ccc(Cl)cc2Cl)NC(=O)N1 ZINC000009373108 571252531 /nfs/dbraw/zinc/25/25/31/571252531.db2.gz TWBOTCZKHDIMFM-MRXNPFEDSA-N 0 0 421.240 4.168 50 5 HIBARN COc1ccc(OC)c(Nc2nc(Nc3ccc(Cl)cc3)nc(N)c2[N+](=O)[O-])c1 ZINC000009397394 571254710 /nfs/dbraw/zinc/25/47/10/571254710.db2.gz HGEUDSDSZIUKIR-UHFFFAOYSA-N 0 0 416.825 4.125 50 5 HIBARN Cc1ccc(NC(=O)[C@H](Sc2nnc3ccccn32)c2ccccc2)c([N+](=O)[O-])c1 ZINC000009462553 571260690 /nfs/dbraw/zinc/26/06/90/571260690.db2.gz QZUWRFGQOHNJDM-LJQANCHMSA-N 0 0 419.466 4.418 50 5 HIBARN COc1cccc2c(=O)c3c(O)cc(OCC(=O)Nc4cc(C)ccc4C)cc3oc12 ZINC000009484974 571262247 /nfs/dbraw/zinc/26/22/47/571262247.db2.gz PPOLBJPBVFXHEK-UHFFFAOYSA-N 0 0 419.433 4.295 50 5 HIBARN CSc1ccc(CN(C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)cc1 ZINC000009491316 571262789 /nfs/dbraw/zinc/26/27/89/571262789.db2.gz XNRLTLPXNJNVEK-UHFFFAOYSA-N 0 0 424.320 4.150 50 5 HIBARN CCOC(=O)c1c(C)[nH]c(C(=O)CSc2nc3ccc([N+](=O)[O-])cc3s2)c1C ZINC000009612676 571273786 /nfs/dbraw/zinc/27/37/86/571273786.db2.gz WUGWIGASTMCZCZ-UHFFFAOYSA-N 0 0 419.484 4.301 50 5 HIBARN Cc1csc(SCc2cc(=O)c(OC(=O)c3ccc(C)c([N+](=O)[O-])c3)co2)n1 ZINC000009739663 571283263 /nfs/dbraw/zinc/28/32/63/571283263.db2.gz INXUFZNZGSJGGT-UHFFFAOYSA-N 0 0 418.452 4.133 50 5 HIBARN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CCC(c2c[nH]c3ccccc32)CC1 ZINC000010139956 571295416 /nfs/dbraw/zinc/29/54/16/571295416.db2.gz KINDXBAWWFNJKS-HNNXBMFYSA-N 0 0 422.485 4.291 50 5 HIBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cccn(Cc2c(F)cccc2Cl)c1=O ZINC000010187768 571296104 /nfs/dbraw/zinc/29/61/04/571296104.db2.gz PBWLLUZXWMMYEX-UHFFFAOYSA-N 0 0 415.808 4.158 50 5 HIBARN O=C(Nc1ccc([N+](=O)[O-])cc1)c1cccn(Cc2ccc(Cl)cc2Cl)c1=O ZINC000010187829 571296281 /nfs/dbraw/zinc/29/62/81/571296281.db2.gz JFHKBBLQOFOXCN-UHFFFAOYSA-N 0 0 418.236 4.364 50 5 HIBARN C[C@@H](OC(=O)/C=C/c1ccccc1[N+](=O)[O-])C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000003247145 845010848 /nfs/dbraw/zinc/01/08/48/845010848.db2.gz FCOBSIRLGUEVOX-BZYZDCJZSA-N 0 0 408.332 4.197 50 5 HIBARN C[C@H](OC(=O)/C=C/c1cccc(C(F)(F)F)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000003237419 845011514 /nfs/dbraw/zinc/01/15/14/845011514.db2.gz IGLNQLTUYMGKDB-BCPZQOPPSA-N 0 0 408.332 4.197 50 5 HIBARN Cc1c(NC(=O)COC(=O)/C=C/c2ccc(C(F)(F)F)cc2)cccc1[N+](=O)[O-] ZINC000003448397 845021290 /nfs/dbraw/zinc/02/12/90/845021290.db2.gz BAEROGYHORTSES-JXMROGBWSA-N 0 0 408.332 4.117 50 5 HIBARN O=C(c1ccccc1)N1CCN(c2ccc([N+](=O)[O-])c(NCc3ccccc3)c2)CC1 ZINC000004409206 132276494 /nfs/dbraw/zinc/27/64/94/132276494.db2.gz RKIDKRAMQYGYFM-UHFFFAOYSA-N 0 0 416.481 4.169 50 5 HIBARN O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1ccccc1N1CCOCC1 ZINC000004741178 132286686 /nfs/dbraw/zinc/28/66/86/132286686.db2.gz JIURODLHNACNFT-ZRDIBKRKSA-N 0 0 419.437 4.343 50 5 HIBARN Cc1cccc(Nc2nc(N3CCC(Cc4ccccc4)CC3)nc(N)c2[N+](=O)[O-])c1 ZINC000005091048 132300497 /nfs/dbraw/zinc/30/04/97/132300497.db2.gz JOIIWFXRYKIHTH-UHFFFAOYSA-N 0 0 418.501 4.478 50 5 HIBARN O=C(c1cc2ccccc2o1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000009668290 132342384 /nfs/dbraw/zinc/34/23/84/132342384.db2.gz RXWZQMCFFLDIAJ-UHFFFAOYSA-N 0 0 419.359 4.322 50 5 HIBARN COc1cc(Cl)c(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1OC ZINC000010590040 132346248 /nfs/dbraw/zinc/34/62/48/132346248.db2.gz AUZUYKDIWJEGGH-UHFFFAOYSA-N 0 0 419.865 4.121 50 5 HIBARN CN(C(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)c1ccccc1 ZINC000012514223 132361238 /nfs/dbraw/zinc/36/12/38/132361238.db2.gz CXBYTSBNWUUBOW-UHFFFAOYSA-N 0 0 407.392 4.493 50 5 HIBARN COc1ccc(NC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cc1 ZINC000012554464 132363417 /nfs/dbraw/zinc/36/34/17/132363417.db2.gz RVLJASXKBDOSFD-UHFFFAOYSA-N 0 0 423.391 4.477 50 5 HIBARN CC(C)OC(=O)C[C@@H](NC(=O)N1CCCc2ccccc21)c1ccccc1[N+](=O)[O-] ZINC000012568252 132364456 /nfs/dbraw/zinc/36/44/56/132364456.db2.gz QEALNXIJMOLQFB-GOSISDBHSA-N 0 0 411.458 4.140 50 5 HIBARN C[C@H](c1nnc(-c2cccs2)o1)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000012632528 132365436 /nfs/dbraw/zinc/36/54/36/132365436.db2.gz TYBAIKVMHRJXOI-GFCCVEGCSA-N 0 0 419.894 4.243 50 5 HIBARN C[C@H](OC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C ZINC000245284866 525891104 /nfs/dbraw/zinc/89/11/04/525891104.db2.gz ULPZTYOBUTUAEV-ZXFNITATSA-N 0 0 414.458 4.341 50 5 HIBARN O=C(Oc1ccc2c(c1)CCC(=O)N2)c1ccc(N2CCCCCC2)c([N+](=O)[O-])c1 ZINC000032907953 526441475 /nfs/dbraw/zinc/44/14/75/526441475.db2.gz NATTUBCVFSSRQC-UHFFFAOYSA-N 0 0 409.442 4.079 50 5 HIBARN O=C(c1ccc(-c2ccccc2)cc1)N1CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC000019789358 526651755 /nfs/dbraw/zinc/65/17/55/526651755.db2.gz OQJVJQBGYOARAW-UHFFFAOYSA-N 0 0 401.466 4.220 50 5 HIBARN O=[N+]([O-])c1cccnc1N1CCC(Oc2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000020366519 527406098 /nfs/dbraw/zinc/40/60/98/527406098.db2.gz ZIRNKELOHZHRSI-UHFFFAOYSA-N 0 0 402.760 4.105 50 5 HIBARN COc1ccc(-c2nc3ccccn3c2NC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000034912745 557486985 /nfs/dbraw/zinc/48/69/85/557486985.db2.gz FTCNKKPBIFVDFL-UHFFFAOYSA-N 0 0 402.410 4.479 50 5 HIBARN CCCOc1cc(NC(=O)[C@@H]2COc3ccccc3C2)c([N+](=O)[O-])cc1OCCC ZINC000010755145 558438154 /nfs/dbraw/zinc/43/81/54/558438154.db2.gz GOPOVXLSWIOFGF-INIZCTEOSA-N 0 0 414.458 4.362 50 5 HIBARN O=C(CSc1ccc(-c2cccc([N+](=O)[O-])c2)nn1)Nc1ccc(F)c(F)c1 ZINC000004355874 558443366 /nfs/dbraw/zinc/44/33/66/558443366.db2.gz SKMRHTOHNCXMIG-UHFFFAOYSA-N 0 0 402.382 4.061 50 5 HIBARN COc1cc(OC)cc(C(=O)Nc2ccc([N+](=O)[O-])cc2C(=O)c2ccccc2)c1 ZINC000004387756 558483915 /nfs/dbraw/zinc/48/39/15/558483915.db2.gz JFUSHZCJCCJIBT-UHFFFAOYSA-N 0 0 406.394 4.095 50 5 HIBARN O=C(NCCCNc1ccc(Cl)cc1[N+](=O)[O-])c1cc(F)c(F)cc1Cl ZINC000004413850 558524085 /nfs/dbraw/zinc/52/40/85/558524085.db2.gz YAYHJVJADTZWKU-UHFFFAOYSA-N 0 0 404.200 4.412 50 5 HIBARN Cc1nc(C(=O)N(C)Cc2cc([N+](=O)[O-])ccc2Cl)nn1-c1ccc(Cl)cc1 ZINC000010903193 558556684 /nfs/dbraw/zinc/55/66/84/558556684.db2.gz UCIBZHJHAZEIHN-UHFFFAOYSA-N 0 0 420.256 4.063 50 5 HIBARN O=C1OC(c2ccccc2Br)=NC1=CNc1cc([N+](=O)[O-])ccc1Cl ZINC000004507708 558621896 /nfs/dbraw/zinc/62/18/96/558621896.db2.gz MCXXVCQHXWQNBO-ZSOIEALJSA-N 0 0 422.622 4.268 50 5 HIBARN CC[C@@H]1CCc2c(sc3c2C(=O)N[C@H](c2cc4c(cc2[N+](=O)[O-])OCO4)N3)C1 ZINC000004545470 558664727 /nfs/dbraw/zinc/66/47/27/558664727.db2.gz XVOCMLCDRHCDMS-XLFHBGCDSA-N 0 0 401.444 4.329 50 5 HIBARN CC(C)OC(=O)c1c(NC(=O)COc2ccccc2[N+](=O)[O-])sc2c1CCCC2 ZINC000004577182 558752083 /nfs/dbraw/zinc/75/20/83/558752083.db2.gz KGUALKPOCOCVOW-UHFFFAOYSA-N 0 0 418.471 4.118 50 5 HIBARN Cc1ccccc1-n1nnnc1[C@H](c1ccccc1)N(C)Cc1ccc([N+](=O)[O-])cc1 ZINC000022077894 558779045 /nfs/dbraw/zinc/77/90/45/558779045.db2.gz DOSNUNYVPBCSLT-QFIPXVFZSA-N 0 0 414.469 4.100 50 5 HIBARN COc1ccc(NC(=O)c2ccco2)cc1NC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000013608822 558847077 /nfs/dbraw/zinc/84/70/77/558847077.db2.gz QATAZJWMBWVALH-UHFFFAOYSA-N 0 0 415.789 4.354 50 5 HIBARN Cc1c(Cl)c([N+](=O)[O-])nn1CCCC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000004657253 558868438 /nfs/dbraw/zinc/86/84/38/558868438.db2.gz KMJFMYYSKYTNFP-UHFFFAOYSA-N 0 0 406.748 4.071 50 5 HIBARN O=[N+]([O-])c1ccc2[nH]c(CN3CCO[C@@H](c4cccc(C(F)(F)F)c4)C3)nc2c1 ZINC000097164355 558998454 /nfs/dbraw/zinc/99/84/54/558998454.db2.gz YZCBXKVULKTCKB-QGZVFWFLSA-N 0 0 406.364 4.063 50 5 HIBARN O=C(c1ccccc1[N+](=O)[O-])n1nc(-c2ccccc2)nc1NCc1cccs1 ZINC000004808354 559067636 /nfs/dbraw/zinc/06/76/36/559067636.db2.gz BTAUYQJBOHSGDN-UHFFFAOYSA-N 0 0 405.439 4.215 50 5 HIBARN Cc1c(C(=O)N2CCN([C@H](C)c3nc4ccccc4s3)CC2)cccc1[N+](=O)[O-] ZINC000023919065 559185555 /nfs/dbraw/zinc/18/55/55/559185555.db2.gz QHSUDLCLGBYQOO-OAHLLOKOSA-N 0 0 410.499 4.032 50 5 HIBARN O=C(N[C@@H](Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1)OCc1ccccc1 ZINC000004899462 559198071 /nfs/dbraw/zinc/19/80/71/559198071.db2.gz JZPHGMKKKDRFSU-NRFANRHFSA-N 0 0 419.437 4.071 50 5 HIBARN CC1=N/C(=C\c2ccc([N+](=O)[O-])cc2)C(=O)N1c1ccc(Br)c(C)c1 ZINC000005125903 559248293 /nfs/dbraw/zinc/24/82/93/559248293.db2.gz PGSANBVWCYJPSJ-YVLHZVERSA-N 0 0 400.232 4.472 50 5 HIBARN O=C(NCCc1csc(-c2ccc(F)cc2)n1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000005137376 559250203 /nfs/dbraw/zinc/25/02/03/559250203.db2.gz WAFNCJRERZUISD-UHFFFAOYSA-N 0 0 405.838 4.483 50 5 HIBARN COc1ccc(-c2nnc3sc(-c4ccc([N+](=O)[O-])cc4Cl)nn32)cc1OC ZINC000221526532 559280960 /nfs/dbraw/zinc/28/09/60/559280960.db2.gz GXOCBSZQRZJJQD-UHFFFAOYSA-N 0 0 417.834 4.099 50 5 HIBARN Cc1cccc(C(=O)N/C(=C\c2ccc([N+](=O)[O-])cc2)C(=O)NC2CCCCC2)c1 ZINC000005196372 559291794 /nfs/dbraw/zinc/29/17/94/559291794.db2.gz BEZBNOXAUPRCLH-QNGOZBTKSA-N 0 0 407.470 4.123 50 5 HIBARN C[C@H](NC(=O)c1ccccc1NC(=O)COc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000005216480 560540247 /nfs/dbraw/zinc/54/02/47/560540247.db2.gz GQMJFISSCXTLRJ-INIZCTEOSA-N 0 0 419.437 4.103 50 5 HIBARN Cc1ccc(C(=O)Nc2ccc(-c3ccc(N4CCCC4)nn3)cc2)cc1[N+](=O)[O-] ZINC000005259284 560551424 /nfs/dbraw/zinc/55/14/24/560551424.db2.gz UARLZECSDCZOFD-UHFFFAOYSA-N 0 0 403.442 4.213 50 5 HIBARN c1nc2c3c4c(sc3n3c(SCCCc5ccccc5)nnc3n2n1)CCC4 ZINC000005500129 560598412 /nfs/dbraw/zinc/59/84/12/560598412.db2.gz OAMYCXGQEHMPKG-UHFFFAOYSA-N 0 0 406.540 4.200 50 5 HIBARN CCCn1nc2ccccc2c1P(=Nc1cccc([N+](=O)[O-])c1)(N(C)C)N(C)C ZINC000005578101 560624980 /nfs/dbraw/zinc/62/49/80/560624980.db2.gz KYOKFLQQFVMHBV-UHFFFAOYSA-N 0 0 414.450 4.466 50 5 HIBARN Cn1c2ccccc2nc1-c1c(N)n(-c2ccccc2)c(=O)c2cc([N+](=O)[O-])ccc21 ZINC000101302759 560791162 /nfs/dbraw/zinc/79/11/62/560791162.db2.gz JEZTVHAVFAALRF-UHFFFAOYSA-N 0 0 411.421 4.035 50 5 HIBARN O=C1[C@@H]2CCCC[C@@H]2C(=O)N1c1ccc(N2CCC[C@H]3CCCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000102781507 560827391 /nfs/dbraw/zinc/82/73/91/560827391.db2.gz ZNEMNLWIYRCNIS-YSHGAJCASA-N 0 0 411.502 4.433 50 5 HIBARN CCOc1ccc(Nc2ccc(N3C(=O)[C@H]4CC=CC[C@@H]4C3=O)cc2[N+](=O)[O-])cc1 ZINC000102784724 560827538 /nfs/dbraw/zinc/82/75/38/560827538.db2.gz SVFGLKGABBYWDD-ROUUACIJSA-N 0 0 407.426 4.193 50 5 HIBARN C/C(=C(\NC(=O)c1ccccc1)C(=O)NCc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000108851718 568419773 /nfs/dbraw/zinc/41/97/73/568419773.db2.gz DSDWMTFJYKXMAQ-OQKWZONESA-N 0 0 415.449 4.072 50 5 HIBARN COc1ccc(-c2cc(C(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])no2)cc1OC ZINC000046085565 568428019 /nfs/dbraw/zinc/42/80/19/568428019.db2.gz XJEJKYJLCYAFPN-UHFFFAOYSA-N 0 0 403.778 4.173 50 5 HIBARN Cc1ccc(C(=O)COC(=O)c2ccccc2C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000000673740 568460974 /nfs/dbraw/zinc/46/09/74/568460974.db2.gz INTSVYYIFYZNKY-UHFFFAOYSA-N 0 0 403.390 4.174 50 5 HIBARN CC(=O)Oc1ccc2nc(-c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)oc(=O)c2c1 ZINC000000828804 568500251 /nfs/dbraw/zinc/50/02/51/568500251.db2.gz RXRBOXYRNUBOOQ-UHFFFAOYSA-N 0 0 418.361 4.481 50 5 HIBARN COc1ccc(CN2COc3ccc4c5ccccc5c(=O)oc4c3C2)c(OC)c1 ZINC000020610057 568636752 /nfs/dbraw/zinc/63/67/52/568636752.db2.gz FGGSYLICIMSFMA-UHFFFAOYSA-N 0 0 403.434 4.316 50 5 HIBARN COc1ccc(Cn2c(=O)c3ccc[nH]c-3c2Nc2ccc([N+](=O)[O-])cc2C)cc1 ZINC000021106965 568667157 /nfs/dbraw/zinc/66/71/57/568667157.db2.gz ZLCWOOVBMUIIRI-NRFANRHFSA-N 0 0 404.426 4.074 50 5 HIBARN COc1ccc(C(=O)COc2ccc([N+](=O)[O-])cc2Cl)cc1Br ZINC000021365277 568689508 /nfs/dbraw/zinc/68/95/08/568689508.db2.gz OFPFSFXXWLRVPS-UHFFFAOYSA-N 0 0 400.612 4.281 50 5 HIBARN CC[C@H](C)[C@@H](NC(=O)CCc1ccccc1)c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000096275770 568714557 /nfs/dbraw/zinc/71/45/57/568714557.db2.gz RZQNKVJESITBKY-MGPUTAFESA-N 0 0 408.458 4.481 50 5 HIBARN CC(C)(C)CC(=O)N[C@H](Cc1ccccc1)c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000096277821 568716339 /nfs/dbraw/zinc/71/63/39/568716339.db2.gz ZQJCAVSFULCAQS-GOSISDBHSA-N 0 0 408.458 4.481 50 5 HIBARN Cc1cccc(-c2noc(CCN(CC(C)C)C(=O)c3cccc([N+](=O)[O-])c3)n2)c1 ZINC000096293862 568722046 /nfs/dbraw/zinc/72/20/46/568722046.db2.gz GDTWDKGGTIRZOV-UHFFFAOYSA-N 0 0 408.458 4.294 50 5 HIBARN C[C@H](OC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1)C(=O)c1ccccc1 ZINC000000878799 568726315 /nfs/dbraw/zinc/72/63/15/568726315.db2.gz BDBNIAFOHGLLAE-HNNXBMFYSA-N 0 0 418.405 4.275 50 5 HIBARN COc1cc(C(=O)N(Cc2ccc(C)o2)Cc2ccc(C)o2)c([N+](=O)[O-])cc1OC ZINC000015084429 568749897 /nfs/dbraw/zinc/74/98/97/568749897.db2.gz XJWVWQULYALKKH-UHFFFAOYSA-N 0 0 414.414 4.257 50 5 HIBARN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(N2C(=O)c3ccccc3C2=O)cc1 ZINC000000951169 568756784 /nfs/dbraw/zinc/75/67/84/568756784.db2.gz SLAHGTUKNVSLIM-UHFFFAOYSA-N 0 0 421.796 4.301 50 5 HIBARN O=C(C[C@H]1Sc2ccc(C(F)(F)F)cc2NC1=O)Nc1cccc([N+](=O)[O-])c1 ZINC000000950772 568756796 /nfs/dbraw/zinc/75/67/96/568756796.db2.gz MCKCEQIYPOZIPS-CQSZACIVSA-N 0 0 411.361 4.055 50 5 HIBARN CCOC(=O)c1ccc2ncc(C(=O)OCC)c(Nc3cccc([N+](=O)[O-])c3)c2c1 ZINC000000952882 568756936 /nfs/dbraw/zinc/75/69/36/568756936.db2.gz QQJAUYSIPMAUKH-UHFFFAOYSA-N 0 0 409.398 4.240 50 5 HIBARN O=C(CSc1nnc(-c2ccco2)n1Cc1ccco1)c1ccc([N+](=O)[O-])cc1 ZINC000001057974 568765016 /nfs/dbraw/zinc/76/50/16/568765016.db2.gz DIDHBOHMOWHDMG-UHFFFAOYSA-N 0 0 410.411 4.063 50 5 HIBARN COc1cc(NC(=O)c2ccccc2[N+](=O)[O-])c(OC)cc1NC(=O)c1ccccc1 ZINC000001149979 568772756 /nfs/dbraw/zinc/77/27/56/568772756.db2.gz GZRCDCGWUYYBTJ-UHFFFAOYSA-N 0 0 421.409 4.117 50 5 HIBARN CCc1ccccc1NC(=O)c1ccccc1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000001136586 568773526 /nfs/dbraw/zinc/77/35/26/568773526.db2.gz VYFHSPAKSCATEK-UHFFFAOYSA-N 0 0 410.451 4.242 50 5 HIBARN O=C(NC(c1ccccc1)c1ccccc1)c1cc2cc([N+](=O)[O-])ccc2oc1=O ZINC000001152490 568774033 /nfs/dbraw/zinc/77/40/33/568774033.db2.gz VHNUASHLJPGIMX-UHFFFAOYSA-N 0 0 400.390 4.221 50 5 HIBARN O=C(Nc1cc(C(F)(F)F)ccc1OC[C@@H]1CCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000001154646 568774243 /nfs/dbraw/zinc/77/42/43/568774243.db2.gz PDPANQSBJIEZHQ-HNNXBMFYSA-N 0 0 410.348 4.424 50 5 HIBARN O=C(COC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1)c1ccc(F)cc1 ZINC000001155425 568774269 /nfs/dbraw/zinc/77/42/69/568774269.db2.gz NPZORQDCVFDDGY-UHFFFAOYSA-N 0 0 422.368 4.026 50 5 HIBARN Cc1cccc(NC(=O)C2=C(C)NC(=O)N[C@H]2c2ccc(Cl)c([N+](=O)[O-])c2)c1C ZINC000001157534 568774439 /nfs/dbraw/zinc/77/44/39/568774439.db2.gz SHWRECAIHPNGLK-SFHVURJKSA-N 0 0 414.849 4.132 50 5 HIBARN COc1ccc(C2(CNC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)CCCC2)cc1OC ZINC000001162596 568775483 /nfs/dbraw/zinc/77/54/83/568775483.db2.gz IHDHIJZTRNXHEI-KPKJPENVSA-N 0 0 410.470 4.253 50 5 HIBARN O=C(CSc1nnc2c(n1)-c1cccc3cccc-2c13)Nc1cccc([N+](=O)[O-])c1 ZINC000002495738 568776408 /nfs/dbraw/zinc/77/64/08/568776408.db2.gz BLAJVQDFWBCCII-UHFFFAOYSA-N 0 0 415.434 4.311 50 5 HIBARN O=c1cc(C(F)(F)F)c2ccc(OCc3cc([N+](=O)[O-])cc4c3OCOC4)cc2o1 ZINC000002623183 568788309 /nfs/dbraw/zinc/78/83/09/568788309.db2.gz FOGTXXMEJHPPIP-UHFFFAOYSA-N 0 0 423.299 4.166 50 5 HIBARN Cc1cccc(OCC(=O)Nc2cc(OCC(F)(F)C(F)F)cc([N+](=O)[O-])c2)c1 ZINC000002761209 568807089 /nfs/dbraw/zinc/80/70/89/568807089.db2.gz LDDKOIKHNZDOIO-UHFFFAOYSA-N 0 0 416.327 4.200 50 5 HIBARN Cc1ccc(CSc2nnc(NC(=O)COc3ccc([N+](=O)[O-])cc3)s2)cc1 ZINC000002835139 568812423 /nfs/dbraw/zinc/81/24/23/568812423.db2.gz BDKUVDZGIKHMSP-UHFFFAOYSA-N 0 0 416.484 4.065 50 5 HIBARN O=C(NC(=S)Nc1ccc(F)c([N+](=O)[O-])c1)C(c1ccccc1)c1ccccc1 ZINC000001181613 568821629 /nfs/dbraw/zinc/82/16/29/568821629.db2.gz OVGGKTHNXLXETA-UHFFFAOYSA-N 0 0 409.442 4.379 50 5 HIBARN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)c1ccc(C(C)(C)C)cc1 ZINC000005858842 568826063 /nfs/dbraw/zinc/82/60/63/568826063.db2.gz VGSUTSODPDUTDP-ZDUSSCGKSA-N 0 0 400.431 4.085 50 5 HIBARN COc1ccc(Cn2c(SC)nc3c4cc([N+](=O)[O-])ccc4sc3c2=O)cc1 ZINC000002960354 568830356 /nfs/dbraw/zinc/83/03/56/568830356.db2.gz BEGZSUFPIDICLG-UHFFFAOYSA-N 0 0 413.480 4.298 50 5 HIBARN O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1cccc2c1C(=O)N(c1ccccc1)C2=O ZINC000002978843 568831573 /nfs/dbraw/zinc/83/15/73/568831573.db2.gz YQVWVXJTFNQDFL-OUKQBFOZSA-N 0 0 413.389 4.047 50 5 HIBARN CCOC(=O)c1cc(C(=O)c2ccccc2[N+](=O)[O-])n2cnc(-c3cccs3)cc12 ZINC000025623555 568837397 /nfs/dbraw/zinc/83/73/97/568837397.db2.gz MMDWCUDUJZJMCL-UHFFFAOYSA-N 0 0 421.434 4.379 50 5 HIBARN O=C(CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)OCc1ccc(Cl)cc1Cl ZINC000003270046 568850034 /nfs/dbraw/zinc/85/00/34/568850034.db2.gz PEPCQWFCRLZEBP-UHFFFAOYSA-N 0 0 417.632 4.028 50 5 HIBARN O=C(N[C@@H]1CCSc2c(F)cccc21)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000012548939 568852121 /nfs/dbraw/zinc/85/21/21/568852121.db2.gz ZHRZCGNJBUBSOB-MRXNPFEDSA-N 0 0 401.463 4.301 50 5 HIBARN COc1ccc(C(=O)N[C@@H](Oc2ccc([N+](=O)[O-])cc2)C(Cl)(Cl)Cl)cc1 ZINC000003091902 568854707 /nfs/dbraw/zinc/85/47/07/568854707.db2.gz VWNWEJHPNVYTBA-HNNXBMFYSA-N 0 0 419.648 4.109 50 5 HIBARN Cc1cc(-c2cccc3[nH]c(C(F)(F)F)nc32)nn1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000012566621 568860203 /nfs/dbraw/zinc/86/02/03/568860203.db2.gz UJBGZCQQPDXSBM-UHFFFAOYSA-N 0 0 415.331 4.350 50 5 HIBARN COCCNc1ccc(C(=O)Nc2ccc3c(c2)-c2ccccc2C3)cc1[N+](=O)[O-] ZINC000012607452 568871366 /nfs/dbraw/zinc/87/13/66/568871366.db2.gz DTKNTKRGQFVSTR-UHFFFAOYSA-N 0 0 403.438 4.477 50 5 HIBARN Cc1cccc(N2CCN(C(=O)c3ccc(N4CCC[C@@H](C)C4)c([N+](=O)[O-])c3)CC2)c1 ZINC000012616112 568871961 /nfs/dbraw/zinc/87/19/61/568871961.db2.gz FQVYNMPQKALOKM-LJQANCHMSA-N 0 0 422.529 4.102 50 5 HIBARN COc1ccccc1N[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)Cl ZINC000001232867 568880862 /nfs/dbraw/zinc/88/08/62/568880862.db2.gz HPMUSYZRTHHXFT-HNNXBMFYSA-N 0 0 418.664 4.142 50 5 HIBARN O=C(NCCCn1ccc2ccccc21)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000012639536 568884105 /nfs/dbraw/zinc/88/41/05/568884105.db2.gz WJSGGQFLQAODEJ-UHFFFAOYSA-N 0 0 402.248 4.132 50 5 HIBARN O=[N+]([O-])c1ccc(N2CCC(c3nc(-c4ccccc4)n[nH]3)CC2)c2ccncc21 ZINC000058200990 568899626 /nfs/dbraw/zinc/89/96/26/568899626.db2.gz DZWQLNZQGXEVFI-UHFFFAOYSA-N 0 0 400.442 4.312 50 5 HIBARN COc1cc(C(=O)OCc2cc(=O)oc3ccc4ccccc4c23)cc(OC)c1OC ZINC000003511630 568911332 /nfs/dbraw/zinc/91/13/32/568911332.db2.gz PLBHMMQHPYOZBP-UHFFFAOYSA-N 0 0 420.417 4.329 50 5 HIBARN O=C(Nc1ccccc1)c1ccccc1OCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000003523836 568912491 /nfs/dbraw/zinc/91/24/91/568912491.db2.gz JBAWEMYRISGFQU-UHFFFAOYSA-N 0 0 406.394 4.293 50 5 HIBARN CCc1nc2ccccc2c(C(=O)OCc2cc([N+](=O)[O-])cc3c2OCOC3)c1C ZINC000003536569 568913585 /nfs/dbraw/zinc/91/35/85/568913585.db2.gz MMQZXZGGTNZRFW-UHFFFAOYSA-N 0 0 408.410 4.237 50 5 HIBARN COc1ccc(S(=O)(=O)Nc2ccc3oc4c(c3c2)CCCC4)cc1[N+](=O)[O-] ZINC000004148323 568916715 /nfs/dbraw/zinc/91/67/15/568916715.db2.gz XNIKQZKLGLXJSI-UHFFFAOYSA-N 0 0 402.428 4.029 50 5 HIBARN CC(=O)N(c1nc(COC(=O)c2ccccc2[N+](=O)[O-])cs1)c1ccccc1F ZINC000012736891 568925673 /nfs/dbraw/zinc/92/56/73/568925673.db2.gz LNDZGZNBWFMNTL-UHFFFAOYSA-N 0 0 415.402 4.232 50 5 HIBARN Cc1c(F)cc(C(=O)Nc2ccc(-n3nccc3C(F)(F)F)cc2)cc1[N+](=O)[O-] ZINC000084028358 568933261 /nfs/dbraw/zinc/93/32/61/568933261.db2.gz AHECZQGZVNJENE-UHFFFAOYSA-N 0 0 408.311 4.499 50 5 HIBARN COc1ccccc1NC(=S)N1CCn2cccc2[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000004059435 568936696 /nfs/dbraw/zinc/93/66/96/568936696.db2.gz DCIYOOODOLNQSN-HXUWFJFHSA-N 0 0 408.483 4.207 50 5 HIBARN Cc1ccc(OCc2nc(CC(=O)Nc3ccc(F)c([N+](=O)[O-])c3)cs2)cc1 ZINC000012752464 568941751 /nfs/dbraw/zinc/94/17/51/568941751.db2.gz AFHNMJPKLTUPRX-UHFFFAOYSA-N 0 0 401.419 4.259 50 5 HIBARN C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)C1CCN(c2nc3ccccc3o2)CC1 ZINC000012777196 568955515 /nfs/dbraw/zinc/95/55/15/568955515.db2.gz PGWNFAIMEQIGFY-OAHLLOKOSA-N 0 0 408.458 4.172 50 5 HIBARN CN(CC(=O)Nc1ccc(F)c(F)c1F)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000008051561 568970785 /nfs/dbraw/zinc/97/07/85/568970785.db2.gz OJPMZOWLTFTXLQ-UHFFFAOYSA-N 0 0 407.270 4.106 50 5 HIBARN C[C@H](c1nc2ccccc2s1)N(C)C(=O)/C=C/c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000008347564 568994871 /nfs/dbraw/zinc/99/48/71/568994871.db2.gz MGEDIDDAAGIYJJ-ABZNLYFFSA-N 0 0 411.439 4.166 50 5 HIBARN O=c1c2ccccc2nc(/C=C/c2cccc([N+](=O)[O-])c2)n1-c1ccc([N+](=O)[O-])cc1 ZINC000008431718 569002930 /nfs/dbraw/zinc/00/29/30/569002930.db2.gz CWXASDWLGBICTQ-MDWZMJQESA-N 0 0 414.377 4.373 50 5 HIBARN CCCNc1ccc(-c2nc(-c3cc(OC)c(OC)c(OC)c3)no2)cc1[N+](=O)[O-] ZINC000015833816 569012790 /nfs/dbraw/zinc/01/27/90/569012790.db2.gz IKDZZOAZURMTMN-UHFFFAOYSA-N 0 0 414.418 4.160 50 5 HIBARN Cc1cc(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000019759080 569018472 /nfs/dbraw/zinc/01/84/72/569018472.db2.gz FJZPDGSOVGNVJO-UHFFFAOYSA-N 0 0 415.493 4.451 50 5 in-vitro HIBARN CCOc1cc2c(cc1NC(=O)c1ccc(Br)c([N+](=O)[O-])c1)O[C@H](C)C2 ZINC000012888580 569019739 /nfs/dbraw/zinc/01/97/39/569019739.db2.gz MSPKCLNFWVFKCN-SNVBAGLBSA-N 0 0 421.247 4.332 50 5 HIBARN COc1ccc(NC(=O)CN2CCc3sccc3[C@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000012928104 569024026 /nfs/dbraw/zinc/02/40/26/569024026.db2.gz BZRXEBSFTHUBMG-JOCHJYFZSA-N 0 0 423.494 4.251 50 5 HIBARN CSc1ccc(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)cc1[N+](=O)[O-] ZINC000012931033 569024697 /nfs/dbraw/zinc/02/46/97/569024697.db2.gz HEOAZCNHYKMMRM-INIZCTEOSA-N 0 0 414.483 4.455 50 5 HIBARN Cc1cccc(Oc2ccccc2NC(=O)CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)c1 ZINC000015985286 569025293 /nfs/dbraw/zinc/02/52/93/569025293.db2.gz BDAQDINYZOWFMY-UHFFFAOYSA-N 0 0 419.437 4.372 50 5 HIBARN CCCCCOC(=O)c1c2nc3ccccc3nc2n2c1[nH]c(=O)c1ccccc12 ZINC000006146623 569027454 /nfs/dbraw/zinc/02/74/54/569027454.db2.gz WXPIBFFSYREHJP-UHFFFAOYSA-N 0 0 400.438 4.224 50 5 HIBARN Nc1nc(CSc2nnc(Cc3ccc([N+](=O)[O-])cc3)n2-c2ccccc2)cs1 ZINC000016381900 569040195 /nfs/dbraw/zinc/04/01/95/569040195.db2.gz VTMRQQKWOASYPP-UHFFFAOYSA-N 0 0 424.511 4.097 50 5 HIBARN C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1 ZINC000012976822 569042356 /nfs/dbraw/zinc/04/23/56/569042356.db2.gz MWUHCWZGZYFWRH-DXRVJIQQSA-N 0 0 421.497 4.066 50 5 HIBARN CCCCc1ccc(OC(=O)CSc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])cc1 ZINC000001796625 569053291 /nfs/dbraw/zinc/05/32/91/569053291.db2.gz JVNLUNYMHSBUMO-UHFFFAOYSA-N 0 0 423.512 4.039 50 5 HIBARN O=C(COC(=O)c1cc([N+](=O)[O-])ccc1Cl)Nc1ccccc1C(F)(F)F ZINC000001936189 569059800 /nfs/dbraw/zinc/05/98/00/569059800.db2.gz HREBWMDRZGOBKP-UHFFFAOYSA-N 0 0 402.712 4.063 50 5 HIBARN O=C(CCC1CCCC1)Nc1nnc(SCC(=O)c2cccc([N+](=O)[O-])c2)s1 ZINC000035913001 569066004 /nfs/dbraw/zinc/06/60/04/569066004.db2.gz XBRONQKVXDPIIF-UHFFFAOYSA-N 0 0 420.516 4.330 50 5 HIBARN Cc1cc(C(=O)O[C@@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c(C)o1 ZINC000006586631 569067764 /nfs/dbraw/zinc/06/77/64/569067764.db2.gz VWAOMMJSLQORGN-LBPRGKRZSA-N 0 0 415.427 4.112 50 5 HIBARN Cc1c(OC(=O)c2ccccc2[N+](=O)[O-])cccc1OC(=O)c1ccccc1[N+](=O)[O-] ZINC000002062761 569072856 /nfs/dbraw/zinc/07/28/56/569072856.db2.gz YXRAWDDNMQERNA-UHFFFAOYSA-N 0 0 422.349 4.250 50 5 HIBARN O=[N+]([O-])c1ccc(S(=O)(=O)N(Cc2ccc(F)cc2F)c2ccccc2)cc1 ZINC000036247237 569116506 /nfs/dbraw/zinc/11/65/06/569116506.db2.gz FMFGGRDHUSEQLN-UHFFFAOYSA-N 0 0 404.394 4.269 50 5 HIBARN Cc1ccc(NC(=O)[C@@H](NCc2ccc3c(c2)OCO3)c2ccccc2)c([N+](=O)[O-])c1 ZINC000006840976 569152041 /nfs/dbraw/zinc/15/20/41/569152041.db2.gz GBBFSVYJRQADCY-QFIPXVFZSA-N 0 0 419.437 4.102 50 5 HIBARN Cc1cccc(C(=O)NC[C@@H](c2ccccc2)N2CCc3sccc3C2)c1[N+](=O)[O-] ZINC000036391309 569166412 /nfs/dbraw/zinc/16/64/12/569166412.db2.gz QRDBDGFGAIBGKO-FQEVSTJZSA-N 0 0 421.522 4.494 50 5 HIBARN C[C@H](NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)c1cccc(C(F)(F)F)c1 ZINC000036393830 569168333 /nfs/dbraw/zinc/16/83/33/569168333.db2.gz RSOHYVWXWVCZND-LBPRGKRZSA-N 0 0 404.348 4.290 50 5 HIBARN C[C@@H](NC(=O)COc1ccccc1[N+](=O)[O-])c1cccc(NC(=O)c2ccccc2)c1 ZINC000036395181 569168599 /nfs/dbraw/zinc/16/85/99/569168599.db2.gz PCGNWVOIRHLUBQ-MRXNPFEDSA-N 0 0 419.437 4.103 50 5 HIBARN COc1ccc(C(=O)OCC(=O)c2ccc3c(c2)-c2ccccc2C3)cc1[N+](=O)[O-] ZINC000007062647 569216988 /nfs/dbraw/zinc/21/69/88/569216988.db2.gz VWCLIXICCQHZMA-UHFFFAOYSA-N 0 0 403.390 4.214 50 5 HIBARN O=C(CSc1nnc(COc2ccc(Cl)cc2)o1)c1ccc([N+](=O)[O-])cc1 ZINC000007342081 569234569 /nfs/dbraw/zinc/23/45/69/569234569.db2.gz MNVYNSVQFAVXPC-UHFFFAOYSA-N 0 0 405.819 4.185 50 5 HIBARN Cc1ccc(-c2noc([C@@H](C)OC(=O)c3cc([N+](=O)[O-])cc(C)c3F)n2)cc1F ZINC000170616550 569247433 /nfs/dbraw/zinc/24/74/33/569247433.db2.gz NGWJYNJFKONPHS-LLVKDONJSA-N 0 0 403.341 4.458 50 5 HIBARN NC(=O)c1c(NC(=O)c2sc3c(cccc3[N+](=O)[O-])c2Cl)sc2c1CCC2 ZINC000002197052 569294615 /nfs/dbraw/zinc/29/46/15/569294615.db2.gz IYJMJHYKUMXWSY-UHFFFAOYSA-N 0 0 421.887 4.364 50 5 HIBARN O=C(N[C@H](Cc1ccccc1)c1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1cccs1 ZINC000037380843 569295185 /nfs/dbraw/zinc/29/51/85/569295185.db2.gz WCSAJKMEBMMNTF-QGZVFWFLSA-N 0 0 420.450 4.420 50 5 HIBARN O=C(Nc1nc(-c2ccccn2)cs1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000007804788 569311711 /nfs/dbraw/zinc/31/17/11/569311711.db2.gz WNJNTBAOZUQWAF-UHFFFAOYSA-N 0 0 409.471 4.356 50 5 HIBARN O=C(Nc1cccc(F)c1)/C(=C/c1cccc([N+](=O)[O-])c1)NC(=O)c1ccccc1F ZINC000027522105 569351838 /nfs/dbraw/zinc/35/18/38/569351838.db2.gz HEBYECLNDHWWLI-NDENLUEZSA-N 0 0 423.375 4.283 50 5 HIBARN COc1ccc(C(=O)Nc2ccc3nn(-c4ccc(Cl)cc4)nc3c2)cc1[N+](=O)[O-] ZINC000027522715 569362963 /nfs/dbraw/zinc/36/29/63/569362963.db2.gz PAUKVVKYMKPLOQ-UHFFFAOYSA-N 0 0 423.816 4.243 50 5 HIBARN O=[N+]([O-])c1c2nonc2c(N2CCOCC2)cc1Nc1ccc(-c2ccccc2)cc1 ZINC000027532389 569367689 /nfs/dbraw/zinc/36/76/89/569367689.db2.gz PPNTYGHPQHXNSO-UHFFFAOYSA-N 0 0 417.425 4.378 50 5 HIBARN O=c1c2c3nc4ccccc4nc3n(-c3ccccc3)c2ncn1Cc1ccccc1 ZINC000002303082 569372249 /nfs/dbraw/zinc/37/22/49/569372249.db2.gz PPEBQELKJZIAOK-UHFFFAOYSA-N 0 0 403.445 4.332 50 5 HIBARN O=c1c2ccccc2nc(/C=C/c2ccccc2[N+](=O)[O-])n1-c1cccc([N+](=O)[O-])c1 ZINC000009041693 569391326 /nfs/dbraw/zinc/39/13/26/569391326.db2.gz DFGXIOIHJOIURX-OUKQBFOZSA-N 0 0 414.377 4.373 50 5 HIBARN O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1cc(F)c(F)cc1Cl ZINC000009554223 569393638 /nfs/dbraw/zinc/39/36/38/569393638.db2.gz MBMHTSACPGPJKQ-UHFFFAOYSA-N 0 0 423.725 4.387 50 5 HIBARN O=C(c1ccccc1)N1C[C@H](COc2ccccc2)O[C@@H](c2cccc([N+](=O)[O-])c2)O1 ZINC000012375889 569400569 /nfs/dbraw/zinc/40/05/69/569400569.db2.gz WRNXVIGVCCGWAI-FYYLOGMGSA-N 0 0 420.421 4.145 50 5 HIBARN Cc1ccc(NC(=O)[C@H](C)Sc2n[nH]c(-c3ccccc3Cl)n2)cc1[N+](=O)[O-] ZINC000013371467 569412897 /nfs/dbraw/zinc/41/28/97/569412897.db2.gz HJIVTIIHNKIFMZ-NSHDSACASA-N 0 0 417.878 4.461 50 5 HIBARN Cc1c2oc3c(nc4c(c(=O)[nH]n4C4CCCC4)c3-c3ccc[nH]c3=O)c2ccc1O ZINC000079478833 569431660 /nfs/dbraw/zinc/43/16/60/569431660.db2.gz JURPODNAAZTYJY-UHFFFAOYSA-N 0 0 416.437 4.108 50 5 HIBARN O=C(c1cccc([N+](=O)[O-])c1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000019879968 569432979 /nfs/dbraw/zinc/43/29/79/569432979.db2.gz NDGRAIZFVKUQSJ-UHFFFAOYSA-N 0 0 401.466 4.142 50 5 HIBARN C[C@@]12C[C@@H](NC(=O)N1c1ccc(Br)cc1F)c1cc([N+](=O)[O-])ccc1O2 ZINC000067240931 571052083 /nfs/dbraw/zinc/05/20/83/571052083.db2.gz YGAHYUOXVFXWJL-CXAGYDPISA-N 0 0 422.210 4.266 50 5 HIBARN C[C@@]12C[C@@H](NC(=O)N1c1ccccc1Br)c1cc([N+](=O)[O-])ccc1O2 ZINC000067240925 571052123 /nfs/dbraw/zinc/05/21/23/571052123.db2.gz UXUNRNMZLMDIDT-CXAGYDPISA-N 0 0 404.220 4.127 50 5 HIBARN O=C(COc1ccccc1-c1nc(-c2ccccc2)no1)Nc1ccccc1[N+](=O)[O-] ZINC000008586879 571083628 /nfs/dbraw/zinc/08/36/28/571083628.db2.gz LCKUGDWWCBPUGW-UHFFFAOYSA-N 0 0 416.393 4.329 50 5 HIBARN Cc1ccc(CNc2nc(-c3ccco3)nn2C(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000008673658 571100725 /nfs/dbraw/zinc/10/07/25/571100725.db2.gz TYDKUHXDKHTYLN-UHFFFAOYSA-N 0 0 403.398 4.055 50 5 HIBARN Cc1ccn2c(c1)nc(-c1ccccc1)c2NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000008740617 571109167 /nfs/dbraw/zinc/10/91/67/571109167.db2.gz QMFSXARBTGCLFP-UHFFFAOYSA-N 0 0 417.381 4.378 50 5 HIBARN COc1ccc(-c2ccc(C(=O)Nc3ccc([N+](=O)[O-])cc3OC)o2)c([N+](=O)[O-])c1 ZINC000008753742 571112616 /nfs/dbraw/zinc/11/26/16/571112616.db2.gz TYCMFHYUMAPSOQ-UHFFFAOYSA-N 0 0 413.342 4.033 50 5 HIBARN O=C(N[C@@H]1CCCc2c1cnn2Cc1ccccc1)c1ccc([N+](=O)[O-])cc1Cl ZINC000040081831 571156338 /nfs/dbraw/zinc/15/63/38/571156338.db2.gz OXTCGGNRZNIKST-LJQANCHMSA-N 0 0 410.861 4.300 50 5 HIBARN Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000040133365 571185943 /nfs/dbraw/zinc/18/59/43/571185943.db2.gz RKPDXANYTSXZAB-UHFFFAOYSA-N 0 0 412.877 4.252 50 5 HIBARN O=C1S/C(=C/c2cc([N+](=O)[O-])ccc2Cl)C(=O)N1Cc1ccccc1[N+](=O)[O-] ZINC000009232578 571239838 /nfs/dbraw/zinc/23/98/38/571239838.db2.gz RNHJVEUDUJOICV-OVCLIPMQSA-N 0 0 419.802 4.393 50 5 HIBARN Nc1c(C(=O)Nc2ccccc2F)c2ccccn2c1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000009316985 571247570 /nfs/dbraw/zinc/24/75/70/571247570.db2.gz MENPMXIABMJRAZ-UHFFFAOYSA-N 0 0 418.384 4.052 50 5 HIBARN CC1=C(C(=O)Nc2cccc([N+](=O)[O-])c2)[C@@H](c2ccc(Cl)c(Cl)c2)NC(=O)N1 ZINC000009402792 571254862 /nfs/dbraw/zinc/25/48/62/571254862.db2.gz IALJBJYUEMTSRB-MRXNPFEDSA-N 0 0 421.240 4.168 50 5 HIBARN O=C(COC(=O)c1ccccc1OCc1ccc(F)cc1)Nc1ccccc1[N+](=O)[O-] ZINC000009509838 571264039 /nfs/dbraw/zinc/26/40/39/571264039.db2.gz GFJVSYINVYYPLE-UHFFFAOYSA-N 0 0 424.384 4.108 50 5 HIBARN Cc1cc(N2C(=O)c3oc4ccc(C)cc4c(=O)c3[C@@H]2c2cccc([N+](=O)[O-])c2)no1 ZINC000009510537 571264175 /nfs/dbraw/zinc/26/41/75/571264175.db2.gz HDCWKZGWEABGLK-IBGZPJMESA-N 0 0 417.377 4.056 50 5 HIBARN O=C(/C=C/c1cc([N+](=O)[O-])ccc1OC(F)F)Nc1ccc(OC(F)F)cc1 ZINC000003196906 845009785 /nfs/dbraw/zinc/00/97/85/845009785.db2.gz NUQXONIUIXQXJM-UNXLUWIOSA-N 0 0 400.284 4.450 50 5 HIBARN O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)N1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000012739040 845888037 /nfs/dbraw/zinc/88/80/37/845888037.db2.gz CASJCGARNGLWHU-PXUDHTSWSA-N 0 0 413.861 4.139 50 5 HIBARN COc1ccc(/C=C\C(=O)Nc2ccc([N+](=O)[O-])cc2Br)cc1OC ZINC000034877403 848141756 /nfs/dbraw/zinc/14/17/56/848141756.db2.gz JYAAZROHNWSAMB-YWEYNIOJSA-N 0 0 407.220 4.026 50 5 HIBARN O=C(N/C=C\n1cnc2cc(C(F)(F)F)ccc21)c1cc([N+](=O)[O-])ccc1Cl ZINC000035153254 848142471 /nfs/dbraw/zinc/14/24/71/848142471.db2.gz WOGZABUPLPFTQG-WAYWQWQTSA-N 0 0 410.739 4.475 50 5 HIBARN CCN(C(=O)COC(=O)/C=C\c1ccccc1[N+](=O)[O-])c1cccc2ccccc21 ZINC000097655834 852645425 /nfs/dbraw/zinc/64/54/25/852645425.db2.gz BPMKVWZEDPUCRQ-PFONDFGASA-N 0 0 404.422 4.358 50 5 HIBARN O=C(C(c1ccccc1)c1ccccc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000003878784 132269039 /nfs/dbraw/zinc/26/90/39/132269039.db2.gz GTMXKIRJACAAGM-UHFFFAOYSA-N 0 0 401.466 4.076 50 5 HIBARN O=[N+]([O-])c1ccc(N2CCN(c3c(Cl)cccc3[N+](=O)[O-])CC2)c2ncccc12 ZINC000004311657 132275012 /nfs/dbraw/zinc/27/50/12/132275012.db2.gz TVAICSUBQIXNFI-UHFFFAOYSA-N 0 0 413.821 4.031 50 5 HIBARN O=C(c1ccccc1Cl)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000004551363 132278357 /nfs/dbraw/zinc/27/83/57/132278357.db2.gz MTBCIDVWVATLFB-UHFFFAOYSA-N 0 0 413.783 4.229 50 5 HIBARN Cc1ccccc1C(=O)N1CCN(c2ccc([N+](=O)[O-])c(NCC(C)(C)C)c2)CC1 ZINC000004740915 132286735 /nfs/dbraw/zinc/28/67/35/132286735.db2.gz BEARTWLLRBXWFQ-UHFFFAOYSA-N 0 0 410.518 4.324 50 5 HIBARN O=C(Nc1ccccc1Cc1ccccc1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000005199968 132303817 /nfs/dbraw/zinc/30/38/17/132303817.db2.gz UVROCHLMWSPGOK-UHFFFAOYSA-N 0 0 417.465 4.275 50 5 HIBARN C[C@H]1CCc2nc(NC(=O)c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)sc2C1 ZINC000005446773 132305777 /nfs/dbraw/zinc/30/57/77/132305777.db2.gz MBOGHOULGURNDA-ZDUSSCGKSA-N 0 0 400.504 4.419 50 5 HIBARN Cc1cccc(Nc2nc(N)c([N+](=O)[O-])c(N3CCC(Cc4ccccc4)CC3)n2)c1 ZINC000009350233 132338953 /nfs/dbraw/zinc/33/89/53/132338953.db2.gz YIHYUOVVCLYDEM-UHFFFAOYSA-N 0 0 418.501 4.478 50 5 HIBARN CN(CCOc1ccccc1Cl)C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000016175587 132463596 /nfs/dbraw/zinc/46/35/96/132463596.db2.gz NZTORWAHNMRLCD-UHFFFAOYSA-N 0 0 417.893 4.002 50 5 HIBARN CC(=O)N[C@H](C)c1ccc(-c2csc(NC(=O)c3csc([N+](=O)[O-])c3)n2)cc1 ZINC000044373106 519694562 /nfs/dbraw/zinc/69/45/62/519694562.db2.gz ROHWUTQSQUMCJJ-SNVBAGLBSA-N 0 0 416.484 4.229 50 5 HIBARN COc1ccc(NC(=O)COc2ccc3[nH]c4ccccc4c(=O)c3c2)cc1Cl ZINC000032957516 524504271 /nfs/dbraw/zinc/50/42/71/524504271.db2.gz XZHPDNGBFJIOIR-UHFFFAOYSA-N 0 0 408.841 4.361 50 5 HIBARN Cc1cc(Br)cc(C)c1NC(=S)NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000001180488 526154954 /nfs/dbraw/zinc/15/49/54/526154954.db2.gz NKTZYYHZFOGORK-UHFFFAOYSA-N 0 0 408.277 4.101 50 5 HIBARN O=C(c1ccc(F)cc1)N1CCCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000032776839 526689997 /nfs/dbraw/zinc/68/99/97/526689997.db2.gz FEXJGTYXEBJGBV-UHFFFAOYSA-N 0 0 411.355 4.105 50 5 HIBARN NC(=O)CSc1ncc(-c2cccc([N+](=O)[O-])c2)n1-c1cccc(C(F)(F)F)c1 ZINC000044087813 526901916 /nfs/dbraw/zinc/90/19/16/526901916.db2.gz KQPXRFDWCYXSIM-UHFFFAOYSA-N 0 0 422.388 4.044 50 5 HIBARN CC(C)c1ccc(O[P@@](C)(=O)NN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000004045163 535373347 /nfs/dbraw/zinc/37/33/47/535373347.db2.gz ZDDSPWVHAZUYEM-GDLZYMKVSA-N 0 0 418.434 4.247 50 5 HIBARN COCc1cc(C)nc2c1C(=O)N[C@@H](c1ccc([N+](=O)[O-])cc1)N2c1ccc(F)cc1 ZINC000012445437 536704706 /nfs/dbraw/zinc/70/47/06/536704706.db2.gz NTKWXHYILURPJR-HXUWFJFHSA-N 0 0 422.416 4.164 50 5 HIBARN CCOC(=O)c1cnc2c3ccccc3ccc2c1NCCOC(=O)c1ccncc1 ZINC000005958543 557682593 /nfs/dbraw/zinc/68/25/93/557682593.db2.gz BYIHBHHATLCLOX-UHFFFAOYSA-N 0 0 415.449 4.229 50 5 HIBARN Cc1ccc(C(=O)NC[C@H](c2ccco2)N2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000022907043 557852478 /nfs/dbraw/zinc/85/24/78/557852478.db2.gz CUNZCWBRGABSJK-OAQYLSRUSA-N 0 0 405.454 4.026 50 5 HIBARN Cn1c(C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2)nc2ccccc21 ZINC000012628938 558441176 /nfs/dbraw/zinc/44/11/76/558441176.db2.gz YQLHORKUFXALQE-FQEVSTJZSA-N 0 0 400.438 4.195 50 5 HIBARN CC(=O)N(CCCn1c2ccccc2c2nc3ccc([N+](=O)[O-])cc3cc21)C(C)=O ZINC000022589643 558500159 /nfs/dbraw/zinc/50/01/59/558500159.db2.gz LZHUJEOYZXYROC-UHFFFAOYSA-N 0 0 404.426 4.036 50 5 HIBARN O=C(CCCCCCC(=O)Nc1ccccc1[N+](=O)[O-])Nc1ccccc1[N+](=O)[O-] ZINC000004499378 558612415 /nfs/dbraw/zinc/61/24/15/558612415.db2.gz FJXYWWOYJFQEIO-UHFFFAOYSA-N 0 0 414.418 4.421 50 5 HIBARN Cc1ccc(C2=N/C(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)C(=O)O2)cc1[N+](=O)[O-] ZINC000013477527 558660432 /nfs/dbraw/zinc/66/04/32/558660432.db2.gz XMXVNRHNYLSTNS-BOPFTXTBSA-N 0 0 419.349 4.416 50 5 HIBARN CCOC(=O)c1cc(C(=O)c2ccccc2[N+](=O)[O-])n2c1ccc1cc(OC)ccc12 ZINC000004542221 558663284 /nfs/dbraw/zinc/66/32/84/558663284.db2.gz GDOOIVAEDCHSJH-UHFFFAOYSA-N 0 0 418.405 4.417 50 5 HIBARN COc1ccc(C(=O)N[C@H](Nc2ccc([N+](=O)[O-])cc2)C(Cl)(Cl)Cl)cc1 ZINC000015229486 558728923 /nfs/dbraw/zinc/72/89/23/558728923.db2.gz LAUNNTZOKBUERR-HNNXBMFYSA-N 0 0 418.664 4.142 50 5 HIBARN COc1ccc(C(=O)N[C@@H](Nc2ccc([N+](=O)[O-])cc2)C(Cl)(Cl)Cl)cc1 ZINC000015229485 558728986 /nfs/dbraw/zinc/72/89/86/558728986.db2.gz LAUNNTZOKBUERR-OAHLLOKOSA-N 0 0 418.664 4.142 50 5 HIBARN COc1cc(/C=C2\SC(=O)N(C(C)C)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000013546591 558842381 /nfs/dbraw/zinc/84/23/81/558842381.db2.gz QEGJEXUIPHVLSZ-SXGWCWSVSA-N 0 0 415.427 4.235 50 5 HIBARN O=C(NCCCNc1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-])c1cccc(O)c1 ZINC000060363030 558888242 /nfs/dbraw/zinc/88/82/42/558888242.db2.gz IHVHOTFAJCGWGM-UHFFFAOYSA-N 0 0 417.771 4.205 50 5 HIBARN O=C1[C@H]2CCCC[C@@H]2C(=O)N1c1ccc(NCCc2cccc(F)c2)c([N+](=O)[O-])c1 ZINC000004683656 558894733 /nfs/dbraw/zinc/89/47/33/558894733.db2.gz BYAUVGZKPBXTBC-ROUUACIJSA-N 0 0 411.433 4.068 50 5 HIBARN C[C@@H](NC(=O)COC(=O)c1cc(Cl)ccc1[N+](=O)[O-])C12CC3CC(CC(C3)C1)C2 ZINC000004808352 559068557 /nfs/dbraw/zinc/06/85/57/559068557.db2.gz HHPLPHAMBVKAOT-CSNVJCEJSA-N 0 0 420.893 4.126 50 5 HIBARN O=C(/C=C\c1cccc([N+](=O)[O-])c1)Nc1ccc2nn(-c3ccc(F)cc3)nc2c1 ZINC000005073102 559240462 /nfs/dbraw/zinc/24/04/62/559240462.db2.gz TVXUTPSOSPMLLD-WCIBSUBMSA-N 0 0 403.373 4.120 50 5 HIBARN Cc1c(C(=O)Nc2ccc(-c3nc4ccccc4c(=O)o3)cc2)cccc1[N+](=O)[O-] ZINC000005111428 559246991 /nfs/dbraw/zinc/24/69/91/559246991.db2.gz FRGUWNSDNBOUOA-UHFFFAOYSA-N 0 0 401.378 4.324 50 5 HIBARN O=C(c1cccc([N+](=O)[O-])c1)N1CCN=C1SCc1ccc(Br)cc1 ZINC000011757684 559257680 /nfs/dbraw/zinc/25/76/80/559257680.db2.gz XBLFCFFKMIEGRA-UHFFFAOYSA-N 0 0 420.288 4.103 50 5 HIBARN O=C(Nc1ccc(F)cc1)/C(=C/c1cccc([N+](=O)[O-])c1)NC(=O)c1cccs1 ZINC000005196407 559291808 /nfs/dbraw/zinc/29/18/08/559291808.db2.gz PIIQQGKDYRSSBJ-ATVHPVEESA-N 0 0 411.414 4.205 50 5 HIBARN Cc1cc(N2C(=O)c3oc4c5ccccc5ccc4c(=O)c3[C@H]2c2ccncc2)no1 ZINC000005203349 560538306 /nfs/dbraw/zinc/53/83/06/560538306.db2.gz MMXIMAOFSZOPTP-HXUWFJFHSA-N 0 0 409.401 4.387 50 5 HIBARN CC(=O)Nc1ccc(-n2cc(OC(C)=O)c3c4nc5ccccc5n4c(C)nc32)cc1 ZINC000005460821 560592791 /nfs/dbraw/zinc/59/27/91/560592791.db2.gz YQKYXRDNPVWSRC-UHFFFAOYSA-N 0 0 413.437 4.019 50 5 HIBARN Clc1ccccc1CSc1nnc2n3ncnc3c3c4c(sc3n12)CCC4 ZINC000005478213 560595041 /nfs/dbraw/zinc/59/50/41/560595041.db2.gz DCDGMXQFQBGLPQ-UHFFFAOYSA-N 0 0 412.931 4.421 50 5 HIBARN O=C1N=C(c2ccccc2)C(c2nc3ccccc3[nH]2)[C@H](c2ccc([N+](=O)[O-])cc2)N1 ZINC000005588735 560627158 /nfs/dbraw/zinc/62/71/58/560627158.db2.gz XMWYCKMPSVSYKE-NRFANRHFSA-N 0 0 411.421 4.394 50 5 HIBARN O=C1[C@H]2CC=CC[C@@H]2C(=O)N1c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000102785291 560827550 /nfs/dbraw/zinc/82/75/50/560827550.db2.gz DKWOAYCOKSTUDP-HOTGVXAUSA-N 0 0 411.845 4.316 50 5 HIBARN O=C(NCc1cccnc1OC1CCCC1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000048261210 568433566 /nfs/dbraw/zinc/43/35/66/568433566.db2.gz VCLSKEDRECDOOH-UHFFFAOYSA-N 0 0 424.501 4.232 50 5 HIBARN CCCOc1ccc(Cl)cc1NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000048290774 568435260 /nfs/dbraw/zinc/43/52/60/568435260.db2.gz KFCUKMCZYASWBZ-UHFFFAOYSA-N 0 0 400.822 4.475 50 5 HIBARN O=C(Cc1ccccc1[N+](=O)[O-])N1CCC[C@@H]1Cc1ccc(Br)cc1 ZINC000048375075 568442319 /nfs/dbraw/zinc/44/23/19/568442319.db2.gz SFSYVBHGLDOFJD-QGZVFWFLSA-N 0 0 403.276 4.134 50 5 HIBARN Cc1cc(=O)oc2cc(NC(=O)[C@@H](C)Oc3ccc([N+](=O)[O-])cc3Cl)ccc12 ZINC000049967605 568453622 /nfs/dbraw/zinc/45/36/22/568453622.db2.gz NCSHSWXZZFKDPN-LLVKDONJSA-N 0 0 402.790 4.069 50 5 HIBARN O=C(CCNc1ccccc1[N+](=O)[O-])Nc1nc(-c2cc(F)ccc2F)cs1 ZINC000014899383 568453832 /nfs/dbraw/zinc/45/38/32/568453832.db2.gz WQQNHNMQHXGXPD-UHFFFAOYSA-N 0 0 404.398 4.437 50 5 HIBARN CCOc1ccc(/C=C2\N=C(c3ccc([N+](=O)[O-])cc3Cl)OC2=O)cc1OC ZINC000000783607 568474535 /nfs/dbraw/zinc/47/45/35/568474535.db2.gz YRNAXFYMNMQXDI-NVNXTCNLSA-N 0 0 402.790 4.000 50 5 HIBARN COc1cc(-c2c3c[nH]nc3nc3c4ccc(O)c(C)c4oc32)cc2c1OCCO2 ZINC000218261714 568477030 /nfs/dbraw/zinc/47/70/30/568477030.db2.gz SGQGGKKRLAOFKK-UHFFFAOYSA-N 0 0 403.394 4.318 50 5 HIBARN O=c1/c(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)sc2nc3ccccc3n12 ZINC000000797362 568478602 /nfs/dbraw/zinc/47/86/02/568478602.db2.gz SJFDQNOZVOSBOK-ZDLGFXPLSA-N 0 0 423.837 4.279 50 5 HIBARN Cc1ccccc1C(=O)N[C@@H](Nc1cccc([N+](=O)[O-])c1)C(Cl)(Cl)Cl ZINC000000808674 568483850 /nfs/dbraw/zinc/48/38/50/568483850.db2.gz XZMFTMORLRBSCC-OAHLLOKOSA-N 0 0 402.665 4.441 50 5 HIBARN CCOC(=O)/C=C(\C)N1N=C(c2cccc([N+](=O)[O-])c2)C[C@H]1c1ccc(OC)cc1 ZINC000000820349 568497792 /nfs/dbraw/zinc/49/77/92/568497792.db2.gz MKPKKOWFCVLYGF-NKSQBSFPSA-N 0 0 409.442 4.221 50 5 HIBARN CC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]12 ZINC000000835812 568501712 /nfs/dbraw/zinc/50/17/12/568501712.db2.gz IHITZEHWKGKLRG-YCIYHOANSA-N 0 0 410.429 4.166 50 5 HIBARN O=C(Cc1ccccc1)N[C@H](Oc1ccccc1[N+](=O)[O-])C(Cl)(Cl)Cl ZINC000000832364 568512133 /nfs/dbraw/zinc/51/21/33/568512133.db2.gz RCEBWLXEHWHSKY-OAHLLOKOSA-N 0 0 403.649 4.029 50 5 HIBARN O=c1c2ccc[nH]c-2c(Nc2ccc([N+](=O)[O-])cc2Cl)n1Cc1cccs1 ZINC000020319820 568598499 /nfs/dbraw/zinc/59/84/99/568598499.db2.gz BSKZLSYVPFXOTC-QGZVFWFLSA-N 0 0 400.847 4.471 50 5 HIBARN Cc1ccc(N2C(=O)N(Cc3ccc([N+](=O)[O-])cc3)c3ccccc3S2(=O)=O)cc1 ZINC000021117354 568669262 /nfs/dbraw/zinc/66/92/62/568669262.db2.gz VEEHZDQJYJONNS-UHFFFAOYSA-N 0 0 423.450 4.239 50 5 HIBARN CCCCN1c2ccccc2S(=O)(=O)N=C1SCc1cccc([N+](=O)[O-])c1 ZINC000021117431 568669329 /nfs/dbraw/zinc/66/93/29/568669329.db2.gz FTMYJPWVJZSJKB-UHFFFAOYSA-N 0 0 405.501 4.193 50 5 HIBARN COc1ccc([N+](=O)[O-])cc1C(=O)NCCc1ccc(-c2csc(C)n2)s1 ZINC000012396920 568698072 /nfs/dbraw/zinc/69/80/72/568698072.db2.gz XYIDPVBPZNIUGW-UHFFFAOYSA-N 0 0 403.485 4.069 50 5 HIBARN CC(C)CN(CCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C(=O)/C=C/c1ccccc1 ZINC000096277787 568716161 /nfs/dbraw/zinc/71/61/61/568716161.db2.gz VXCKRWRSQHMSNP-MDWZMJQESA-N 0 0 420.469 4.385 50 5 HIBARN C[C@H](Cc1ccccc1)NC(=O)C(c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 ZINC000003093291 568727501 /nfs/dbraw/zinc/72/75/01/568727501.db2.gz SKSBIDXFNLSUDP-MRXNPFEDSA-N 0 0 419.437 4.382 50 5 HIBARN COc1ccc(-n2nc3cc(C)c(NC(=O)c4cccc([N+](=O)[O-])c4C)cc3n2)cc1 ZINC000000971856 568758882 /nfs/dbraw/zinc/75/88/82/568758882.db2.gz SCICTLSTBMNBSL-UHFFFAOYSA-N 0 0 417.425 4.206 50 5 HIBARN O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N(Cc1ccco1)Cc1cccs1 ZINC000025303499 568763307 /nfs/dbraw/zinc/76/33/07/568763307.db2.gz SWWIVJGSRPOFFT-UHFFFAOYSA-N 0 0 408.439 4.278 50 5 HIBARN CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000001068303 568766012 /nfs/dbraw/zinc/76/60/12/568766012.db2.gz AEUKDHFBHXXWCK-UHFFFAOYSA-N 0 0 410.835 4.250 50 5 HIBARN COc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1NC(=O)Cc1ccccc1 ZINC000001122441 568771417 /nfs/dbraw/zinc/77/14/17/568771417.db2.gz TXOITKFKSXXHML-UHFFFAOYSA-N 0 0 405.410 4.037 50 5 HIBARN COc1cc(C(=O)Oc2ccc3c4ccccc4c(=O)oc3c2C)cc(OC)c1OC ZINC000001124883 568772861 /nfs/dbraw/zinc/77/28/61/568772861.db2.gz SOOKTGCKIZSTDQ-UHFFFAOYSA-N 0 0 420.417 4.500 50 5 biogenic HIBARN CCC(CC)[C@H]1C[C@@H](NC(=O)c2sc(Br)cc2[N+](=O)[O-])CCO1 ZINC000225549194 568772968 /nfs/dbraw/zinc/77/29/68/568772968.db2.gz UPEDDBGWKMJIBO-CMPLNLGQSA-N 0 0 405.314 4.132 50 5 HIBARN O=C(CSc1nnc(-c2ccc(Br)cc2)o1)c1ccc([N+](=O)[O-])cc1 ZINC000001131143 568773163 /nfs/dbraw/zinc/77/31/63/568773163.db2.gz DLYDOUNUWOSSTK-UHFFFAOYSA-N 0 0 420.244 4.382 50 5 HIBARN COc1ccc2c(C)cc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3F)nc2c1 ZINC000002662194 568799420 /nfs/dbraw/zinc/79/94/20/568799420.db2.gz KNGIPIWSCALWQJ-UHFFFAOYSA-N 0 0 401.419 4.330 50 5 HIBARN CC[C@@H](Sc1nc(C)cc(C)n1)C(=O)Nc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000002746453 568806025 /nfs/dbraw/zinc/80/60/25/568806025.db2.gz LLJIUHDFBJNHHZ-CYBMUJFWSA-N 0 0 403.489 4.121 50 5 HIBARN COc1ccc(C(=O)Nc2c(C)nn(Cc3ccccc3Cl)c2C)cc1[N+](=O)[O-] ZINC000002763973 568807055 /nfs/dbraw/zinc/80/70/55/568807055.db2.gz NBFAHMFVEZJYQK-UHFFFAOYSA-N 0 0 414.849 4.371 50 5 HIBARN Cn1nccc1C(=O)Nc1cc(Sc2nc3ccccc3s2)cc([N+](=O)[O-])c1 ZINC000002766348 568807502 /nfs/dbraw/zinc/80/75/02/568807502.db2.gz ZNXOGPQRPWMBMC-UHFFFAOYSA-N 0 0 411.468 4.342 50 5 HIBARN CCCSc1nnc2c(n1)O[C@H](/C=C/c1ccc([N+](=O)[O-])o1)Nc1ccccc1-2 ZINC000002911450 568815707 /nfs/dbraw/zinc/81/57/07/568815707.db2.gz GVIRNCIBRXILOL-LOWQCSRCSA-N 0 0 411.443 4.386 50 5 HIBARN O=[N+]([O-])c1ccc(-n2ncnc2C(F)(F)c2ncc(C(F)(F)F)cc2Cl)cc1 ZINC000261494956 568820807 /nfs/dbraw/zinc/82/08/07/568820807.db2.gz XJAVJSMCERKHNW-UHFFFAOYSA-N 0 0 419.697 4.383 50 5 HIBARN O=C(Nc1cc([N+](=O)[O-])ccc1F)c1cc(I)ccc1Cl ZINC000001184174 568821840 /nfs/dbraw/zinc/82/18/40/568821840.db2.gz FHSNCOKKNZRFHA-UHFFFAOYSA-N 0 0 420.565 4.244 50 5 HIBARN O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc(O)c(-c2nc3ccccc3o2)c1 ZINC000001186149 568821886 /nfs/dbraw/zinc/82/18/86/568821886.db2.gz OWCOBRWDDFXXFN-UHFFFAOYSA-N 0 0 405.366 4.126 50 5 HIBARN CCOc1ccc(/C=C2\N=C(c3ccc(Cl)c([N+](=O)[O-])c3)OC2=O)c(OCC)c1 ZINC000001192262 568822827 /nfs/dbraw/zinc/82/28/27/568822827.db2.gz ZYPNDDPNBZYWTF-SXGWCWSVSA-N 0 0 416.817 4.390 50 5 HIBARN O=[N+]([O-])c1cccc([C@H]2SCCN2S(=O)(=O)c2ccc3ccccc3c2)c1 ZINC000001195663 568822998 /nfs/dbraw/zinc/82/29/98/568822998.db2.gz JIQNAVWNHXVANF-LJQANCHMSA-N 0 0 400.481 4.184 50 5 HIBARN COc1ccc(C(=O)Nc2ccc(O)c(-c3nc4ccccc4o3)c2)cc1[N+](=O)[O-] ZINC000001208460 568823391 /nfs/dbraw/zinc/82/33/91/568823391.db2.gz MSQMFMPDFFNQDD-UHFFFAOYSA-N 0 0 405.366 4.370 50 5 HIBARN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Sc1nnc(C)n1C1CCCCC1 ZINC000005865108 568826819 /nfs/dbraw/zinc/82/68/19/568826819.db2.gz ZORRRFTUOXIUED-LBPRGKRZSA-N 0 0 419.507 4.128 50 5 HIBARN O=C1N/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)C(=O)N1Cc1ccc(F)cc1 ZINC000003003965 568836886 /nfs/dbraw/zinc/83/68/86/568836886.db2.gz VKBLOPGWNGUKBE-BOPFTXTBSA-N 0 0 407.357 4.087 50 5 HIBARN O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2ccc(O)cc2o/c1=N\Nc1ccccc1 ZINC000012467361 568838073 /nfs/dbraw/zinc/83/80/73/568838073.db2.gz UGHUEUXIOPSYKN-LVWGJNHUSA-N 0 0 416.393 4.227 50 5 HIBARN Cc1cccc(N[C@H](NC(=O)c2cccc([N+](=O)[O-])c2)C(Cl)(Cl)Cl)c1 ZINC000003118669 568856112 /nfs/dbraw/zinc/85/61/12/568856112.db2.gz IYGLLOYXTDRWBF-OAHLLOKOSA-N 0 0 402.665 4.441 50 5 HIBARN CCNc1ccc(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)cc1[N+](=O)[O-] ZINC000012564652 568859761 /nfs/dbraw/zinc/85/97/61/568859761.db2.gz UZELLXAXYJIPSK-GOSISDBHSA-N 0 0 411.458 4.165 50 5 HIBARN O=C(Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)c1ccccc1[N+](=O)[O-] ZINC000003237239 568865745 /nfs/dbraw/zinc/86/57/45/568865745.db2.gz XUKALFNGEINNCT-UHFFFAOYSA-N 0 0 408.254 4.159 50 5 HIBARN O=C(COC(=O)c1cccc(Cl)c1Cl)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000003239008 568865892 /nfs/dbraw/zinc/86/58/92/568865892.db2.gz AJMBIHRJYDEUGJ-UHFFFAOYSA-N 0 0 403.605 4.351 50 5 HIBARN O=C(COC(=O)CCSc1ccc(Cl)cc1)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000003240826 568866300 /nfs/dbraw/zinc/86/63/00/568866300.db2.gz WMFSYZHNCCSRDN-UHFFFAOYSA-N 0 0 412.826 4.051 50 5 HIBARN Cc1cccc(N2CCN(C(=O)c3ccc(N4CCC[C@H](C)C4)c([N+](=O)[O-])c3)CC2)c1 ZINC000012616109 568872011 /nfs/dbraw/zinc/87/20/11/568872011.db2.gz FQVYNMPQKALOKM-IBGZPJMESA-N 0 0 422.529 4.102 50 5 HIBARN CCc1cc(NC2CCN(C(=O)CC(C)C)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000058003133 568873761 /nfs/dbraw/zinc/87/37/61/568873761.db2.gz NBIJLYAQHYOXTF-UHFFFAOYSA-N 0 0 411.506 4.063 50 5 HIBARN COc1ccc(C(C)(C)C)cc1NC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000003312582 568878713 /nfs/dbraw/zinc/87/87/13/568878713.db2.gz WLELWPGKCPWZNR-UHFFFAOYSA-N 0 0 420.849 4.350 50 5 HIBARN COc1cc2ccc3c(CCN(C)C(=O)C4CC4)cc(OC)c(OC)c3c2cc1OC ZINC000263586491 568879173 /nfs/dbraw/zinc/87/91/73/568879173.db2.gz UZJOMIZFIZQYPX-UHFFFAOYSA-N 0 0 423.509 4.438 50 5 HIBARN C[C@H](Oc1ncnc2cc([N+](=O)[O-])ccc21)C(=O)Nc1cccc(Cl)c1Cl ZINC000003361835 568888116 /nfs/dbraw/zinc/88/81/16/568888116.db2.gz YHTWBTCYBJANCX-VIFPVBQESA-N 0 0 407.213 4.251 50 5 HIBARN COc1ccc([N+](=O)[O-])cc1NC(=O)CSc1ccc(Br)cc1C ZINC000003441268 568903832 /nfs/dbraw/zinc/90/38/32/568903832.db2.gz GDNCXFVPIQWAPD-UHFFFAOYSA-N 0 0 411.277 4.405 50 5 HIBARN O=C(CSc1ncnc2ccccc21)Nc1ccc([N+](=O)[O-])cc1Br ZINC000012654202 568906729 /nfs/dbraw/zinc/90/67/29/568906729.db2.gz YCKJOAVWNPYGGO-UHFFFAOYSA-N 0 0 419.260 4.031 50 5 HIBARN Cc1cc2nnc(SCC(=O)Nc3cccc([N+](=O)[O-])c3C)n2c2ccccc12 ZINC000003495883 568909672 /nfs/dbraw/zinc/90/96/72/568909672.db2.gz DAURPIGPVMNKMD-UHFFFAOYSA-N 0 0 407.455 4.138 50 5 HIBARN CNc1ccc([C@H]2Nc3ccccc3C(=O)N2c2cccc(OC)c2)cc1[N+](=O)[O-] ZINC000058366208 568914117 /nfs/dbraw/zinc/91/41/17/568914117.db2.gz IZGBKRAOFXLXTM-NRFANRHFSA-N 0 0 404.426 4.416 50 5 HIBARN CC(C)(C)OC(=O)CSc1nnc(-c2ccc([N+](=O)[O-])cc2)n1-c1ccccc1 ZINC000004145394 568916433 /nfs/dbraw/zinc/91/64/33/568916433.db2.gz CUNKRIGNUFXFHA-UHFFFAOYSA-N 0 0 412.471 4.276 50 5 HIBARN O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)F)ccc1N1CCC[C@H]1c1cccc(F)c1 ZINC000058420806 568917850 /nfs/dbraw/zinc/91/78/50/568917850.db2.gz IICFKEKAZICONC-AWEZNQCLSA-N 0 0 418.368 4.369 50 5 HIBARN C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N[C@H]3CCOc4ccccc43)cc2[N+](=O)[O-])C1 ZINC000058850878 568930126 /nfs/dbraw/zinc/93/01/26/568930126.db2.gz XECNOKOLCLYDMH-FCEWJHQRSA-N 0 0 409.486 4.331 50 5 HIBARN Cc1cccc([N+](=O)[O-])c1NC(=O)CSc1nc2ccccc2c(NC2CC2)n1 ZINC000031784277 568931171 /nfs/dbraw/zinc/93/11/71/568931171.db2.gz FOILLOYEJSUWIS-UHFFFAOYSA-N 0 0 409.471 4.152 50 5 HIBARN CCOc1cc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)ccc1OC ZINC000001417358 568935102 /nfs/dbraw/zinc/93/51/02/568935102.db2.gz HKOPTWRSJKTQOI-WOJGMQOQSA-N 0 0 414.439 4.239 50 5 HIBARN O=C(NC[C@@H](O)c1ccccc1)c1cc([N+](=O)[O-])cc2c1C=Cc1ccccc1O2 ZINC000001426749 568939223 /nfs/dbraw/zinc/93/92/23/568939223.db2.gz PAODHJAHSLKMKE-HXUWFJFHSA-N 0 0 402.406 4.334 50 5 HIBARN O=C(COc1ccc([N+](=O)[O-])cc1)Nc1cc(C(F)(F)F)ccc1N1CCCC1 ZINC000004109796 568942613 /nfs/dbraw/zinc/94/26/13/568942613.db2.gz UOHPAIXVFRCTSA-UHFFFAOYSA-N 0 0 409.364 4.231 50 5 HIBARN O=C(c1ccc(C(F)(F)F)cc1)N1CCN=C1SCc1ccc([N+](=O)[O-])cc1 ZINC000004120117 568944723 /nfs/dbraw/zinc/94/47/23/568944723.db2.gz QDQJZVKUBFCLGT-UHFFFAOYSA-N 0 0 409.389 4.359 50 5 HIBARN O=C(C[C@H]1Sc2ccc(C(F)(F)F)cc2NC1=O)Nc1ccccc1[N+](=O)[O-] ZINC000004163318 568947308 /nfs/dbraw/zinc/94/73/08/568947308.db2.gz QVHRBTTUEKJHPI-CQSZACIVSA-N 0 0 411.361 4.055 50 5 HIBARN O=C(Cn1c2ccccc2nc1NCc1ccccc1)Nc1cccc([N+](=O)[O-])c1 ZINC000007989858 568966675 /nfs/dbraw/zinc/96/66/75/568966675.db2.gz VSNXPRCFXIPFQV-UHFFFAOYSA-N 0 0 401.426 4.195 50 5 HIBARN C[C@@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(Cc2ccc(-c3ccccc3)cc2)C1=O ZINC000004307580 568977859 /nfs/dbraw/zinc/97/78/59/568977859.db2.gz ICWCCGBYKJFJIB-QHCPKHFHSA-N 0 0 401.422 4.229 50 5 HIBARN C[C@@H]1CCc2c(C(=O)OCC(=O)Nc3cc(Cl)ccc3[N+](=O)[O-])csc2C1 ZINC000006052518 568988293 /nfs/dbraw/zinc/98/82/93/568988293.db2.gz LAEGRQWFKAOYLG-SNVBAGLBSA-N 0 0 408.863 4.230 50 5 HIBARN O=[N+]([O-])c1cc2c(c([N+](=O)[O-])c1)-c1c(cc([N+](=O)[O-])cc1[N+](=O)[O-])C2=Cc1ccco1 ZINC000008425348 569001812 /nfs/dbraw/zinc/00/18/12/569001812.db2.gz UNFINCYLZQCZES-UHFFFAOYSA-N 0 0 424.281 4.482 50 5 HIBARN O=C1OC(c2ccco2)=N/C1=C\c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000008435024 569002924 /nfs/dbraw/zinc/00/29/24/569002924.db2.gz HZJWPVWIMHFPQX-GDNBJRDFSA-N 0 0 421.321 4.233 50 5 HIBARN Cc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000015828413 569011667 /nfs/dbraw/zinc/01/16/67/569011667.db2.gz RNXAUPUONSBGQL-UHFFFAOYSA-N 0 0 402.410 4.464 50 5 HIBARN C[C@H]1C[C@H](C)CN(Cc2csc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)n2)C1 ZINC000012938534 569028007 /nfs/dbraw/zinc/02/80/07/569028007.db2.gz AGSGZWHQVODXDN-RYUDHWBXSA-N 0 0 408.911 4.435 50 5 HIBARN C[C@@H]1C[C@@H](C)CN(Cc2csc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)n2)C1 ZINC000012938516 569028010 /nfs/dbraw/zinc/02/80/10/569028010.db2.gz AGSGZWHQVODXDN-VXGBXAGGSA-N 0 0 408.911 4.435 50 5 HIBARN CCc1ccc(-n2nc3cc(C)c(NC(=O)c4ccccc4[N+](=O)[O-])cc3n2)cc1 ZINC000016162140 569029531 /nfs/dbraw/zinc/02/95/31/569029531.db2.gz GMEYWYHYDALFJP-UHFFFAOYSA-N 0 0 401.426 4.452 50 5 HIBARN O=C(CCCCCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)Nc1ccccc1Cl ZINC000001807640 569053557 /nfs/dbraw/zinc/05/35/57/569053557.db2.gz PIUKYSBDLJDZPV-UHFFFAOYSA-N 0 0 415.833 4.043 50 5 HIBARN CCCOc1ccc(/C=C2\N=C(c3ccc([N+](=O)[O-])cc3Cl)OC2=O)cc1OC ZINC000001813824 569056185 /nfs/dbraw/zinc/05/61/85/569056185.db2.gz CMQUZQUVDNGHKK-SXGWCWSVSA-N 0 0 416.817 4.390 50 5 HIBARN C[C@@H](OC(=O)c1ccc2ncsc2c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000006627464 569076046 /nfs/dbraw/zinc/07/60/46/569076046.db2.gz NXFTZFYMRYVUFL-SECBINFHSA-N 0 0 405.819 4.042 50 5 HIBARN Cc1ccc(N(Cc2ccc(F)cc2)S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000036247489 569116989 /nfs/dbraw/zinc/11/69/89/569116989.db2.gz DVKNCBAIFSATIN-UHFFFAOYSA-N 0 0 400.431 4.438 50 5 HIBARN COc1ccc(N(Cc2ccccc2F)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000036247597 569117017 /nfs/dbraw/zinc/11/70/17/569117017.db2.gz BCIDLLWUYDAWSD-UHFFFAOYSA-N 0 0 416.430 4.138 50 5 HIBARN O=C(c1ccc([N+](=O)[O-])cc1)N1CCC[C@H](OCc2cccc(OC(F)(F)F)c2)C1 ZINC000036315467 569134837 /nfs/dbraw/zinc/13/48/37/569134837.db2.gz JYDUYCWWTRKPHX-SFHVURJKSA-N 0 0 424.375 4.315 50 5 HIBARN Cn1c2ccccc2nc1-c1c(N)n(C(=O)c2ccccc2)c2cc([N+](=O)[O-])ccc21 ZINC000006962304 569190799 /nfs/dbraw/zinc/19/07/99/569190799.db2.gz IGAPULSUJBBTBJ-UHFFFAOYSA-N 0 0 411.421 4.374 50 5 HIBARN Cc1ccc(Cl)c(OC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)c1 ZINC000013137352 569211571 /nfs/dbraw/zinc/21/15/71/569211571.db2.gz QSDUICWNIWBQPP-UHFFFAOYSA-N 0 0 404.835 4.056 50 5 HIBARN O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2)ccc1NCc1ccc(F)cc1 ZINC000007166364 569227023 /nfs/dbraw/zinc/22/70/23/569227023.db2.gz MGTSWGVUVCCFGF-UHFFFAOYSA-N 0 0 401.419 4.147 50 5 HIBARN CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N[C@@H]2C[C@H]2c2c(F)cccc2F)CC1 ZINC000170629088 569250800 /nfs/dbraw/zinc/25/08/00/569250800.db2.gz NTHZYBBBROFBDE-DNVCBOLYSA-N 0 0 415.440 4.395 50 5 HIBARN Cc1cc(C)n(CCCNC(=O)c2ccc(Sc3ccccc3)c([N+](=O)[O-])c2)n1 ZINC000010217247 569253555 /nfs/dbraw/zinc/25/35/55/569253555.db2.gz MPXGCFNHSXQCFI-UHFFFAOYSA-N 0 0 410.499 4.379 50 5 HIBARN COc1cc([N+](=O)[O-])ccc1NC(=O)Nc1c(C)nn(Cc2cccc(C)c2)c1C ZINC000013331645 569255246 /nfs/dbraw/zinc/25/52/46/569255246.db2.gz RLDPBKSYSHUVBP-UHFFFAOYSA-N 0 0 409.446 4.417 50 5 HIBARN Cc1ccc(NC(=O)CSc2nnc(Nc3ccccc3)s2)cc1[N+](=O)[O-] ZINC000089652157 569261819 /nfs/dbraw/zinc/26/18/19/569261819.db2.gz MABPMBUBSHZNOJ-UHFFFAOYSA-N 0 0 401.473 4.229 50 5 HIBARN COP(=O)(OC)c1nc(-c2cccc([N+](=O)[O-])c2)oc1NCc1ccc(F)cc1 ZINC000016749971 569262339 /nfs/dbraw/zinc/26/23/39/569262339.db2.gz BQZRIJSHIGHAGB-UHFFFAOYSA-N 0 0 421.321 4.112 50 5 HIBARN COc1ccc(OC)c(Nc2nc(N)c([N+](=O)[O-])c(Nc3cccc(Cl)c3)n2)c1 ZINC000017208129 569276577 /nfs/dbraw/zinc/27/65/77/569276577.db2.gz VEUZICJJKJKFCE-UHFFFAOYSA-N 0 0 416.825 4.125 50 5 HIBARN O=C1S/C(=C/c2ccc(Cl)c([N+](=O)[O-])c2)C(=O)N1Cc1cccc([N+](=O)[O-])c1 ZINC000017299806 569279648 /nfs/dbraw/zinc/27/96/48/569279648.db2.gz UICNNHSXURRKFJ-OVCLIPMQSA-N 0 0 419.802 4.393 50 5 HIBARN CC(C)Cn1c(=O)c2c(=O)c3ccccc3sc2nc1-c1ccc([N+](=O)[O-])cc1 ZINC000002204629 569296190 /nfs/dbraw/zinc/29/61/90/569296190.db2.gz ZZQDXFUAXSZOLJ-UHFFFAOYSA-N 0 0 407.451 4.203 50 5 HIBARN C[C@H](OC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000195529221 569312021 /nfs/dbraw/zinc/31/20/21/569312021.db2.gz ULPZTYOBUTUAEV-LDDOYCOJSA-N 0 0 414.458 4.341 50 5 HIBARN Cc1ccc(Cn2cnc3c(c4nc5ccccc5nc4n3Cc3ccco3)c2=O)cc1 ZINC000002247745 569324326 /nfs/dbraw/zinc/32/43/26/569324326.db2.gz FKFZIFNGONKGKY-UHFFFAOYSA-N 0 0 421.460 4.292 50 5 HIBARN O=C(OC1CCCCC1)c1c2nc3ccccc3nc2n2c1[nH]c(=O)c1ccccc12 ZINC000011692075 569363707 /nfs/dbraw/zinc/36/37/07/569363707.db2.gz IYEZKJUPOMFSPJ-UHFFFAOYSA-N 0 0 412.449 4.367 50 5 HIBARN O=C(Nn1c(=O)c2ccccc2nc1-c1cccc(Cl)c1)c1ccc([N+](=O)[O-])cc1 ZINC000027527480 569363885 /nfs/dbraw/zinc/36/38/85/569363885.db2.gz LTTIPSYQYCDSHS-UHFFFAOYSA-N 0 0 420.812 4.009 50 5 HIBARN O=C(Nc1ccc([N+](=O)[O-])cc1)/C(=C/c1ccc(Cl)cc1)NC(=O)c1ccco1 ZINC000027528357 569364245 /nfs/dbraw/zinc/36/42/45/569364245.db2.gz ITZLVROARIAEJX-ATVHPVEESA-N 0 0 411.801 4.251 50 5 HIBARN Cc1cc(S(=O)(=O)Nc2cc(Cl)ccc2Br)ccc1[N+](=O)[O-] ZINC000253419749 569367801 /nfs/dbraw/zinc/36/78/01/569367801.db2.gz SBLQNUPAFVBTMZ-UHFFFAOYSA-N 0 0 405.657 4.120 50 5 HIBARN CCCC[C@@H](CC)C(=O)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000002313478 569373328 /nfs/dbraw/zinc/37/33/28/569373328.db2.gz XOXOAWQLCZZHHB-GFCCVEGCSA-N 0 0 411.505 4.039 50 5 HIBARN CCCCn1cnc2c(c3nc4ccccc4nc3n2Cc2ccc(OC)cc2)c1=O ZINC000002332669 569375865 /nfs/dbraw/zinc/37/58/65/569375865.db2.gz IALRHZCVJDDRRT-UHFFFAOYSA-N 0 0 413.481 4.151 50 5 HIBARN Cc1ccc(-c2nc3c(c(=O)c4ccccc4n3C)c(=O)n2-c2ccc(F)cc2)cc1 ZINC000002346999 569379393 /nfs/dbraw/zinc/37/93/93/569379393.db2.gz OSDCODWZFFVSHS-UHFFFAOYSA-N 0 0 411.436 4.352 50 5 HIBARN O=C(Nc1cccc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c1)c1ccco1 ZINC000009190303 569391636 /nfs/dbraw/zinc/39/16/36/569391636.db2.gz YYFYIAITEMBBCA-UHFFFAOYSA-N 0 0 420.425 4.293 50 5 HIBARN Cc1cc(NC(=O)COc2ccc([N+](=O)[O-])cc2)cc(-c2nc3ccccc3o2)c1O ZINC000009303501 569392251 /nfs/dbraw/zinc/39/22/51/569392251.db2.gz HINXTXPBELYVSO-UHFFFAOYSA-N 0 0 419.393 4.435 50 5 HIBARN CCOc1ccc2nc(SCC(=O)Nc3ccc(OC)cc3[N+](=O)[O-])sc2c1 ZINC000009970944 569394670 /nfs/dbraw/zinc/39/46/70/569394670.db2.gz XCKGGSWTKSGEIX-UHFFFAOYSA-N 0 0 419.484 4.343 50 5 HIBARN CCCCCn1cnc2c(c3nc4ccccc4nc3n2-c2cccc(OC)c2)c1=O ZINC000002399978 569394968 /nfs/dbraw/zinc/39/49/68/569394968.db2.gz UBOVCMAQKGNTGR-UHFFFAOYSA-N 0 0 413.481 4.482 50 5 HIBARN CC[C@H](C)n1cnc2c(c3nc4ccccc4nc3n2Cc2ccc(OC)cc2)c1=O ZINC000002422809 569398302 /nfs/dbraw/zinc/39/83/02/569398302.db2.gz BRIVLQZOUPGFGF-HNNXBMFYSA-N 0 0 413.481 4.322 50 5 HIBARN CCCCCCn1cnc2c(c3nc4ccccc4nc3n2C[C@H]2CCCO2)c1=O ZINC000002423779 569398316 /nfs/dbraw/zinc/39/83/16/569398316.db2.gz FRZMKAMCBIGNLE-MRXNPFEDSA-N 0 0 405.502 4.054 50 5 HIBARN CSC1=N/C(=C\c2ccc([N+](=O)[O-])s2)C(=O)N1CCOc1ccc(Cl)cc1 ZINC000012368148 569400427 /nfs/dbraw/zinc/40/04/27/569400427.db2.gz RHZVQKNTYKQHJS-UVTDQMKNSA-N 0 0 423.903 4.291 50 5 HIBARN O=C(c1ccccc1)N1C[C@@H](COc2ccccc2)O[C@H](c2cccc([N+](=O)[O-])c2)O1 ZINC000012375888 569400533 /nfs/dbraw/zinc/40/05/33/569400533.db2.gz WRNXVIGVCCGWAI-GMAHTHKFSA-N 0 0 420.421 4.145 50 5 HIBARN C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1 ZINC000007949558 569403044 /nfs/dbraw/zinc/40/30/44/569403044.db2.gz TVYXYIYENRSESV-SJLPKXTDSA-N 0 0 410.474 4.058 50 5 HIBARN Cc1csc(Sc2ccc([N+](=O)[O-])cc2C(=O)OCC(=O)OC(C)(C)C)n1 ZINC000012796123 569403468 /nfs/dbraw/zinc/40/34/68/569403468.db2.gz ATKABLGSQCQBHD-UHFFFAOYSA-N 0 0 410.473 4.009 50 5 HIBARN CN(C(=O)CN1CCc2sccc2[C@@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000012792533 569403553 /nfs/dbraw/zinc/40/35/53/569403553.db2.gz ICAIXDSKADCRIX-QFIPXVFZSA-N 0 0 407.495 4.267 50 5 HIBARN COc1ccc(S(=O)(=O)N[C@H](c2cccs2)c2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000012977609 569405720 /nfs/dbraw/zinc/40/57/20/569405720.db2.gz FSADRTOGFAJDDC-IBGZPJMESA-N 0 0 418.496 4.041 50 5 HIBARN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](c1cccs1)c1ccc(F)cc1 ZINC000012993369 569406034 /nfs/dbraw/zinc/40/60/34/569406034.db2.gz PXEXOSWFLKXKQI-GOSISDBHSA-N 0 0 406.460 4.172 50 5 HIBARN C[C@@H](OC(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000013070973 569408517 /nfs/dbraw/zinc/40/85/17/569408517.db2.gz CCUWNPFUNZCABM-SECBINFHSA-N 0 0 416.739 4.451 50 5 HIBARN O=C(c1cccc([N+](=O)[O-])c1)N1CC(=O)Nc2ccc(Cl)cc2[C@H]1c1ccccc1 ZINC000013375920 569413150 /nfs/dbraw/zinc/41/31/50/569413150.db2.gz BJBGMULYKHNDEH-OAQYLSRUSA-N 0 0 421.840 4.432 50 5 HIBARN O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)OCc1ccccc1C(F)(F)F ZINC000019431107 569420821 /nfs/dbraw/zinc/42/08/21/569420821.db2.gz NYRITFVNGMOHLA-UHFFFAOYSA-N 0 0 424.331 4.045 50 5 HIBARN Cc1c(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000019759135 569429489 /nfs/dbraw/zinc/42/94/89/569429489.db2.gz ILSGLDGCKFZOHZ-UHFFFAOYSA-N 0 0 415.493 4.451 50 5 HIBARN CC(C)(COC(=O)c1ccc([N+](=O)[O-])o1)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000008626660 571096514 /nfs/dbraw/zinc/09/65/14/571096514.db2.gz XJYFJRVQTYPQNB-UHFFFAOYSA-N 0 0 417.296 4.162 50 5 HIBARN COc1cc(/C=C/c2cc(OC(C)=O)c3ccccc3n2)c(OC(C)=O)c([N+](=O)[O-])c1 ZINC000008670888 571100407 /nfs/dbraw/zinc/10/04/07/571100407.db2.gz ULCXTEUAQBVMFX-CMDGGOBGSA-N 0 0 422.393 4.173 50 5 HIBARN Cc1c(C(=O)Nc2nccs2)c2ccccn2c1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000008716931 571105065 /nfs/dbraw/zinc/10/50/65/571105065.db2.gz JIWDAPZJNYGEKN-UHFFFAOYSA-N 0 0 406.423 4.096 50 5 HIBARN O=C1N[C@H](c2ccccc2[N+](=O)[O-])Nc2sc3c(c21)CCN(Cc1ccccc1)C3 ZINC000008721980 571107163 /nfs/dbraw/zinc/10/71/63/571107163.db2.gz GFBZMNYZSPNYEK-FQEVSTJZSA-N 0 0 420.494 4.069 50 5 HIBARN O=C(Nc1nnc(CSCc2ccc(F)cc2)s1)c1ccc([N+](=O)[O-])cc1 ZINC000008738939 571109094 /nfs/dbraw/zinc/10/90/94/571109094.db2.gz VUKCVBVYASEDAQ-UHFFFAOYSA-N 0 0 404.448 4.271 50 5 HIBARN COc1ccc(Br)cc1CN(C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000040095092 571162012 /nfs/dbraw/zinc/16/20/12/571162012.db2.gz AQMJREVYPNOYDS-UHFFFAOYSA-N 0 0 424.251 4.038 50 5 HIBARN CCCCCOc1ccc([C@H](C)NC(=O)c2cc([N+](=O)[O-])cnc2C)cc1OC ZINC000040121752 571177786 /nfs/dbraw/zinc/17/77/86/571177786.db2.gz UOEFJVOYUFYERX-AWEZNQCLSA-N 0 0 401.463 4.367 50 5 HIBARN C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N[C@H]3CCOc4ccccc43)cc2[N+](=O)[O-])C1 ZINC000245237797 571219609 /nfs/dbraw/zinc/21/96/09/571219609.db2.gz XECNOKOLCLYDMH-MDZRGWNJSA-N 0 0 409.486 4.331 50 5 HIBARN O=[N+]([O-])c1ccc2c(c1)N(S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)CC2 ZINC000009366413 571252012 /nfs/dbraw/zinc/25/20/12/571252012.db2.gz FYKFWFUVBYLANN-UHFFFAOYSA-N 0 0 406.769 4.018 50 5 HIBARN CC1=C(C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H](c2cccc(Cl)c2Cl)NC(=O)N1 ZINC000009373100 571252553 /nfs/dbraw/zinc/25/25/53/571252553.db2.gz HGOBSLJNMZFRKJ-MRXNPFEDSA-N 0 0 421.240 4.168 50 5 HIBARN Cc1[nH]nc2c1[C@@H](c1ccccc1[N+](=O)[O-])N(c1ccc(Br)cc1)C2=O ZINC000009424391 571257671 /nfs/dbraw/zinc/25/76/71/571257671.db2.gz OXFMEIAEOOSEJF-QGZVFWFLSA-N 0 0 413.231 4.139 50 5 HIBARN CC(C)c1ccc(-n2nnnc2SCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000009499131 571263343 /nfs/dbraw/zinc/26/33/43/571263343.db2.gz KNZXLXCXQWATEU-UHFFFAOYSA-N 0 0 423.458 4.036 50 5 HIBARN O=C(Cn1c2ccccc2nc1NCc1ccccc1)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000009670547 571278574 /nfs/dbraw/zinc/27/85/74/571278574.db2.gz KYKVRIPARNIJFS-UHFFFAOYSA-N 0 0 419.416 4.334 50 5 HIBARN O=C(CSc1ccc(-c2ccc(-n3ccnc3)cc2)nn1)c1ccc([N+](=O)[O-])cc1 ZINC000009712912 571281292 /nfs/dbraw/zinc/28/12/92/571281292.db2.gz WFHZJMGDDDBVNU-UHFFFAOYSA-N 0 0 417.450 4.213 50 5 HIBARN Cc1ccc(CN(C)C(=O)NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000009878542 571289383 /nfs/dbraw/zinc/28/93/83/571289383.db2.gz VDPGILDOAMTCSV-UHFFFAOYSA-N 0 0 410.396 4.176 50 5 HIBARN O=C(Nc1cc(Cl)ccc1Cl)c1cccn(Cc2cccc([N+](=O)[O-])c2)c1=O ZINC000010187814 571296180 /nfs/dbraw/zinc/29/61/80/571296180.db2.gz XBKVJRYMLUETPC-UHFFFAOYSA-N 0 0 418.236 4.364 50 5 HIBARN Cc1cc([N+](=O)[O-])ccc1NC(=O)c1ccc(=O)n(Cc2c(F)cccc2Cl)c1 ZINC000010187874 571296210 /nfs/dbraw/zinc/29/62/10/571296210.db2.gz HJGYGOBJRHQEMH-UHFFFAOYSA-N 0 0 415.808 4.158 50 5 HIBARN O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(=O)n(Cc2cccc([N+](=O)[O-])c2)c1 ZINC000010187933 571296228 /nfs/dbraw/zinc/29/62/28/571296228.db2.gz NRXATNFQMHAAKN-UHFFFAOYSA-N 0 0 417.343 4.076 50 5 HIBARN O=C(Oc1ccc(Cl)cc1)c1ccccc1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000001136571 845002746 /nfs/dbraw/zinc/00/27/46/845002746.db2.gz KUGBVALEXXNEDS-UHFFFAOYSA-N 0 0 417.826 4.300 50 5 HIBARN C[C@H](OC(=O)/C=C/c1ccc(C(F)(F)F)cc1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000004779004 845065242 /nfs/dbraw/zinc/06/52/42/845065242.db2.gz NRVOAFSXOUSRNI-OBIHZWKSSA-N 0 0 408.332 4.197 50 5 HIBARN O=C1Nc2ccc([N+](=O)[O-])cc2NC(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@@H]12 ZINC000005948363 845153292 /nfs/dbraw/zinc/15/32/92/845153292.db2.gz RRBANWVOPAFHKV-LIKPIUCQSA-N 0 0 411.417 4.009 50 5 HIBARN Cc1cc(C2=N/C(=C/C=C3\N(C)c4ccccc4C3(C)C)C(=O)O2)ccc1[N+](=O)[O-] ZINC000007777532 845411748 /nfs/dbraw/zinc/41/17/48/845411748.db2.gz WVMYAPXLRIZJMT-JWYRHVKLSA-N 0 0 403.438 4.402 50 5 HIBARN O=C(Oc1ccccc1)Oc1c(Br)cc2oc(=O)sc2c1[N+](=O)[O-] ZINC000027522837 847316605 /nfs/dbraw/zinc/31/66/05/847316605.db2.gz JXDACGBKUTUCCR-UHFFFAOYSA-N 0 0 412.173 4.103 50 5 HIBARN COc1cccc([C@H](OC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)C(C)(C)C)c1 ZINC000084169180 852545116 /nfs/dbraw/zinc/54/51/16/852545116.db2.gz DINAMBKQRAQYBM-IBGZPJMESA-N 0 0 410.430 4.128 50 5 HIBARN O=C(/C=C\c1ccccc1[N+](=O)[O-])Nc1ccc(-c2nnc3n2CCCCC3)cc1 ZINC000097674656 852646958 /nfs/dbraw/zinc/64/69/58/852646958.db2.gz LWJLUPLNHPDVFV-KAMYIIQDSA-N 0 0 403.442 4.232 50 5 HIBARN CCOc1ccccc1/C=C\C(=O)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000096544636 132227271 /nfs/dbraw/zinc/22/72/71/132227271.db2.gz ZHPPHXURYGUNOH-YFHOEESVSA-N 0 0 415.877 4.009 50 5 HIBARN O=C(c1cc(F)c(F)cc1Cl)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000004045598 132270032 /nfs/dbraw/zinc/27/00/32/132270032.db2.gz VNGDJFNYLIFVBY-UHFFFAOYSA-N 0 0 416.211 4.142 50 5 HIBARN Cc1ccc(-c2ccc(C(=O)Nc3ccccc3N3CCOCC3)o2)c([N+](=O)[O-])c1 ZINC000004746921 132287071 /nfs/dbraw/zinc/28/70/71/132287071.db2.gz SBYTUEFYUSJMSF-UHFFFAOYSA-N 0 0 407.426 4.252 50 5 HIBARN Nc1nc(N2CCC(Cc3ccccc3)CC2)nc(NC2CCCCC2)c1[N+](=O)[O-] ZINC000005030065 132298914 /nfs/dbraw/zinc/29/89/14/132298914.db2.gz NZIISYYTZAFCFC-UHFFFAOYSA-N 0 0 410.522 4.171 50 5 HIBARN O=C(c1ccc(-c2cccc(Cl)c2)o1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000005062918 132300122 /nfs/dbraw/zinc/30/01/22/132300122.db2.gz CXARFMJANQCVPK-UHFFFAOYSA-N 0 0 411.845 4.471 50 5 aggregator HIBARN O=C(Nc1ccccc1Oc1ccccc1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000005842714 132308201 /nfs/dbraw/zinc/30/82/01/132308201.db2.gz GTFNCXSJHMYFIR-UHFFFAOYSA-N 0 0 419.437 4.476 50 5 HIBARN Cc1nc2ccc(Cl)cc2cc1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000010134331 132345408 /nfs/dbraw/zinc/34/54/08/132345408.db2.gz LDGGZEUXULZOLK-UHFFFAOYSA-N 0 0 410.861 4.067 50 5 HIBARN O=[N+]([O-])c1cc(Cl)ccc1N1CCN(Cc2cc(Cl)cc3c2OCOC3)CC1 ZINC000012538632 132362370 /nfs/dbraw/zinc/36/23/70/132362370.db2.gz UAVXVJOOPAIMHC-UHFFFAOYSA-N 0 0 424.284 4.090 50 5 HIBARN CC(C)OC(=O)C[C@H](NC(=O)N1CCCc2ccccc21)c1ccccc1[N+](=O)[O-] ZINC000012568253 132364417 /nfs/dbraw/zinc/36/44/17/132364417.db2.gz QEALNXIJMOLQFB-SFHVURJKSA-N 0 0 411.458 4.140 50 5 HIBARN C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)OCC(=O)c3ccc(F)cc3)cc2[N+](=O)[O-])C1 ZINC000012653268 132365883 /nfs/dbraw/zinc/36/58/83/132365883.db2.gz PVSJUGSOUOULES-GASCZTMLSA-N 0 0 414.433 4.256 50 5 HIBARN Cc1oc(C)c(C(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)c1C ZINC000025378605 132486467 /nfs/dbraw/zinc/48/64/67/132486467.db2.gz PMOPKRFJIOEOGS-UHFFFAOYSA-N 0 0 411.380 4.094 50 5 HIBARN O=C(CSc1nc2ccccc2c(=O)n1-c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000019798531 527060760 /nfs/dbraw/zinc/06/07/60/527060760.db2.gz IBKYNKBWXGAHEY-UHFFFAOYSA-N 0 0 417.446 4.269 50 5 HIBARN CC(C)=C[C@H]1[C@H](C(=O)N2CCN(c3ccc([N+](=O)[O-])c4cnccc43)CC2)C1(C)C ZINC000012558125 535371972 /nfs/dbraw/zinc/37/19/72/535371972.db2.gz LHZAUAYQSLJURN-GHTZIAJQSA-N 0 0 408.502 4.030 50 5 HIBARN CCOc1cc2ccccc2cc1C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000012554325 535691562 /nfs/dbraw/zinc/69/15/62/535691562.db2.gz OTCCKAJOCHBITL-UHFFFAOYSA-N 0 0 405.454 4.109 50 5 HIBARN COc1ccc(Cl)cc1CN(C)C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000009931933 536553194 /nfs/dbraw/zinc/55/31/94/536553194.db2.gz QEKRDMXZTUNSTP-UHFFFAOYSA-N 0 0 417.893 4.132 50 5 HIBARN Cc1ccc(C(=O)NC[C@@H](c2cccs2)N2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000022907851 557850691 /nfs/dbraw/zinc/85/06/91/557850691.db2.gz BOYLHIUJXOOFKN-NRFANRHFSA-N 0 0 421.522 4.494 50 5 HIBARN C[C@@H]([NH2+]Cc1ccc(Sc2ccc(Br)cc2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000004336034 558262138 /nfs/dbraw/zinc/26/21/38/558262138.db2.gz LHGLISWQNAPAER-SNVBAGLBSA-N 0 0 411.277 4.071 50 5 HIBARN CC(C)[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C(=O)c2cccc3cccc(c32)C1=O ZINC000004338268 558262157 /nfs/dbraw/zinc/26/21/57/558262157.db2.gz CPRNUWATQQSHTL-HXUWFJFHSA-N 0 0 417.421 4.007 50 5 HIBARN CCOc1ccc(-c2ccc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)nn2)cc1 ZINC000004355967 558443413 /nfs/dbraw/zinc/44/34/13/558443413.db2.gz ZDBUBYHJOMUJOD-UHFFFAOYSA-N 0 0 410.455 4.181 50 5 HIBARN C[C@@H](NC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1)c1ccccc1Cl ZINC000013137582 558521524 /nfs/dbraw/zinc/52/15/24/558521524.db2.gz ONYQTFMHAUBPCF-LLVKDONJSA-N 0 0 417.878 4.019 50 5 HIBARN COc1cc(C(=O)N2CCC(CCc3ccc(C)cc3)CC2)c([N+](=O)[O-])cc1OC ZINC000010914846 558562162 /nfs/dbraw/zinc/56/21/62/558562162.db2.gz NOYDPORHKWPJAR-UHFFFAOYSA-N 0 0 412.486 4.405 50 5 HIBARN COc1ccc(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1OC(F)F ZINC000024746178 558609592 /nfs/dbraw/zinc/60/95/92/558609592.db2.gz HLVPXQHSWDGXAS-UHFFFAOYSA-N 0 0 424.403 4.403 50 5 HIBARN O=[N+]([O-])c1cccc([C@H]2SCCN2S(=O)(=O)c2cccc3ccccc32)c1 ZINC000004539331 558654899 /nfs/dbraw/zinc/65/48/99/558654899.db2.gz ZQDJSRZDORTGEZ-LJQANCHMSA-N 0 0 400.481 4.184 50 5 HIBARN Cc1ccc(NC(=O)Cn2c3ccccc3c(=O)c3cc([N+](=O)[O-])ccc32)cc1F ZINC000027533672 558674272 /nfs/dbraw/zinc/67/42/72/558674272.db2.gz PZXMIBRSQWHBNM-UHFFFAOYSA-N 0 0 405.385 4.149 50 5 HIBARN O=C(NC(=S)Nc1ccc([N+](=O)[O-])cc1Cl)c1cccc(Br)c1 ZINC000015822041 558754697 /nfs/dbraw/zinc/75/46/97/558754697.db2.gz AFHNFJPTFHFZQT-UHFFFAOYSA-N 0 0 414.668 4.138 50 5 HIBARN Cc1ccc(C(=O)Nc2cccc(-n3c(C)nc4ccccc4c3=O)c2)cc1[N+](=O)[O-] ZINC000004585414 558776111 /nfs/dbraw/zinc/77/61/11/558776111.db2.gz LVUYNSPCIFLMOX-UHFFFAOYSA-N 0 0 414.421 4.163 50 5 HIBARN Cc1cc(-n2c(C)nc3ccccc3c2=O)ccc1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000004585413 558776166 /nfs/dbraw/zinc/77/61/66/558776166.db2.gz RQENNTAMEVVHSG-UHFFFAOYSA-N 0 0 414.421 4.163 50 5 HIBARN Cc1cccc(C)c1OCc1nnc(SCc2c(Cl)cccc2[N+](=O)[O-])n1N ZINC000016381503 558788756 /nfs/dbraw/zinc/78/87/56/558788756.db2.gz MEYVSKNDTBILCF-UHFFFAOYSA-N 0 0 419.894 4.042 50 5 HIBARN COP(=O)(OC)c1nc(-c2cccc([N+](=O)[O-])c2)oc1NCCc1ccccc1 ZINC000016806313 558807490 /nfs/dbraw/zinc/80/74/90/558807490.db2.gz KTGVCMYORCDZCG-UHFFFAOYSA-N 0 0 417.358 4.016 50 5 HIBARN O=C(c1ccc([N+](=O)[O-])o1)N1N=C(c2ccccc2)C[C@@H]1c1ccc2nccnc2c1 ZINC000013692561 558854929 /nfs/dbraw/zinc/85/49/29/558854929.db2.gz MVUNDLVGOCSHJB-LJQANCHMSA-N 0 0 413.393 4.123 50 5 HIBARN C[C@H](c1nc2ccccc2s1)N(C)C(=O)/C=C\c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000096879351 558862766 /nfs/dbraw/zinc/86/27/66/558862766.db2.gz MGEDIDDAAGIYJJ-QDZRJHCZSA-N 0 0 411.439 4.166 50 5 HIBARN Cc1cccc(NC(=O)c2ccc(NCc3ccc4c(c3)OCO4)c([N+](=O)[O-])c2)c1 ZINC000004668180 558878040 /nfs/dbraw/zinc/87/80/40/558878040.db2.gz NFLHFCVEHLKXAD-UHFFFAOYSA-N 0 0 405.410 4.496 50 5 HIBARN C[C@@H]1CC[C@@H]2C(=O)N(c3ccc(N(C)CCc4ccccc4)c([N+](=O)[O-])c3)C(=O)[C@@H]2C1 ZINC000004684157 558895090 /nfs/dbraw/zinc/89/50/90/558895090.db2.gz XMXOMVKWEQWXIG-LSTHTHJFSA-N 0 0 421.497 4.199 50 5 HIBARN O=C1NC(=Cc2ccccc2OCc2cccc([N+](=O)[O-])c2)C(=O)N1c1ccccc1 ZINC000004702372 558906638 /nfs/dbraw/zinc/90/66/38/558906638.db2.gz RSWVOIKCPMJMAU-XSFVSMFZSA-N 0 0 415.405 4.271 50 5 HIBARN CC(=O)N1N=C(c2cc(C3CC3)nc3ccccc32)O[C@H]1c1ccc([N+](=O)[O-])s1 ZINC000021941242 558979031 /nfs/dbraw/zinc/97/90/31/558979031.db2.gz QVMPJVGUOZNAQA-FQEVSTJZSA-N 0 0 408.439 4.321 50 5 HIBARN O=C(CSc1nc2ccc([N+](=O)[O-])cc2s1)NC12CC3CC(CC(C3)C1)C2 ZINC000004837138 559166215 /nfs/dbraw/zinc/16/62/15/559166215.db2.gz BJSUCZJBRYKCFR-UHFFFAOYSA-N 0 0 403.529 4.382 50 5 HIBARN CCOc1ccc(C(=O)Nc2cc(F)cc(Br)c2OC)cc1[N+](=O)[O-] ZINC000023513986 559176502 /nfs/dbraw/zinc/17/65/02/559176502.db2.gz UOUVJXGILHEIMK-UHFFFAOYSA-N 0 0 413.199 4.156 50 5 HIBARN Cc1cc2nnc(S[C@@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])n2c2ccccc12 ZINC000004843522 559177281 /nfs/dbraw/zinc/17/72/81/559177281.db2.gz ZHLLSMOFRMAHKX-ZDUSSCGKSA-N 0 0 407.455 4.218 50 5 HIBARN CN1C(=S)N(c2ccccc2)C(=O)/C1=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000004894376 559198072 /nfs/dbraw/zinc/19/80/72/559198072.db2.gz MLEFSBDWWKZQAT-AQTBWJFISA-N 0 0 405.435 4.459 50 5 HIBARN COc1ccccc1-c1cc(C(=O)Nc2ccc([N+](=O)[O-])cn2)c2ccccc2n1 ZINC000005048539 559235519 /nfs/dbraw/zinc/23/55/19/559235519.db2.gz HQIYOZNTBWEABE-UHFFFAOYSA-N 0 0 400.394 4.466 50 5 HIBARN CCC(=O)N1N=C(c2ccc(Br)cc2)C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000005064298 559239407 /nfs/dbraw/zinc/23/94/07/559239407.db2.gz UEIIKVFZPFEXKH-QGZVFWFLSA-N 0 0 402.248 4.445 50 5 HIBARN CN(Cc1ccccc1N1CCCC1)C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000024190841 559277003 /nfs/dbraw/zinc/27/70/03/559277003.db2.gz AWSIJMSHBKQIJK-UHFFFAOYSA-N 0 0 422.529 4.070 50 5 HIBARN CCOC(=O)/C(=C/c1ccc(Cl)c(Cl)c1)NC(=O)c1ccccc1[N+](=O)[O-] ZINC000005196397 559291785 /nfs/dbraw/zinc/29/17/85/559291785.db2.gz BBEJFUJBVHTDQA-GDNBJRDFSA-N 0 0 409.225 4.236 50 5 HIBARN Cc1cc(C(=O)Nn2c(=O)c3ccccc3nc2C2CCCCC2)ccc1[N+](=O)[O-] ZINC000005206016 560539501 /nfs/dbraw/zinc/53/95/01/560539501.db2.gz WWSPBRQCRFZNHV-UHFFFAOYSA-N 0 0 406.442 4.045 50 5 HIBARN Cc1cc(N2C(=O)c3oc4c5ccccc5ccc4c(=O)c3[C@@H]2c2ccccn2)no1 ZINC000005206101 560539505 /nfs/dbraw/zinc/53/95/05/560539505.db2.gz XNVIXCOFPZHQBP-FQEVSTJZSA-N 0 0 409.401 4.387 50 5 HIBARN COc1cc(/C=C/c2onc(C)c2[N+](=O)[O-])ccc1OCC(=O)Nc1ccccc1 ZINC000005576696 560624559 /nfs/dbraw/zinc/62/45/59/560624559.db2.gz NDGQKKFQDXHANG-PKNBQFBNSA-N 0 0 409.398 4.088 50 5 HIBARN Cc1cc(NC(=O)COC(=O)Cc2ccc(Cl)cc2Cl)c([N+](=O)[O-])cc1C ZINC000005653591 560637236 /nfs/dbraw/zinc/63/72/36/560637236.db2.gz HNQXQRVXGQOIJR-UHFFFAOYSA-N 0 0 411.241 4.243 50 5 HIBARN Cc1[nH]nc2c1[C@@H](c1cccc([N+](=O)[O-])c1)N(c1ccc(Br)cc1)C2=O ZINC000017252450 560705106 /nfs/dbraw/zinc/70/51/06/560705106.db2.gz CJIPLBAHMOOHNI-QGZVFWFLSA-N 0 0 413.231 4.139 50 5 HIBARN Cc1ccc(C(=O)c2ccccc2)c(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c1 ZINC000005682104 560780661 /nfs/dbraw/zinc/78/06/61/560780661.db2.gz VNABWHXZLWCGHV-UHFFFAOYSA-N 0 0 405.366 4.295 50 5 HIBARN COc1ccc(-c2cc(C(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)no2)cc1OC ZINC000046086928 568428235 /nfs/dbraw/zinc/42/82/35/568428235.db2.gz YYXXLCYGVNPGCX-UHFFFAOYSA-N 0 0 403.778 4.173 50 5 HIBARN CN(C(=O)CN1CCC[C@H]1Cc1c(F)cccc1Cl)c1ccc([N+](=O)[O-])cc1 ZINC000048289894 568435018 /nfs/dbraw/zinc/43/50/18/568435018.db2.gz GFIMFVKFRAGYRB-INIZCTEOSA-N 0 0 405.857 4.057 50 5 HIBARN O=C(COc1ccc([N+](=O)[O-])cc1C(F)(F)F)c1ccc(N2CCCC2=O)cc1 ZINC000048361567 568441271 /nfs/dbraw/zinc/44/12/71/568441271.db2.gz QDYKAEUGEYXUIC-UHFFFAOYSA-N 0 0 408.332 4.002 50 5 HIBARN Cc1cc(=O)oc2cc(NC(=O)[C@H](C)Oc3ccc([N+](=O)[O-])cc3Cl)ccc12 ZINC000049967606 568453707 /nfs/dbraw/zinc/45/37/07/568453707.db2.gz NCSHSWXZZFKDPN-NSHDSACASA-N 0 0 402.790 4.069 50 5 HIBARN O=[N+]([O-])c1ccccc1-c1nnc2c3ccc(Cl)cc3nc(N3CCCCC3)n21 ZINC000034699480 568455279 /nfs/dbraw/zinc/45/52/79/568455279.db2.gz VGWWASOKSRGVSR-UHFFFAOYSA-N 0 0 408.849 4.496 50 5 HIBARN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1Cn1nc(-c2cccnc2)n(C2CC2)c1=S ZINC000024654933 568455657 /nfs/dbraw/zinc/45/56/57/568455657.db2.gz WEIYKWSATVICDT-CYBMUJFWSA-N 0 0 408.487 4.128 50 5 HIBARN CCOC(=O)/C=C(\C)N1N=C(c2cccc([N+](=O)[O-])c2)C[C@@H]1c1ccc(OC)cc1 ZINC000000820345 568497898 /nfs/dbraw/zinc/49/78/98/568497898.db2.gz MKPKKOWFCVLYGF-FFXXTYGZSA-N 0 0 409.442 4.221 50 5 HIBARN Cc1nn(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(C)c1Sc1ccc(Cl)cc1 ZINC000000834971 568501587 /nfs/dbraw/zinc/50/15/87/568501587.db2.gz JFEIJZLPYJUPMQ-UHFFFAOYSA-N 0 0 423.903 4.450 50 5 HIBARN CC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]12 ZINC000000835811 568501674 /nfs/dbraw/zinc/50/16/74/568501674.db2.gz IHITZEHWKGKLRG-ZKKFKWFVSA-N 0 0 410.429 4.166 50 5 HIBARN Cc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)C2(C)c4ccccc4C3c3ccccc32)cc1[N+](=O)[O-] ZINC000000835827 568501708 /nfs/dbraw/zinc/50/17/08/568501708.db2.gz QRSXZSAPTKDIQA-VUUXHMSQSA-N 0 0 424.456 4.474 50 5 HIBARN O=C(Cc1ccccc1)N[C@@H](Oc1ccccc1[N+](=O)[O-])C(Cl)(Cl)Cl ZINC000000832365 568512121 /nfs/dbraw/zinc/51/21/21/568512121.db2.gz RCEBWLXEHWHSKY-HNNXBMFYSA-N 0 0 403.649 4.029 50 5 HIBARN Cc1ccccc1N[C@H](NC(=O)c1ccccc1[N+](=O)[O-])C(Cl)(Cl)Cl ZINC000000837030 568515053 /nfs/dbraw/zinc/51/50/53/568515053.db2.gz NLSVHQIFEFIUAB-OAHLLOKOSA-N 0 0 402.665 4.441 50 5 HIBARN Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000000842049 568530126 /nfs/dbraw/zinc/53/01/26/568530126.db2.gz KZKCFVSLBYPNKW-BBITVKMKSA-N 0 0 410.429 4.300 50 5 HIBARN O=C(Nc1ccc(F)cc1[N+](=O)[O-])N[C@@]1(C(F)(F)F)Oc2ccc(Cl)cc2O1 ZINC000020111963 568588670 /nfs/dbraw/zinc/58/86/70/568588670.db2.gz SGWTVSKHSGJZLY-HNNXBMFYSA-N 0 0 421.690 4.196 50 5 HIBARN Cc1ccc(Cn2c3ccccc3n(CC(=O)c3ccc([N+](=O)[O-])cc3)c2=N)cc1 ZINC000020130833 568589694 /nfs/dbraw/zinc/58/96/94/568589694.db2.gz ZZTYBZRUUOWNJO-UHFFFAOYSA-N 0 0 400.438 4.070 50 5 aggregator HIBARN O=C(c1ccccc1)N1C[C@H](COc2ccccc2)O[C@H](c2ccccc2[N+](=O)[O-])O1 ZINC000020509066 568619752 /nfs/dbraw/zinc/61/97/52/568619752.db2.gz PDSYWWWKKGZJCL-XXBNENTESA-N 0 0 420.421 4.145 50 5 HIBARN COc1cccc(NC(=O)c2cc(C(=O)Nc3cccc(OC)c3)cc([N+](=O)[O-])c2)c1 ZINC000000851626 568711961 /nfs/dbraw/zinc/71/19/61/568711961.db2.gz SRECJOMJMCQZRV-UHFFFAOYSA-N 0 0 421.409 4.117 50 5 HIBARN CCc1cccc2c([C@H](CC(=O)N3CCOCC3)c3ccc([N+](=O)[O-])cc3)c[nH]c21 ZINC000096275698 568714546 /nfs/dbraw/zinc/71/45/46/568714546.db2.gz GKHVJGVFNSOADI-HXUWFJFHSA-N 0 0 407.470 4.019 50 5 HIBARN CC(C)CN(CCc1nc(-c2cccc([N+](=O)[O-])c2)no1)C(=O)CCc1ccccc1 ZINC000096277044 568715812 /nfs/dbraw/zinc/71/58/12/568715812.db2.gz XREQXPOMXRRUBR-UHFFFAOYSA-N 0 0 422.485 4.305 50 5 HIBARN O=C(c1ccco1)N(CCc1nc(-c2cccc([N+](=O)[O-])c2)no1)C1CCCCC1 ZINC000096277172 568715891 /nfs/dbraw/zinc/71/58/91/568715891.db2.gz HWFMBXBHCCAMAY-UHFFFAOYSA-N 0 0 410.430 4.255 50 5 HIBARN CC[C@@H](C)N(CCc1nc(-c2cccc([N+](=O)[O-])c2)no1)C(=O)CCc1ccccc1 ZINC000096278637 568717006 /nfs/dbraw/zinc/71/70/06/568717006.db2.gz UBVKHWDNXCNLHI-QGZVFWFLSA-N 0 0 422.485 4.447 50 5 HIBARN CC(C)CC(=O)N(CCc1nc(-c2cccc([N+](=O)[O-])c2)no1)Cc1ccccc1 ZINC000096292208 568721194 /nfs/dbraw/zinc/72/11/94/568721194.db2.gz OCEZRORPLGZAII-UHFFFAOYSA-N 0 0 408.458 4.262 50 5 HIBARN Cc1ccc(C2=NN(C(=O)CNc3cccc([N+](=O)[O-])c3)[C@@H](c3ccco3)C2)cc1 ZINC000015085841 568749911 /nfs/dbraw/zinc/74/99/11/568749911.db2.gz DNBHVJZNUZDCNK-HXUWFJFHSA-N 0 0 404.426 4.286 50 5 HIBARN CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3ccc([N+](=O)[O-])cc3)c2C(N)=O)C1 ZINC000000921010 568750583 /nfs/dbraw/zinc/75/05/83/568750583.db2.gz RCXSBEKBQYBBEU-LBPRGKRZSA-N 0 0 401.488 4.159 50 5 HIBARN COC(=O)c1c(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)sc2c1CC[C@H](C)C2 ZINC000000943816 568752887 /nfs/dbraw/zinc/75/28/87/568752887.db2.gz VQWLZFNYGGETEB-VIFPVBQESA-N 0 0 408.863 4.473 50 5 HIBARN CCSc1nnc2c(n1)O[C@@H](c1ccccc1[N+](=O)[O-])N(C(C)=O)c1ccccc1-2 ZINC000001006726 568761202 /nfs/dbraw/zinc/76/12/02/568761202.db2.gz WSYNCRRWXNSKSS-IBGZPJMESA-N 0 0 423.454 4.003 50 5 HIBARN C/C(=C(\NC(=O)c1ccccc1)C(=O)NC1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000096576581 568761439 /nfs/dbraw/zinc/76/14/39/568761439.db2.gz KLIIWKZEGAMCDS-LTGZKZEYSA-N 0 0 407.470 4.205 50 5 HIBARN CSc1ccc([N+](=O)[O-])cc1-c1ccn(S(=O)(=O)c2ccc(Cl)cc2)n1 ZINC000001037744 568764090 /nfs/dbraw/zinc/76/40/90/568764090.db2.gz HRGSQRAAAVGLNA-UHFFFAOYSA-N 0 0 409.876 4.071 50 5 HIBARN O=C(Nc1ccc([N+](=O)[O-])cc1)/C(=C\c1ccc(F)cc1)NC(=O)c1ccccc1 ZINC000022238467 568765739 /nfs/dbraw/zinc/76/57/39/568765739.db2.gz BDEVPPWNUIGZHY-XSFVSMFZSA-N 0 0 405.385 4.144 50 5 HIBARN O=[N+]([O-])c1cc(Br)c2nsnc2c1Sc1ncnc2ccccc21 ZINC000001089494 568769092 /nfs/dbraw/zinc/76/90/92/568769092.db2.gz PABZOTXEXSHDNV-UHFFFAOYSA-N 0 0 420.273 4.456 50 5 HIBARN Cc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000001119060 568770876 /nfs/dbraw/zinc/77/08/76/568770876.db2.gz DNGFMYWQSRQKHL-UHFFFAOYSA-N 0 0 402.410 4.464 50 5 HIBARN O=C(Nc1ccc(Cl)cc1)c1cc(I)cc([N+](=O)[O-])c1 ZINC000001120299 568771115 /nfs/dbraw/zinc/77/11/15/568771115.db2.gz YNAJNQGBQBAUEI-UHFFFAOYSA-N 0 0 402.575 4.105 50 5 HIBARN NC(=O)c1ccc(NC(=O)c2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)cc2)cc1 ZINC000001140896 568772065 /nfs/dbraw/zinc/77/20/65/568772065.db2.gz DKNARULNTHNDBG-UHFFFAOYSA-N 0 0 411.801 4.392 50 5 HIBARN CCOC(=O)c1c(NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2)sc2c1CCCC2 ZINC000001140928 568772073 /nfs/dbraw/zinc/77/20/73/568772073.db2.gz YRFAJIKEXLPCBF-LBPRGKRZSA-N 0 0 402.472 4.454 50 5 HIBARN COc1ccc(O[C@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)[C@H]2c2ccccc2OC)cc1 ZINC000001145876 568772518 /nfs/dbraw/zinc/77/25/18/568772518.db2.gz MOWWIWJKBDEMHS-FCHUYYIVSA-N 0 0 420.421 4.148 50 5 HIBARN COc1ccc(C(=O)Nc2cc3nn(-c4ccc(C)cc4)nc3cc2C)cc1[N+](=O)[O-] ZINC000001166101 568775714 /nfs/dbraw/zinc/77/57/14/568775714.db2.gz GQOLOYVMFAIUGW-UHFFFAOYSA-N 0 0 417.425 4.206 50 5 HIBARN Cc1cc([N+](=O)[O-])cc(C(=O)OCC(=O)c2ccc(NC(=O)C(C)(C)C)cc2)c1F ZINC000225663682 568778365 /nfs/dbraw/zinc/77/83/65/568778365.db2.gz UGPYIWWTFUJLEX-UHFFFAOYSA-N 0 0 416.405 4.067 50 5 HIBARN Cc1c(C(=O)N2CC(=O)Nc3ccc(F)cc3[C@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000002724783 568802817 /nfs/dbraw/zinc/80/28/17/568802817.db2.gz FHALYJLLGZRIEE-JOCHJYFZSA-N 0 0 419.412 4.226 50 5 HIBARN Cc1ccc(OCc2ccc(-c3nc4c5ccccc5ncn4n3)o2)c([N+](=O)[O-])c1 ZINC000002732708 568805105 /nfs/dbraw/zinc/80/51/05/568805105.db2.gz GHJHBOPJKVQONX-UHFFFAOYSA-N 0 0 401.382 4.333 50 5 HIBARN COc1ccc(Cl)cc1NC(=O)c1ccccc1Cn1nc(C)c([N+](=O)[O-])c1C ZINC000002796603 568809660 /nfs/dbraw/zinc/80/96/60/568809660.db2.gz ZRCITYQEDACFLA-UHFFFAOYSA-N 0 0 414.849 4.371 50 5 HIBARN CCOc1ccc(C(=O)NC(=S)Nc2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000001171358 568818819 /nfs/dbraw/zinc/81/88/19/568818819.db2.gz CQQPCNWVLQTXEN-UHFFFAOYSA-N 0 0 413.377 4.139 50 5 HIBARN O=C(N[C@H](OCc1ccccc1)C(Cl)(Cl)Cl)c1cccc([N+](=O)[O-])c1 ZINC000001170386 568821174 /nfs/dbraw/zinc/82/11/74/568821174.db2.gz AOXDMGYSFDIGHL-OAHLLOKOSA-N 0 0 403.649 4.238 50 5 HIBARN Cc1ccccc1C(=O)NC(NC(=O)c1ccccc1C)c1cccc([N+](=O)[O-])c1 ZINC000001187886 568821827 /nfs/dbraw/zinc/82/18/27/568821827.db2.gz QOHGVMNLMQRELF-UHFFFAOYSA-N 0 0 403.438 4.070 50 5 aggregator HIBARN COc1cc(C(=O)Nc2ccc(OCc3ccccc3)cc2)c([N+](=O)[O-])cc1OC ZINC000001190138 568822695 /nfs/dbraw/zinc/82/26/95/568822695.db2.gz HDRYWKMUNVTWHG-UHFFFAOYSA-N 0 0 408.410 4.443 50 5 HIBARN O=C(Nc1ccc2nn(-c3ccc(F)cc3)nc2c1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000001206298 568823551 /nfs/dbraw/zinc/82/35/51/568823551.db2.gz SLLPLDYKIVCAMH-UHFFFAOYSA-N 0 0 411.780 4.374 50 5 HIBARN C[C@H]1CCCN(c2ccc(C(=O)OCC(=O)c3c[nH]c4ccccc34)cc2[N+](=O)[O-])C1 ZINC000005986493 568834238 /nfs/dbraw/zinc/83/42/38/568834238.db2.gz DUXFYIDXMQBAPP-HNNXBMFYSA-N 0 0 421.453 4.352 50 5 HIBARN CSCC[C@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1nc2ccccc2[nH]1 ZINC000006024985 568835735 /nfs/dbraw/zinc/83/57/35/568835735.db2.gz ZKUBPEFOSUUCFE-HNNXBMFYSA-N 0 0 404.879 4.349 50 5 aggregator HIBARN COc1cccc(Oc2ccc(S(=O)(=O)Nc3ccccc3)cc2[N+](=O)[O-])c1 ZINC000012544830 568850059 /nfs/dbraw/zinc/85/00/59/568850059.db2.gz QKAKDSLDRGOYJQ-UHFFFAOYSA-N 0 0 400.412 4.197 50 5 HIBARN O=C(Nc1ccc(Cl)cc1)c1ccc2c(c1)C(=O)N(c1cccc([N+](=O)[O-])c1)C2=O ZINC000003102860 568855596 /nfs/dbraw/zinc/85/55/96/568855596.db2.gz VEILWRNTPGITKE-UHFFFAOYSA-N 0 0 421.796 4.301 50 5 HIBARN O=C(CCc1ccc([N+](=O)[O-])cc1)c1c(O)cc(OC(=O)c2ccccc2)cc1O ZINC000003122418 568856782 /nfs/dbraw/zinc/85/67/82/568856782.db2.gz FRVQMBCJRXZXKU-UHFFFAOYSA-N 0 0 407.378 4.041 50 5 HIBARN O=C1OC(c2ccc(Cl)c([N+](=O)[O-])c2)=N/C1=C\c1ccccc1Br ZINC000003147490 568858334 /nfs/dbraw/zinc/85/83/34/568858334.db2.gz OVPOBEFRAXUFRQ-QPEQYQDCSA-N 0 0 407.607 4.355 50 5 HIBARN COCCNc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)c1ccc(Cl)cc1Cl ZINC000012563351 568859198 /nfs/dbraw/zinc/85/91/98/568859198.db2.gz VRQYMOFJHPPTLM-LLVKDONJSA-N 0 0 412.273 4.451 50 5 HIBARN Cc1csc(Sc2ccc(C(=O)OCc3c(C)noc3C)cc2[N+](=O)[O-])n1 ZINC000003280797 568871675 /nfs/dbraw/zinc/87/16/75/568871675.db2.gz NETQGIWBWSDCFT-UHFFFAOYSA-N 0 0 405.457 4.473 50 5 HIBARN O=C(OCCOc1ccc(Br)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000003311869 568878537 /nfs/dbraw/zinc/87/85/37/568878537.db2.gz DDOVMIYLJAOWSS-UHFFFAOYSA-N 0 0 400.612 4.247 50 5 HIBARN O=C(Nc1ccc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1)c1cc2ccccc2o1 ZINC000003438230 568903213 /nfs/dbraw/zinc/90/32/13/568903213.db2.gz HUZRGBMUSGVQPE-UHFFFAOYSA-N 0 0 422.418 4.426 50 5 HIBARN COCCCn1c(Sc2ccc([N+](=O)[O-])nc2)nnc1-c1ccccc1Cl ZINC000003446650 568904765 /nfs/dbraw/zinc/90/47/65/568904765.db2.gz TYTYVDXCGGXRLA-UHFFFAOYSA-N 0 0 405.867 4.089 50 5 HIBARN CCc1ccccc1NC(=O)CCCC(=O)OCC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000003465395 568906784 /nfs/dbraw/zinc/90/67/84/568906784.db2.gz WLMQCYCMQAVQBQ-UHFFFAOYSA-N 0 0 412.442 4.001 50 5 HIBARN CC(=O)c1ccc(SCC(=O)N(C)Cc2cc([N+](=O)[O-])ccc2Cl)c(F)c1 ZINC000058308364 568910207 /nfs/dbraw/zinc/91/02/07/568910207.db2.gz CVNFTGXFLVYKFO-UHFFFAOYSA-N 0 0 410.854 4.341 50 5 HIBARN CCOc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc(OCC)c1OCC ZINC000004135118 568915907 /nfs/dbraw/zinc/91/59/07/568915907.db2.gz PBNWEQFEDQBNEC-UHFFFAOYSA-N 0 0 404.419 4.052 50 5 HIBARN O=C(NCc1ccccc1[N+](=O)[O-])c1csc(-c2cc(Br)cs2)n1 ZINC000058407164 568916555 /nfs/dbraw/zinc/91/65/55/568916555.db2.gz PGXCANLYYACRQW-UHFFFAOYSA-N 0 0 424.301 4.472 50 5 HIBARN CCOC(=O)c1cnn(-c2nc(-c3cccc([N+](=O)[O-])c3)cs2)c1C(F)(F)F ZINC000001396020 568926170 /nfs/dbraw/zinc/92/61/70/568926170.db2.gz NPMZMYQPLQTJTR-UHFFFAOYSA-N 0 0 412.349 4.100 50 5 HIBARN CCc1noc(CSc2nc3cc([N+](=O)[O-])ccc3n2-c2ccccc2OC)n1 ZINC000012742808 568930101 /nfs/dbraw/zinc/93/01/01/568930101.db2.gz NZJWDVHYJDMLQJ-UHFFFAOYSA-N 0 0 411.443 4.180 50 5 HIBARN COc1ccc([C@@H]2[C@H](Oc3ccccc3)C(=O)N2c2cccc([N+](=O)[O-])c2)cc1OC ZINC000001439848 568940078 /nfs/dbraw/zinc/94/00/78/568940078.db2.gz GEFYNPZLQBATMA-YADHBBJMSA-N 0 0 420.421 4.148 50 5 HIBARN O=C(COc1cc(F)ccc1[N+](=O)[O-])NCc1ccc(-c2ccc(Cl)cc2)o1 ZINC000012751776 568940920 /nfs/dbraw/zinc/94/09/20/568940920.db2.gz RIHMOTFJEMQXTL-UHFFFAOYSA-N 0 0 404.781 4.343 50 5 HIBARN CCOc1ccccc1C(=O)Nc1c2c(nn1-c1ccc([N+](=O)[O-])cc1)CSC2 ZINC000004087632 568941043 /nfs/dbraw/zinc/94/10/43/568941043.db2.gz LMYVIKWUSAFEPJ-UHFFFAOYSA-N 0 0 410.455 4.178 50 5 HIBARN C[C@@H](CNc1ccc(Cl)cc1[N+](=O)[O-])NC(=O)c1cc(F)c(F)cc1Cl ZINC000004108259 568943814 /nfs/dbraw/zinc/94/38/14/568943814.db2.gz WSVBPGSYZZASFV-QMMMGPOBSA-N 0 0 404.200 4.410 50 5 HIBARN CNc1ccc(C(=O)c2ccccc2C(=O)Nc2cccc(OC)c2)cc1[N+](=O)[O-] ZINC000012766660 568948700 /nfs/dbraw/zinc/94/87/00/568948700.db2.gz SAMFNLFBOYRXGF-UHFFFAOYSA-N 0 0 405.410 4.128 50 5 HIBARN CN(CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)Cc1ccc(Br)cc1 ZINC000007975638 568960156 /nfs/dbraw/zinc/96/01/56/568960156.db2.gz XWIXUWMHVKMJSN-UHFFFAOYSA-N 0 0 412.671 4.081 50 5 HIBARN O=C(Cc1ccccc1)N[C@@H](Oc1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)Cl ZINC000001446757 568968849 /nfs/dbraw/zinc/96/88/49/568968849.db2.gz KVVAPOPXHLLEMH-HNNXBMFYSA-N 0 0 403.649 4.029 50 5 HIBARN C[C@@H](Sc1n[nH]c(-c2ccccc2)n1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000008072815 568971683 /nfs/dbraw/zinc/97/16/83/568971683.db2.gz QXARVUOVRIMEDF-SNVBAGLBSA-N 0 0 403.851 4.153 50 5 HIBARN Cc1ccccc1N[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(Cl)(Cl)Cl ZINC000001450873 568986323 /nfs/dbraw/zinc/98/63/23/568986323.db2.gz ZXVXSZJIHKYAKY-HNNXBMFYSA-N 0 0 402.665 4.441 50 5 HIBARN Cc1cccc(C(=O)OCC(=O)N(C)C(c2ccccc2)c2ccccc2)c1[N+](=O)[O-] ZINC000008278777 568987292 /nfs/dbraw/zinc/98/72/92/568987292.db2.gz PIXGXTBTABVPIZ-UHFFFAOYSA-N 0 0 418.449 4.308 50 5 HIBARN O=C1c2cccc3c2c(ccc3Cl)N1S(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000035167307 569001520 /nfs/dbraw/zinc/00/15/20/569001520.db2.gz AJSKPHMDBLJZRM-UHFFFAOYSA-N 0 0 423.233 4.404 50 5 HIBARN O=c1c2ccccc2nc(/C=C/c2ccccc2[N+](=O)[O-])n1-c1ccc([N+](=O)[O-])cc1 ZINC000008431719 569002862 /nfs/dbraw/zinc/00/28/62/569002862.db2.gz GQVOGBJKUGIKEU-NTEUORMPSA-N 0 0 414.377 4.373 50 5 HIBARN Cc1nn(-c2ccccc2)c(C)c1NC(=O)CN(C)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000012857640 569011256 /nfs/dbraw/zinc/01/12/56/569011256.db2.gz PVMYDCRXIBUTCE-MRXNPFEDSA-N 0 0 407.474 4.029 50 5 HIBARN Cc1nn(-c2nc3ccccc3s2)c2c1[C@H](c1cccc([N+](=O)[O-])c1)CC(=O)N2 ZINC000015868197 569017052 /nfs/dbraw/zinc/01/70/52/569017052.db2.gz NXHOKYSZUNRPQH-AWEZNQCLSA-N 0 0 405.439 4.173 50 5 HIBARN C[C@@H]1CN(c2ccc(C(=O)c3ccc(Br)cc3)cc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000016286167 569030380 /nfs/dbraw/zinc/03/03/80/569030380.db2.gz DQDFSZDUGJPFJC-CHWSQXEVSA-N 0 0 419.275 4.202 50 5 HIBARN Cc1ccc(C(=O)Nc2cc3nn(-c4ccc(F)cc4)nc3cc2C)cc1[N+](=O)[O-] ZINC000016347863 569031901 /nfs/dbraw/zinc/03/19/01/569031901.db2.gz IFJHRRLHLLOVPU-UHFFFAOYSA-N 0 0 405.389 4.337 50 5 HIBARN COc1ccc(C(=O)N[C@@H](Cc2ccccc2)c2nc3ccccc3[nH]2)cc1[N+](=O)[O-] ZINC000006314326 569040165 /nfs/dbraw/zinc/04/01/65/569040165.db2.gz CGWDTQPILUBKPE-IBGZPJMESA-N 0 0 416.437 4.194 50 5 HIBARN COc1ccccc1N1C(=O)C(=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)NC1=S ZINC000035669756 569048458 /nfs/dbraw/zinc/04/84/58/569048458.db2.gz ITSCLRFBBXLCNA-FOWTUZBSSA-N 0 0 421.434 4.126 50 5 HIBARN COC(=O)CCCN(Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000089400807 569059357 /nfs/dbraw/zinc/05/93/57/569059357.db2.gz ZNRBRYVNLOGHBK-UHFFFAOYSA-N 0 0 405.838 4.236 50 5 HIBARN Cc1c(Cl)cccc1NC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 ZINC000006552553 569065310 /nfs/dbraw/zinc/06/53/10/569065310.db2.gz WYJZJFWSDLRLKO-UHFFFAOYSA-N 0 0 403.851 4.089 50 5 HIBARN CCCCc1ccc(NC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)cc1 ZINC000006552628 569065348 /nfs/dbraw/zinc/06/53/48/569065348.db2.gz LHQLAIBCYDAYIP-UHFFFAOYSA-N 0 0 411.487 4.469 50 5 HIBARN COc1ccc(-n2nc(C(=O)N3CCCC3)c(C)c2Oc2ccccc2[N+](=O)[O-])cc1 ZINC000036008955 569076309 /nfs/dbraw/zinc/07/63/09/569076309.db2.gz QDVOUYGNGOYIDL-UHFFFAOYSA-N 0 0 422.441 4.126 50 5 HIBARN Cc1cccc(CN(c2ccc(F)cc2)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000036247926 569117240 /nfs/dbraw/zinc/11/72/40/569117240.db2.gz HVUFJQXCQBKTSR-UHFFFAOYSA-N 0 0 400.431 4.438 50 5 HIBARN O=C(N[C@H]1CCOc2ccccc21)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000006980066 569192567 /nfs/dbraw/zinc/19/25/67/569192567.db2.gz DQHZGEHEVBQUGF-IBGZPJMESA-N 0 0 403.438 4.461 50 5 HIBARN CC1(C)S[C@H]2c3ccccc3C(=O)N2[C@H]1C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000036569410 569201446 /nfs/dbraw/zinc/20/14/46/569201446.db2.gz QECQXNXPNVBIOD-YJBOKZPZSA-N 0 0 417.874 4.235 50 5 HIBARN CC(C)N(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000007595031 569287326 /nfs/dbraw/zinc/28/73/26/569287326.db2.gz JSNVZNQAWICUPN-UHFFFAOYSA-N 0 0 400.822 4.349 50 5 HIBARN Cc1ccc(S(=O)(=O)Nc2ccccc2-c2nc3cc([N+](=O)[O-])ccc3n2C)cc1 ZINC000252503515 569291210 /nfs/dbraw/zinc/29/12/10/569291210.db2.gz VEEVGXLSWFNQJK-UHFFFAOYSA-N 0 0 422.466 4.258 50 5 HIBARN O=[N+]([O-])c1ccccc1C1=NN(S(=O)(=O)c2ccccc2)[C@H](c2cccs2)C1 ZINC000241171107 569302510 /nfs/dbraw/zinc/30/25/10/569302510.db2.gz KEGFTQWRHDBQGE-SFHVURJKSA-N 0 0 413.480 4.196 50 5 HIBARN CCN(Cc1nc(-c2ccc(C)cc2)no1)C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000007721323 569302565 /nfs/dbraw/zinc/30/25/65/569302565.db2.gz IFSZIAZZGVHURL-UHFFFAOYSA-N 0 0 400.822 4.269 50 5 HIBARN Cn1c2ccccc2c(=O)c2c(=O)n(-c3ccc(F)cc3)c(-c3ccc(F)cc3)nc21 ZINC000002214675 569309751 /nfs/dbraw/zinc/30/97/51/569309751.db2.gz BPGUNBQVUPKTHM-UHFFFAOYSA-N 0 0 415.399 4.183 50 5 HIBARN Cn1c(=O)nc2n(-c3ccc(Cl)c(Cl)c3)c3cc(Cl)ccc3cc-2c1=O ZINC000002215943 569310837 /nfs/dbraw/zinc/31/08/37/569310837.db2.gz LUNZXQHXKDOKOO-UHFFFAOYSA-N 0 0 406.656 4.149 50 5 HIBARN Cc1ccc([C@@H]2Nc3ccccc3C(=O)N2Cc2ccc3c(c2)OCO3)cc1[N+](=O)[O-] ZINC000007889592 569315274 /nfs/dbraw/zinc/31/52/74/569315274.db2.gz HEJLEEZGXJLRPY-JOCHJYFZSA-N 0 0 417.421 4.399 50 5 HIBARN O=c1c2c3nc4ccccc4nc3n(Cc3ccc(F)cc3)c2ncn1-c1ccccc1 ZINC000002269172 569325945 /nfs/dbraw/zinc/32/59/45/569325945.db2.gz LRYKLLZQRUMXLW-UHFFFAOYSA-N 0 0 421.435 4.471 50 5 HIBARN CC(=O)NC(=O)c1cc2cc([N+](=O)[O-])ccc2o/c1=N\c1ccc(Cl)cc1Cl ZINC000027520974 569328113 /nfs/dbraw/zinc/32/81/13/569328113.db2.gz HSKOZUSLXQIUPU-PYCFMQQDSA-N 0 0 420.208 4.157 50 5 HIBARN O=C(Nc1cccc(-c2cn3ccccc3n2)c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000002289782 569365092 /nfs/dbraw/zinc/36/50/92/569365092.db2.gz WDOYCJRRXDHULU-UHFFFAOYSA-N 0 0 403.354 4.070 50 5 HIBARN Cc1nn(-c2ccccc2)c(Cl)c1/C=C1\N=C(c2cccc([N+](=O)[O-])c2)OC1=O ZINC000002308241 569372704 /nfs/dbraw/zinc/37/27/04/569372704.db2.gz XUWOZBBRFWLJNU-BOPFTXTBSA-N 0 0 408.801 4.087 50 5 HIBARN CCCCn1c(C)nc2c(c3nc4ccccc4nc3n2-c2ccc(OC)cc2)c1=O ZINC000002308663 569372735 /nfs/dbraw/zinc/37/27/35/569372735.db2.gz RRHRGUSGSUCBMI-UHFFFAOYSA-N 0 0 413.481 4.401 50 5 HIBARN Cc1ccc(N2C[C@H](C(=O)OCc3ccc(Cl)cc3Cl)CC2=O)cc1[N+](=O)[O-] ZINC000009591759 569393672 /nfs/dbraw/zinc/39/36/72/569393672.db2.gz RFBROOAUPGZDOS-CYBMUJFWSA-N 0 0 423.252 4.306 50 5 HIBARN CC1(C)Cc2c(sc3nc(SCc4ccc([N+](=O)[O-])cc4)nc(N)c32)CO1 ZINC000002447986 569400633 /nfs/dbraw/zinc/40/06/33/569400633.db2.gz HGSIQMPGJFTHPZ-UHFFFAOYSA-N 0 0 402.501 4.325 50 5 HIBARN Cc1nc2c3c4c(sc3n3c(SCc5ccccc5)nnc3n2n1)CCCC4 ZINC000002449852 569402802 /nfs/dbraw/zinc/40/28/02/569402802.db2.gz YOWNYXYOWJJSAD-UHFFFAOYSA-N 0 0 406.540 4.466 50 5 HIBARN C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1 ZINC000007949555 569403096 /nfs/dbraw/zinc/40/30/96/569403096.db2.gz TVYXYIYENRSESV-FUHWJXTLSA-N 0 0 410.474 4.058 50 5 HIBARN Cc1ccc([N+](=O)[O-])c(OCC(=O)N[C@H](c2cccs2)c2ccc(F)cc2)c1 ZINC000012795645 569403482 /nfs/dbraw/zinc/40/34/82/569403482.db2.gz VETYWHHOQWPSPS-FQEVSTJZSA-N 0 0 400.431 4.388 50 5 HIBARN Cn1cnnc1Sc1ccc(C(=O)Nc2cccc3c2CCCC3)cc1[N+](=O)[O-] ZINC000012817013 569403788 /nfs/dbraw/zinc/40/37/88/569403788.db2.gz TVJQSFLAYNAWCI-UHFFFAOYSA-N 0 0 409.471 4.006 50 5 HIBARN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](c1cccs1)c1ccc(F)cc1 ZINC000012993368 569406068 /nfs/dbraw/zinc/40/60/68/569406068.db2.gz PXEXOSWFLKXKQI-SFHVURJKSA-N 0 0 406.460 4.172 50 5 HIBARN Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000018323949 569414025 /nfs/dbraw/zinc/41/40/25/569414025.db2.gz KZKCFVSLBYPNKW-MYNGYRLFSA-N 0 0 410.429 4.300 50 5 HIBARN O=[N+]([O-])c1cccc([N+](=O)[O-])c1N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000019606441 569425031 /nfs/dbraw/zinc/42/50/31/569425031.db2.gz SQEBFZZDTVBJMB-UHFFFAOYSA-N 0 0 418.453 4.415 50 5 HIBARN COc1ccc(C)cc1NC(=O)COc1c(C)cc(Br)cc1[N+](=O)[O-] ZINC000079058137 569426067 /nfs/dbraw/zinc/42/60/67/569426067.db2.gz GDPXDPCIDJIBFG-UHFFFAOYSA-N 0 0 409.236 4.000 50 5 HIBARN Cc1nc([N+](=O)[O-])c(Sc2nc3cc(Cl)cnc3[nH]2)n1Cc1ccccc1 ZINC000008569025 571082061 /nfs/dbraw/zinc/08/20/61/571082061.db2.gz XERXWANDSCDASX-UHFFFAOYSA-N 0 0 400.851 4.224 50 5 HIBARN COc1ccccc1CNc1ccc(-c2nc(-c3cccnc3)no2)cc1[N+](=O)[O-] ZINC000008587069 571083511 /nfs/dbraw/zinc/08/35/11/571083511.db2.gz UQGBLYFVPJYIOY-UHFFFAOYSA-N 0 0 403.398 4.328 50 5 HIBARN C[C@@H](OC(=O)c1cccc(C(F)(F)F)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000008825296 571121883 /nfs/dbraw/zinc/12/18/83/571121883.db2.gz FQWXJIIONOHGAJ-SECBINFHSA-N 0 0 416.739 4.451 50 5 HIBARN COc1cc(C(=O)N(C)[C@@H](C)c2ccc(Cl)cc2)c([N+](=O)[O-])c(OC)c1OC ZINC000040069910 571150922 /nfs/dbraw/zinc/15/09/22/571150922.db2.gz GXIKUVHIIJUKEB-NSHDSACASA-N 0 0 408.838 4.107 50 5 HIBARN O=[N+]([O-])c1cccc(OCCSc2nnc(-c3ccncc3)n2-c2ccccc2)c1 ZINC000040127242 571179007 /nfs/dbraw/zinc/17/90/07/571179007.db2.gz JWSSUDCWWOPIFA-UHFFFAOYSA-N 0 0 419.466 4.409 50 5 HIBARN O=C1CCc2cc([N+](=O)[O-])c(N3CCC(c4nc5ccccc5s4)CC3)cc2N1 ZINC000040139301 571189093 /nfs/dbraw/zinc/18/90/93/571189093.db2.gz AYVCGOSJBOXJRN-UHFFFAOYSA-N 0 0 408.483 4.473 50 5 HIBARN O=C(COc1ccc2ccccc2c1)N1CCN=C1SCc1ccc([N+](=O)[O-])cc1 ZINC000009381056 571253831 /nfs/dbraw/zinc/25/38/31/571253831.db2.gz UXFFRUVWUHMWCR-UHFFFAOYSA-N 0 0 421.478 4.258 50 5 HIBARN Cc1ccc(NC(=O)CSc2nnc(Nc3ccccc3F)s2)c([N+](=O)[O-])c1 ZINC000009466064 571261047 /nfs/dbraw/zinc/26/10/47/571261047.db2.gz WRFOPXIMHRLXEM-UHFFFAOYSA-N 0 0 419.463 4.368 50 5 HIBARN O=C(Nc1nc(-c2ccc3c(c2)OCCO3)cs1)c1ccc([N+](=O)[O-])cc1Cl ZINC000009536339 571267284 /nfs/dbraw/zinc/26/72/84/571267284.db2.gz MRIIWZBGCZKXKF-UHFFFAOYSA-N 0 0 417.830 4.395 50 5 HIBARN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CCC(c2c[nH]c3ccccc32)CC1 ZINC000010139959 571295434 /nfs/dbraw/zinc/29/54/34/571295434.db2.gz KINDXBAWWFNJKS-OAHLLOKOSA-N 0 0 422.485 4.291 50 5 HIBARN O=C(Nc1nc2ccccc2n1CCOc1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000009113435 571307527 /nfs/dbraw/zinc/30/75/27/571307527.db2.gz LEIHGCGVIKBNFJ-UHFFFAOYSA-N 0 0 420.400 4.415 50 5 HIBARN Cn1c(NC(=O)c2cccc([N+](=O)[O-])c2)ncc1-c1cccc(Br)c1 ZINC000000819533 571310551 /nfs/dbraw/zinc/31/05/51/571310551.db2.gz RKJBWIFGWCPWBL-UHFFFAOYSA-N 0 0 401.220 4.010 50 5 HIBARN O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cccc([N+](=O)[O-])c1)NCc1ccco1 ZINC000003292095 845010718 /nfs/dbraw/zinc/01/07/18/845010718.db2.gz OTPJMCMFSCFONF-VAWYXSNFSA-N 0 0 414.421 4.370 50 5 HIBARN COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000004996647 845076939 /nfs/dbraw/zinc/07/69/39/845076939.db2.gz VXYTVVIREAOALK-RCCKNPSSSA-N 0 0 417.421 4.013 50 5 HIBARN O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000000657428 132230143 /nfs/dbraw/zinc/23/01/43/132230143.db2.gz WPRYQXVRSDKXRE-UHFFFAOYSA-N 0 0 413.783 4.229 50 5 HIBARN O=C(NC(=S)Nc1ccccc1N1CCCCC1)c1ccc([N+](=O)[O-])cc1Cl ZINC000002830686 132258192 /nfs/dbraw/zinc/25/81/92/132258192.db2.gz ZVVNXVQCSNCTMV-UHFFFAOYSA-N 0 0 418.906 4.365 50 5 HIBARN Cc1ccc(N(Cc2ccco2)C(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1 ZINC000004140059 132272134 /nfs/dbraw/zinc/27/21/34/132272134.db2.gz UDDONPZEVMVALU-UHFFFAOYSA-N 0 0 421.453 4.180 50 5 HIBARN O=C(Nc1ccc(Oc2ccccc2)cc1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000004331671 132275698 /nfs/dbraw/zinc/27/56/98/132275698.db2.gz KXQXVHPRTJZDHI-UHFFFAOYSA-N 0 0 419.437 4.476 50 5 HIBARN Cc1cc(Cl)ccc1OCCCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000004675870 132282267 /nfs/dbraw/zinc/28/22/67/132282267.db2.gz OQJDKAYHBANYLV-UHFFFAOYSA-N 0 0 417.893 4.064 50 5 HIBARN O=[N+]([O-])c1ccc(N2CCN(c3ccc([N+](=O)[O-])c4cccnc43)CC2)c(Cl)c1 ZINC000004687605 132283429 /nfs/dbraw/zinc/28/34/29/132283429.db2.gz BEFRGOUBCLLNFV-UHFFFAOYSA-N 0 0 413.821 4.031 50 5 HIBARN O=C(Nc1cccc(Br)c1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000008206166 132328818 /nfs/dbraw/zinc/32/88/18/132328818.db2.gz IXPUIJMJOKSLLA-UHFFFAOYSA-N 0 0 404.264 4.212 50 5 HIBARN CN(Cc1nc2ccccc2s1)C(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000009891590 132343934 /nfs/dbraw/zinc/34/39/34/132343934.db2.gz CPCXERJOJGFWCD-UHFFFAOYSA-N 0 0 410.499 4.467 50 5 HIBARN C[C@H](NC(=O)Cc1ccccc1[N+](=O)[O-])c1cccc(NC(=O)c2ccccc2)c1 ZINC000032925181 524991125 /nfs/dbraw/zinc/99/11/25/524991125.db2.gz SQQOTDAYMDVHEG-INIZCTEOSA-N 0 0 403.438 4.267 50 5 HIBARN COc1ccc(S(=O)(=O)Nc2ccccc2N(C)c2ccccc2)cc1[N+](=O)[O-] ZINC000032932359 525090288 /nfs/dbraw/zinc/09/02/88/525090288.db2.gz HVLVAPUYWMLKNB-UHFFFAOYSA-N 0 0 413.455 4.172 50 5 HIBARN Cc1ccc(-c2cc(C(=O)NC[C@H](O)c3ccc([N+](=O)[O-])cc3)c3ccccc3n2)o1 ZINC000040160408 525724356 /nfs/dbraw/zinc/72/43/56/525724356.db2.gz OJQLRPSGGJXXSV-NRFANRHFSA-N 0 0 417.421 4.175 50 5 HIBARN Cc1ccc(-c2cc(C(=O)NC[C@@H](O)c3ccc([N+](=O)[O-])cc3)c3ccccc3n2)o1 ZINC000040160409 525724395 /nfs/dbraw/zinc/72/43/95/525724395.db2.gz OJQLRPSGGJXXSV-OAQYLSRUSA-N 0 0 417.421 4.175 50 5 HIBARN O=C(C[C@@H](c1ccc(F)cc1)N1Cc2ccccc2C1=O)Nc1cccc([N+](=O)[O-])c1 ZINC000020560780 527098022 /nfs/dbraw/zinc/09/80/22/527098022.db2.gz QGFUXLASFRLSSK-NRFANRHFSA-N 0 0 419.412 4.460 50 5 HIBARN CC(C)COc1ccc(C(=O)N2CCN(c3c(Cl)cccc3[N+](=O)[O-])CC2)cc1 ZINC000004749158 535214254 /nfs/dbraw/zinc/21/42/54/535214254.db2.gz NUSIDSUTVRSXJL-UHFFFAOYSA-N 0 0 417.893 4.245 50 5 HIBARN COc1ccc(-c2c3c(nc(C)c2C(C)=O)sc2c4nc(C)nn4cnc23)cc1 ZINC000000643098 557033706 /nfs/dbraw/zinc/03/37/06/557033706.db2.gz CMSHHFWBBVAPSL-UHFFFAOYSA-N 0 0 403.467 4.382 50 5 HIBARN O=C1N[C@H](c2cccc([N+](=O)[O-])c2)Nc2sc3c(c21)CCN(Cc1ccccc1)C3 ZINC000022633531 557269542 /nfs/dbraw/zinc/26/95/42/557269542.db2.gz WDCOULCZNMYDQR-FQEVSTJZSA-N 0 0 420.494 4.069 50 5 HIBARN COc1ccc2c(c1)oc1nc(-c3ccccc3)n(Cc3ccccc3)c(=O)c1c2=O ZINC000002224881 557668374 /nfs/dbraw/zinc/66/83/74/557668374.db2.gz UHTZSZUVGLNSQU-UHFFFAOYSA-N 0 0 410.429 4.227 50 5 HIBARN O=C(CSc1ccc(-c2cccc([N+](=O)[O-])c2)nn1)Nc1ccc(F)cc1F ZINC000004355864 558443337 /nfs/dbraw/zinc/44/33/37/558443337.db2.gz PKLGTWKSUYJFDD-UHFFFAOYSA-N 0 0 402.382 4.061 50 5 HIBARN CCOC(=O)c1c(C)[nH]c(C(=O)OCc2cc(=O)oc3ccc4ccccc4c23)c1C ZINC000004549684 558673711 /nfs/dbraw/zinc/67/37/11/558673711.db2.gz KMKDSTIUFLSAST-UHFFFAOYSA-N 0 0 419.433 4.425 50 5 HIBARN CCOc1cc([N+](=O)[O-])c(C(=O)N2CC=C(c3c[nH]c4ccccc43)CC2)cc1OC ZINC000011075649 558748453 /nfs/dbraw/zinc/74/84/53/558748453.db2.gz ULPYMVCSNLLBAC-UHFFFAOYSA-N 0 0 421.453 4.413 50 5 HIBARN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)NC1(C(F)(F)F)Oc2ccccc2O1 ZINC000004574891 558750778 /nfs/dbraw/zinc/75/07/78/558750778.db2.gz UZLCIFLRHSXFCN-UHFFFAOYSA-N 0 0 403.700 4.057 50 5 HIBARN C[C@H]1c2cc3c(cc2C2(CCCC2)CN1C(=O)c1cccc([N+](=O)[O-])c1)OCCO3 ZINC000011089284 558754423 /nfs/dbraw/zinc/75/44/23/558754423.db2.gz IKPQCMMRHBFRCR-HNNXBMFYSA-N 0 0 408.454 4.395 50 5 HIBARN O=[N+]([O-])c1cc(S(=O)(=O)N2CCCC2)ccc1OCc1cccc2ccccc21 ZINC000004579914 558762319 /nfs/dbraw/zinc/76/23/19/558762319.db2.gz MXPVLGKGKMETLK-UHFFFAOYSA-N 0 0 412.467 4.112 50 5 HIBARN O=[N+]([O-])c1ccc2[nH]c(CSc3nc4cc(Br)ccc4[nH]3)nc2c1 ZINC000004599749 558835319 /nfs/dbraw/zinc/83/53/19/558835319.db2.gz FDSARDDWTKRNBB-UHFFFAOYSA-N 0 0 404.249 4.402 50 5 HIBARN COc1ccc(C(=O)Nc2ccc3nn(-c4cccc(Cl)c4)nc3c2)cc1[N+](=O)[O-] ZINC000013602468 558846718 /nfs/dbraw/zinc/84/67/18/558846718.db2.gz VUYRYOGPDFITFG-UHFFFAOYSA-N 0 0 423.816 4.243 50 5 HIBARN Cc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)C2(C)c4ccccc4C3c3ccccc32)c([N+](=O)[O-])c1 ZINC000013614741 558847170 /nfs/dbraw/zinc/84/71/70/558847170.db2.gz GJCUSBWLHABMDV-VUUXHMSQSA-N 0 0 424.456 4.474 50 5 HIBARN Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1cccc([N+](=O)[O-])c1)N(Cc1ccco1)C3=O ZINC000013769560 558866691 /nfs/dbraw/zinc/86/66/91/558866691.db2.gz XCYZPVNUWKPZRU-HXUWFJFHSA-N 0 0 416.389 4.348 50 5 HIBARN COc1ccc(CC(=O)OCC(=O)c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)cc1 ZINC000013856546 558886412 /nfs/dbraw/zinc/88/64/12/558886412.db2.gz PKNNAFZZXNGKDK-UHFFFAOYSA-N 0 0 421.405 4.364 50 5 HIBARN C[C@H]1CC(=O)N(c2ccc(NCCNc3cccc4ccccc43)c([N+](=O)[O-])c2)C1=O ZINC000004684394 558895078 /nfs/dbraw/zinc/89/50/78/558895078.db2.gz LEWMWBXNBUFRJA-HNNXBMFYSA-N 0 0 418.453 4.171 50 5 HIBARN O=C(Nc1ccc(C(=O)OCc2ccc([N+](=O)[O-])cc2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000021963940 558982736 /nfs/dbraw/zinc/98/27/36/558982736.db2.gz FRZBFQUOPHMZOQ-UHFFFAOYSA-N 0 0 421.365 4.112 50 5 HIBARN COc1ccc2[nH]c3c(c2c1)CCN(C(=O)c1ccco1)[C@@H]3c1ccc([N+](=O)[O-])cc1 ZINC000004751425 559048951 /nfs/dbraw/zinc/04/89/51/559048951.db2.gz XFRIDSFTLUHJFU-JOCHJYFZSA-N 0 0 417.421 4.466 50 5 HIBARN O=C(COc1cccc(-c2noc(-c3ccc([N+](=O)[O-])cc3)n2)c1)Nc1ccccc1 ZINC000033327490 559060265 /nfs/dbraw/zinc/06/02/65/559060265.db2.gz GDJZNAVSLIVPJF-UHFFFAOYSA-N 0 0 416.393 4.329 50 5 HIBARN Cc1c(C(=O)OCC(=O)Nc2ccccc2Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000004846694 559189810 /nfs/dbraw/zinc/18/98/10/559189810.db2.gz PVGHIRNFMWVOMX-UHFFFAOYSA-N 0 0 404.422 4.290 50 5 HIBARN Cc1ccc(NC(=O)COc2ccc(C(=O)c3ccc(F)cc3)cc2)c([N+](=O)[O-])c1 ZINC000004846822 559190089 /nfs/dbraw/zinc/19/00/89/559190089.db2.gz NJCGYBJDQBJCBA-UHFFFAOYSA-N 0 0 408.385 4.291 50 5 HIBARN O=C(CSc1nnc(Nc2ccccc2F)s1)Nc1ccccc1[N+](=O)[O-] ZINC000004986259 559224025 /nfs/dbraw/zinc/22/40/25/559224025.db2.gz ABZGKPDRRXERTQ-UHFFFAOYSA-N 0 0 405.436 4.060 50 5 HIBARN O=C(COC(=O)c1ccc([N+](=O)[O-])s1)Nc1ccc(OCc2ccccc2)cc1 ZINC000005020824 559229214 /nfs/dbraw/zinc/22/92/14/559229214.db2.gz XOGUEGRQFJIGJP-UHFFFAOYSA-N 0 0 412.423 4.031 50 5 HIBARN Cc1ccc(/C=C(/NC(=O)c2cccc([N+](=O)[O-])c2)C(=O)Nc2ccc(C)cc2)o1 ZINC000005061384 559239267 /nfs/dbraw/zinc/23/92/67/559239267.db2.gz JFZGCWRFABGSLK-DEDYPNTBSA-N 0 0 405.410 4.214 50 5 HIBARN O=C(NCCc1csc(-c2cccc(F)c2)n1)c1ccc([N+](=O)[O-])cc1Cl ZINC000005137520 559250288 /nfs/dbraw/zinc/25/02/88/559250288.db2.gz CCHUNOPYIKJNPX-UHFFFAOYSA-N 0 0 405.838 4.483 50 5 HIBARN O=C(Nc1ccccc1)c1ccccc1Nc1ccn2c(n1)nc1ccccc1c2=O ZINC000100671746 559252069 /nfs/dbraw/zinc/25/20/69/559252069.db2.gz LWHJAWUZYWNCJD-UHFFFAOYSA-N 0 0 407.433 4.239 50 5 HIBARN Cn1c2c(cccc2F)s/c1=N\C(=O)c1cc2c(ccc3ccccc32)oc1=O ZINC000100704026 559258454 /nfs/dbraw/zinc/25/84/54/559258454.db2.gz LDEBIVHMNXECRY-GYHWCHFESA-N 0 0 404.422 4.380 50 5 HIBARN O=C(Nc1cccc(F)c1)/C(=C/c1cccc([N+](=O)[O-])c1)NC(=O)c1cccs1 ZINC000005196401 559291833 /nfs/dbraw/zinc/29/18/33/559291833.db2.gz ISPDQABUHDEADM-BOPFTXTBSA-N 0 0 411.414 4.205 50 5 HIBARN O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nn1c(=O)c2ccccc2nc1C1CCCCC1 ZINC000005206019 560539438 /nfs/dbraw/zinc/53/94/38/560539438.db2.gz CTBPVWROJQIFAU-BUHFOSPRSA-N 0 0 418.453 4.136 50 5 HIBARN Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1ccc([N+](=O)[O-])cc1)N(c1ccccn1)C3=O ZINC000005215524 560543112 /nfs/dbraw/zinc/54/31/12/560543112.db2.gz ZXNZDIVDRZFHTC-HXUWFJFHSA-N 0 0 413.389 4.154 50 5 HIBARN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1cccc(N2CCCC2=O)c1 ZINC000018080893 560774884 /nfs/dbraw/zinc/77/48/84/560774884.db2.gz GRAVPNSBNGSDLW-UHFFFAOYSA-N 0 0 408.439 4.097 50 5 HIBARN CCOc1ccc(CN(C)C(=O)CNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000005687900 560783970 /nfs/dbraw/zinc/78/39/70/560783970.db2.gz BFFHCQHURCKNLR-UHFFFAOYSA-N 0 0 411.380 4.083 50 5 HIBARN C[C@H](OC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000108840358 568419602 /nfs/dbraw/zinc/41/96/02/568419602.db2.gz ULPZTYOBUTUAEV-YRBFXIGRSA-N 0 0 414.458 4.341 50 5 HIBARN CCOC(=O)c1cc(C(=O)N(C2=NC[C@@H](C)S2)C2CCCCC2)cc([N+](=O)[O-])c1 ZINC000048325756 568438665 /nfs/dbraw/zinc/43/86/65/568438665.db2.gz SJOCOMGWJSHFIH-CYBMUJFWSA-N 0 0 419.503 4.038 50 5 HIBARN CCC[C@@H]1CCc2c(sc(NC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)c2C(N)=O)C1 ZINC000000667490 568460064 /nfs/dbraw/zinc/46/00/64/568460064.db2.gz KBOGDXRUAUCMKZ-DPQIITEBSA-N 0 0 413.499 4.312 50 5 HIBARN Cc1ccc(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1I ZINC000000675389 568460983 /nfs/dbraw/zinc/46/09/83/568460983.db2.gz LOHKDEBTODZMHA-UHFFFAOYSA-N 0 0 416.602 4.414 50 5 HIBARN O=C(Nc1c(Br)cc(O)cc1Br)c1ccc([N+](=O)[O-])cc1 ZINC000000716337 568464565 /nfs/dbraw/zinc/46/45/65/568464565.db2.gz MAGJFAGSIAZBMW-UHFFFAOYSA-N 0 0 416.025 4.078 50 5 HIBARN O=C(c1c(Cl)ccc(F)c1F)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000022033540 568473278 /nfs/dbraw/zinc/47/32/78/568473278.db2.gz TUPZBRMIMQMQHE-UHFFFAOYSA-N 0 0 416.211 4.142 50 5 HIBARN O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)Nc1ccc2c3c(cccc31)CC2 ZINC000024871587 568473642 /nfs/dbraw/zinc/47/36/42/568473642.db2.gz ZZVYGULRTHSTFV-UHFFFAOYSA-N 0 0 417.421 4.173 50 5 HIBARN Cc1c2nc(N3CCN(C(=O)c4ccc([N+](=O)[O-])s4)CC3)sc2ccc1Cl ZINC000012342249 568488666 /nfs/dbraw/zinc/48/86/66/568488666.db2.gz CWEYYXPNTILAKB-UHFFFAOYSA-N 0 0 422.919 4.190 50 5 HIBARN COc1ccc(NC(=O)c2cc(C(=O)Nc3ccc(OC)cc3)cc([N+](=O)[O-])c2)cc1 ZINC000000820594 568497829 /nfs/dbraw/zinc/49/78/29/568497829.db2.gz JQBBFMZOFCUGLA-UHFFFAOYSA-N 0 0 421.409 4.117 50 5 HIBARN O=C(N/C(=C/c1ccccc1Cl)C(=O)N1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000000825105 568497990 /nfs/dbraw/zinc/49/79/90/568497990.db2.gz NWWKFZVYDNBMQF-XMHGGMMESA-N 0 0 413.861 4.032 50 5 HIBARN Cc1ccccc1C(=O)N[C@H](Oc1cccc([N+](=O)[O-])c1)C(Cl)(Cl)Cl ZINC000000836809 568514930 /nfs/dbraw/zinc/51/49/30/568514930.db2.gz PLEVTOJXHYZAMK-OAHLLOKOSA-N 0 0 403.649 4.408 50 5 HIBARN O=C(Nc1ccc(F)cc1[N+](=O)[O-])N[C@]1(C(F)(F)F)Oc2ccc(Cl)cc2O1 ZINC000020111966 568588967 /nfs/dbraw/zinc/58/89/67/568588967.db2.gz SGWTVSKHSGJZLY-OAHLLOKOSA-N 0 0 421.690 4.196 50 5 HIBARN CC1=Nc2c(c(=O)[nH]n2[C@H]2CCOC(C)(C)C2)[C@@H](c2cccc([N+](=O)[O-])c2)S1 ZINC000096117538 568696833 /nfs/dbraw/zinc/69/68/33/568696833.db2.gz QQVIJTLARTUFNZ-GOEBONIOSA-N 0 0 402.476 4.101 50 5 HIBARN Cc1cccc(NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)NC(=O)c2cccs2)c1 ZINC000000851252 568711852 /nfs/dbraw/zinc/71/18/52/568711852.db2.gz LCUPIXMKBGZFKY-AQTBWJFISA-N 0 0 407.451 4.374 50 5 aggregator HIBARN Cc1ccc(C(=O)N(CCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC(C)C)cc1 ZINC000096275947 568714880 /nfs/dbraw/zinc/71/48/80/568714880.db2.gz OLBNZNXVXVWJGL-UHFFFAOYSA-N 0 0 408.458 4.294 50 5 HIBARN O=C(c1ccccc1)N(CCc1nc(-c2cccc([N+](=O)[O-])c2)no1)Cc1ccco1 ZINC000096277404 568716118 /nfs/dbraw/zinc/71/61/18/568716118.db2.gz MMNFJZLFSKODLY-UHFFFAOYSA-N 0 0 418.409 4.123 50 5 HIBARN CC1=C(C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H](c2ccc(C(C)(C)C)cc2)NC(=O)N1 ZINC000005782289 568718815 /nfs/dbraw/zinc/71/88/15/568718815.db2.gz RWWHTZPKGIYWHJ-LJQANCHMSA-N 0 0 408.458 4.159 50 5 HIBARN CC[C@H](C)[C@H](NC(=O)Cc1ccc(F)cc1)c1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000096290226 568720112 /nfs/dbraw/zinc/72/01/12/568720112.db2.gz VNIFIIVRPUFESN-DJJJIMSYSA-N 0 0 412.421 4.230 50 5 HIBARN O=C(COc1ccc(Cl)cc1[N+](=O)[O-])Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC000025098724 568749593 /nfs/dbraw/zinc/74/95/93/568749593.db2.gz BYSJQPXFAYQGBV-UHFFFAOYSA-N 0 0 404.806 4.307 50 5 HIBARN COC(=O)c1c(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)sc2c1CC[C@H](C)C2 ZINC000000943842 568752903 /nfs/dbraw/zinc/75/29/03/568752903.db2.gz UGNRROYYFLMPMP-VIFPVBQESA-N 0 0 408.863 4.473 50 5 HIBARN O=C(CSc1nc2cc([N+](=O)[O-])ccc2[nH]1)Nc1ccc(OC(F)(F)F)cc1 ZINC000001085849 568767606 /nfs/dbraw/zinc/76/76/06/568767606.db2.gz VQOHEUQPYSWHBC-UHFFFAOYSA-N 0 0 412.349 4.101 50 5 HIBARN Cc1ccc(N2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2cccc([N+](=O)[O-])c2)nc1 ZINC000001113135 568770600 /nfs/dbraw/zinc/77/06/00/568770600.db2.gz VDAIOZAVBQLKGS-HXUWFJFHSA-N 0 0 413.389 4.154 50 5 HIBARN Cc1c(C(=O)Nc2ccccc2C(=O)NCCc2ccccc2)cccc1[N+](=O)[O-] ZINC000001119426 568770926 /nfs/dbraw/zinc/77/09/26/568770926.db2.gz GIGMVRXYSZCHEJ-UHFFFAOYSA-N 0 0 403.438 4.128 50 5 HIBARN COc1ccc(O[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)[C@H]2c2ccccc2OC)cc1 ZINC000001145874 568772568 /nfs/dbraw/zinc/77/25/68/568772568.db2.gz MOWWIWJKBDEMHS-VXKWHMMOSA-N 0 0 420.421 4.148 50 5 HIBARN O=[N+]([O-])c1cccc([C@H]2SCCN2S(=O)(=O)c2cccc(C(F)(F)F)c2)c1 ZINC000002477820 568774201 /nfs/dbraw/zinc/77/42/01/568774201.db2.gz KVRUOLTXHWQENU-OAHLLOKOSA-N 0 0 418.418 4.050 50 5 HIBARN CCc1ccccc1NC(=O)c1ccc2c(c1)C(=O)N(c1cccc([N+](=O)[O-])c1)C2=O ZINC000001161698 568775289 /nfs/dbraw/zinc/77/52/89/568775289.db2.gz GSCGVGGQPUCHOK-UHFFFAOYSA-N 0 0 415.405 4.210 50 5 HIBARN CC(=O)N(c1nc(Cn2c(=O)oc3ccc([N+](=O)[O-])cc32)cs1)c1cccc(C)c1 ZINC000028005409 568776673 /nfs/dbraw/zinc/77/66/73/568776673.db2.gz FKZZSUGROZEZIZ-UHFFFAOYSA-N 0 0 424.438 4.001 50 5 HIBARN CCOC(=O)c1c(C)c(C)sc1NC(=O)[C@@H](C)Oc1ccc(C)cc1[N+](=O)[O-] ZINC000002743208 568805802 /nfs/dbraw/zinc/80/58/02/568805802.db2.gz DCSHLQCTBVPQCM-GFCCVEGCSA-N 0 0 406.460 4.164 50 5 HIBARN COc1ccc(C(=O)Nc2ccccc2C(=O)OCc2cccc([N+](=O)[O-])c2)cc1 ZINC000002844571 568812896 /nfs/dbraw/zinc/81/28/96/568812896.db2.gz AFUVJVDMLQKXFX-UHFFFAOYSA-N 0 0 406.394 4.213 50 5 HIBARN NC(=O)c1c(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)sc2c1CCCCCC2 ZINC000002922295 568816743 /nfs/dbraw/zinc/81/67/43/568816743.db2.gz IFHXVZUOCFPLMA-UHFFFAOYSA-N 0 0 407.879 4.320 50 5 HIBARN O=C1CS[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)N1c1cccc(C(F)(F)F)c1 ZINC000002949854 568820706 /nfs/dbraw/zinc/82/07/06/568820706.db2.gz LJANXXQGEJOLHI-MRXNPFEDSA-N 0 0 412.345 4.121 50 5 HIBARN O=C(/C=C/c1cccc([N+](=O)[O-])c1)NC(=S)Nc1ccc2c3c(cccc31)CC2 ZINC000001182506 568821642 /nfs/dbraw/zinc/82/16/42/568821642.db2.gz BXTINENBWXUBTM-KPKJPENVSA-N 0 0 403.463 4.373 50 5 HIBARN Cc1nn(C(=O)COc2ccc(F)cc2)c(C)c1Sc1ccccc1[N+](=O)[O-] ZINC000001188538 568821847 /nfs/dbraw/zinc/82/18/47/568821847.db2.gz ISDNZKZCRPXPOF-UHFFFAOYSA-N 0 0 401.419 4.418 50 5 HIBARN Cc1cc(C(=O)Nc2ccc(-c3nc4ccccc4c(=O)o3)cc2)ccc1[N+](=O)[O-] ZINC000001208323 568823379 /nfs/dbraw/zinc/82/33/79/568823379.db2.gz YIBFBMMCVZJMQX-UHFFFAOYSA-N 0 0 401.378 4.324 50 5 HIBARN Cc1c([N+](=O)[O-])cc(C(=O)Nc2cccc(NC(=O)c3ccccc3)c2)cc1[N+](=O)[O-] ZINC000003001700 568836913 /nfs/dbraw/zinc/83/69/13/568836913.db2.gz WTELRPCFLXNNIG-UHFFFAOYSA-N 0 0 420.381 4.316 50 5 HIBARN O=C(COC(=O)c1c2ccccc2cc2ccccc21)NCc1ccc2c(c1)OCO2 ZINC000003257460 568849154 /nfs/dbraw/zinc/84/91/54/568849154.db2.gz JAWILOCDDVAIQB-UHFFFAOYSA-N 0 0 413.429 4.195 50 5 HIBARN Cc1c(NC(=O)c2ccc([N+](=O)[O-])cc2)cccc1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000003101022 568855180 /nfs/dbraw/zinc/85/51/80/568855180.db2.gz GEBZNBBJCWFBNG-UHFFFAOYSA-N 0 0 420.381 4.316 50 5 HIBARN Cc1nn(CN(C)Cc2cc([N+](=O)[O-])ccc2Cl)c(=S)n1-c1ccccc1 ZINC000012554824 568855242 /nfs/dbraw/zinc/85/52/42/568855242.db2.gz IXLOMUAWZHWXTF-UHFFFAOYSA-N 0 0 403.895 4.363 50 5 HIBARN CCCCOc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000012564127 568859505 /nfs/dbraw/zinc/85/95/05/568859505.db2.gz FVSYEWBPYWMSJQ-HXUWFJFHSA-N 0 0 424.457 4.040 50 5 HIBARN Cc1nn(-c2ccccc2)c2sc(C(=O)OCC(=O)c3ccc([N+](=O)[O-])cc3)cc12 ZINC000003530547 568861862 /nfs/dbraw/zinc/86/18/62/568861862.db2.gz UELFRUOSUAPKBL-UHFFFAOYSA-N 0 0 421.434 4.343 50 5 HIBARN C[C@H](OC(=O)c1ccc([N+](=O)[O-])o1)C(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000003232999 568865126 /nfs/dbraw/zinc/86/51/26/568865126.db2.gz LTPNSKZWIXJZOX-LURJTMIESA-N 0 0 407.593 4.332 50 5 HIBARN O=C(COC(=O)Cc1ccccc1[N+](=O)[O-])Nc1cc(Cl)c(Cl)cc1Cl ZINC000003235536 568865505 /nfs/dbraw/zinc/86/55/05/568865505.db2.gz MBNCLPWCAFQTLB-UHFFFAOYSA-N 0 0 417.632 4.279 50 5 HIBARN CC(=O)C(Sc1ccccc1[N+](=O)[O-])(Sc1ccccc1[N+](=O)[O-])C(C)=O ZINC000003259867 568868790 /nfs/dbraw/zinc/86/87/90/568868790.db2.gz WJZCRNJHUWWGPO-UHFFFAOYSA-N 0 0 406.441 4.262 50 5 HIBARN O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)C(c1ccccc1)c1ccccc1 ZINC000003300196 568875935 /nfs/dbraw/zinc/87/59/35/568875935.db2.gz FSCSTSRAZFMTLH-UHFFFAOYSA-N 0 0 405.406 4.337 50 5 HIBARN O=C(N[C@@H](Nc1ccccc1F)C(Cl)(Cl)Cl)c1cccc([N+](=O)[O-])c1 ZINC000001230966 568877735 /nfs/dbraw/zinc/87/77/35/568877735.db2.gz BTYUEONGYNKCHG-CQSZACIVSA-N 0 0 406.628 4.272 50 5 HIBARN O=C(Nc1ccccc1)[C@@H](c1ccccc1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000030911744 568901313 /nfs/dbraw/zinc/90/13/13/568901313.db2.gz WNAJGQZBSPBHAL-HSZRJFAPSA-N 0 0 416.481 4.097 50 5 HIBARN Cc1cc(C(=O)COc2ncnc3cc([N+](=O)[O-])ccc32)c(C)n1Cc1cccs1 ZINC000003449564 568905276 /nfs/dbraw/zinc/90/52/76/568905276.db2.gz KKDVSIDKIFZFFI-UHFFFAOYSA-N 0 0 422.466 4.328 50 5 HIBARN C[C@@]12C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]1C1c3ccccc3C2c2ccccc21 ZINC000004109396 568908443 /nfs/dbraw/zinc/90/84/43/568908443.db2.gz SPXYTUUSOLDXHY-YQDNHFOKSA-N 0 0 410.429 4.382 50 5 HIBARN COCCN(CC(F)F)C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000058323792 568911418 /nfs/dbraw/zinc/91/14/18/568911418.db2.gz FIJIRMJZHRKWHD-UHFFFAOYSA-N 0 0 414.792 4.394 50 5 HIBARN CCOC(=O)C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccccc1Cl ZINC000003622647 568920644 /nfs/dbraw/zinc/92/06/44/568920644.db2.gz CFQBPKDNBQQDIB-MRXNPFEDSA-N 0 0 411.241 4.326 50 5 HIBARN COc1ccc(/C=C/C(=O)Nc2ccc([N+](=O)[O-])cc2OC)cc1Br ZINC000004038148 568934607 /nfs/dbraw/zinc/93/46/07/568934607.db2.gz ZVLKNMHBAQOLIY-XBXARRHUSA-N 0 0 407.220 4.026 50 5 HIBARN C[C@@H](NC(=O)CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc2ccccc2c1 ZINC000012794021 568969365 /nfs/dbraw/zinc/96/93/65/568969365.db2.gz OFIFXMUIIIPKKI-CYBMUJFWSA-N 0 0 411.845 4.009 50 5 HIBARN O=C(NC[C@H](c1ccco1)N1CCc2ccccc21)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004305105 568976929 /nfs/dbraw/zinc/97/69/29/568976929.db2.gz PJNAHZDEASOGLT-LJQANCHMSA-N 0 0 411.845 4.375 50 5 HIBARN COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccccc1OCCOc1ccccc1 ZINC000008158125 568977497 /nfs/dbraw/zinc/97/74/97/568977497.db2.gz DTDYVEOESIGRKM-UHFFFAOYSA-N 0 0 408.410 4.314 50 5 HIBARN C[C@@H](Oc1ccccc1[N+](=O)[O-])C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC000008312176 568988959 /nfs/dbraw/zinc/98/89/59/568988959.db2.gz JOHDYSDZFOTSMK-SNVBAGLBSA-N 0 0 405.382 4.403 50 5 HIBARN C[C@@H](c1nc2ccccc2s1)N(C)C(=O)/C=C/c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000008347562 568994868 /nfs/dbraw/zinc/99/48/68/568994868.db2.gz MGEDIDDAAGIYJJ-GUOLPTJISA-N 0 0 411.439 4.166 50 5 HIBARN Cc1ccc(-n2ccnc2SCC(=O)Nc2cc([N+](=O)[O-])ccc2F)c(C)c1 ZINC000006081170 568996073 /nfs/dbraw/zinc/99/60/73/568996073.db2.gz WHDXIRALRANGEO-UHFFFAOYSA-N 0 0 400.435 4.267 50 5 HIBARN CSc1ccc(C(=O)c2ccccc2C(=O)NCc2ccccc2)cc1[N+](=O)[O-] ZINC000006084485 568997192 /nfs/dbraw/zinc/99/71/92/568997192.db2.gz JZQBODPTNAKNQP-UHFFFAOYSA-N 0 0 406.463 4.478 50 5 HIBARN O=c1c2ccccc2nc(/C=C/c2ccc([N+](=O)[O-])cc2)n1-c1ccc([N+](=O)[O-])cc1 ZINC000008397798 568998176 /nfs/dbraw/zinc/99/81/76/568998176.db2.gz XIAOWSGJPRXENW-VGOFMYFVSA-N 0 0 414.377 4.373 50 5 HIBARN COc1cc([N+](=O)[O-])ccc1NC(=O)[C@H](C)Sc1nc(C)c(C)n1CC(C)C ZINC000008424704 569001966 /nfs/dbraw/zinc/00/19/66/569001966.db2.gz ATGVDZPMHNTKGT-AWEZNQCLSA-N 0 0 406.508 4.192 50 5 HIBARN Cc1ccc2c(c1)[C@@H](c1ccccc1)N(C(=O)c1ccc([N+](=O)[O-])cc1)CC(=O)N2 ZINC000001509779 569007583 /nfs/dbraw/zinc/00/75/83/569007583.db2.gz NLQMJYZMTNDJPS-JOCHJYFZSA-N 0 0 401.422 4.087 50 5 HIBARN COc1ccc(C(=O)Nc2cc(-c3nnc4n3CCCCC4)ccc2C)cc1[N+](=O)[O-] ZINC000012901969 569020827 /nfs/dbraw/zinc/02/08/27/569020827.db2.gz XTPJHXOPTQZYCB-UHFFFAOYSA-N 0 0 421.457 4.149 50 5 HIBARN COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCc2sccc2[C@@H]1c1ccccc1 ZINC000012927048 569023861 /nfs/dbraw/zinc/02/38/61/569023861.db2.gz GYFUEMBJIMXGNO-QFIPXVFZSA-N 0 0 423.494 4.251 50 5 HIBARN O=C(Cn1cc([N+](=O)[O-])cn1)Nc1nc(-c2cccs2)c(-c2cccs2)s1 ZINC000012931543 569024754 /nfs/dbraw/zinc/02/47/54/569024754.db2.gz NPMTXJZNJCWVLJ-UHFFFAOYSA-N 0 0 417.497 4.344 50 5 HIBARN COc1cc(C(=O)Oc2cc(C)ccc2[N+](=O)[O-])ccc1OCc1csc(C)n1 ZINC000012931431 569024800 /nfs/dbraw/zinc/02/48/00/569024800.db2.gz CIKRGUPLRFJENK-UHFFFAOYSA-N 0 0 414.439 4.475 50 5 HIBARN C[C@@H]1CN(c2ccc(C(=O)c3ccc(Br)cc3)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000016286171 569030385 /nfs/dbraw/zinc/03/03/85/569030385.db2.gz DQDFSZDUGJPFJC-BETUJISGSA-N 0 0 419.275 4.202 50 5 HIBARN Cc1nnc(SCC(=O)Nc2cc([N+](=O)[O-])ccc2C)n1-c1cccc(Cl)c1 ZINC000006280736 569037336 /nfs/dbraw/zinc/03/73/36/569037336.db2.gz YBUROQRZKNAUBY-UHFFFAOYSA-N 0 0 417.878 4.177 50 5 HIBARN CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000001904200 569057752 /nfs/dbraw/zinc/05/77/52/569057752.db2.gz NYBNQXYJJSOLON-UHFFFAOYSA-N 0 0 410.835 4.250 50 5 HIBARN Cc1nn([C@@H](C)C(=O)Nc2nc(C34CC5CC(CC(C5)C3)C4)cs2)cc1[N+](=O)[O-] ZINC000006527465 569063215 /nfs/dbraw/zinc/06/32/15/569063215.db2.gz ZUNDGMDFOWQNPC-PGBBXINNSA-N 0 0 415.519 4.224 50 5 HIBARN C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)CC(=O)NCCSc1ccc(Cl)cc1 ZINC000016695420 569070500 /nfs/dbraw/zinc/07/05/00/569070500.db2.gz GSSVJDOCWCYDSQ-AWEZNQCLSA-N 0 0 407.923 4.150 50 5 HIBARN Cc1ccc(NC(=O)c2cc([N+](=O)[O-])cc3c2-c2ccc([N+](=O)[O-])cc2C3=O)cc1 ZINC000002051108 569072158 /nfs/dbraw/zinc/07/21/58/569072158.db2.gz XIXHPRRDRGODME-UHFFFAOYSA-N 0 0 403.350 4.275 50 5 HIBARN O=[N+]([O-])c1cccc(S(=O)(=O)N(Cc2ccc(F)cc2)c2cccc(F)c2)c1 ZINC000036247480 569116979 /nfs/dbraw/zinc/11/69/79/569116979.db2.gz ZJKNNTSCNDHIET-UHFFFAOYSA-N 0 0 404.394 4.269 50 5 HIBARN C[C@H](Nc1cccc(OC[C@H]2CCCO2)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000036394230 569168011 /nfs/dbraw/zinc/16/80/11/569168011.db2.gz RVWNRSHFJCMYJM-SUMWQHHRSA-N 0 0 419.865 4.245 50 5 HIBARN CCOC(=O)c1c(C)n(C)c2ccc(OC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc21 ZINC000006962263 569190820 /nfs/dbraw/zinc/19/08/20/569190820.db2.gz NROSHZPWEUUFRE-UHFFFAOYSA-N 0 0 416.817 4.444 50 5 HIBARN CCCn1c(CN2CCCC2)nc2cc(NC(=O)c3ccc([N+](=O)[O-])cc3)ccc21 ZINC000065322476 569224568 /nfs/dbraw/zinc/22/45/68/569224568.db2.gz OVNYSXLFZWHXLX-UHFFFAOYSA-N 0 0 407.474 4.203 50 5 HIBARN Cc1cc(NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)n(-c2cc(C)cc(C)c2)n1 ZINC000065721562 569246207 /nfs/dbraw/zinc/24/62/07/569246207.db2.gz MTFWPFOYZJZQRM-UHFFFAOYSA-N 0 0 403.442 4.299 50 5 HIBARN Cc1cc(OCC(=O)N[C@@H](c2cccs2)c2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC000007549485 569248908 /nfs/dbraw/zinc/24/89/08/569248908.db2.gz BOTQWZDGLMENIG-HXUWFJFHSA-N 0 0 400.431 4.388 50 5 HIBARN CCOc1ccc(C(=O)Nc2ccc3nn(-c4ccc(F)cc4)nc3c2)cc1[N+](=O)[O-] ZINC000002198680 569293688 /nfs/dbraw/zinc/29/36/88/569293688.db2.gz JISAYBIWZGKEIJ-UHFFFAOYSA-N 0 0 421.388 4.119 50 5 HIBARN Cc1ccc(-n2c(SCc3ccc([N+](=O)[O-])cc3)nnc2-c2cnccn2)cc1 ZINC000002212713 569299476 /nfs/dbraw/zinc/29/94/76/569299476.db2.gz CUOXXKNVAOUNCB-UHFFFAOYSA-N 0 0 404.455 4.233 50 5 HIBARN O=[N+]([O-])c1ccccc1C1=NN(S(=O)(=O)c2ccccc2)[C@@H](c2cccs2)C1 ZINC000241171106 569302533 /nfs/dbraw/zinc/30/25/33/569302533.db2.gz KEGFTQWRHDBQGE-GOSISDBHSA-N 0 0 413.480 4.196 50 5 HIBARN Cn1c(=O)nc2n(-c3ccc(Cl)c(Cl)c3)c3cccc(Cl)c3cc-2c1=O ZINC000002230507 569319728 /nfs/dbraw/zinc/31/97/28/569319728.db2.gz QFKCXOXDWNDHIC-UHFFFAOYSA-N 0 0 406.656 4.149 50 5 HIBARN COc1ccc2c(c1)oc1nc(-c3ccc(C)cc3)n(-c3ccccc3)c(=O)c1c2=O ZINC000002242161 569323670 /nfs/dbraw/zinc/32/36/70/569323670.db2.gz BGEQQURDLIUDMI-UHFFFAOYSA-N 0 0 410.429 4.476 50 5 HIBARN O=C(NC(=S)Nc1cc([N+](=O)[O-])ccc1Cl)c1ccccc1Br ZINC000002307317 569372062 /nfs/dbraw/zinc/37/20/62/569372062.db2.gz MQNMSJXSZNIJKM-UHFFFAOYSA-N 0 0 414.668 4.138 50 5 HIBARN COc1ccc(-c2nc3ccccc3c(=O)n2CCOc2ccccc2[N+](=O)[O-])cc1 ZINC000002347874 569379433 /nfs/dbraw/zinc/37/94/33/569379433.db2.gz RDUCECJFYRKCJX-UHFFFAOYSA-N 0 0 417.421 4.059 50 5 HIBARN Cc1cccc(NC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)n1 ZINC000027655515 569388166 /nfs/dbraw/zinc/38/81/66/569388166.db2.gz NKOMKPSGCXBXBV-UHFFFAOYSA-N 0 0 408.380 4.172 50 5 HIBARN O=[N+]([O-])c1c2nonc2c(Cl)cc1Nc1ccccc1I ZINC000008931830 569391072 /nfs/dbraw/zinc/39/10/72/569391072.db2.gz CRPMPIWOSMLBQL-UHFFFAOYSA-N 0 0 416.562 4.133 50 5 HIBARN COC(=O)c1cnc(Sc2ccccc2NC(=O)c2cccs2)c([N+](=O)[O-])c1 ZINC000012370027 569400348 /nfs/dbraw/zinc/40/03/48/569400348.db2.gz MVHMFQDFOCNCLH-UHFFFAOYSA-N 0 0 415.452 4.241 50 5 HIBARN C[C@@H](NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccc(Br)cc1 ZINC000012383688 569400740 /nfs/dbraw/zinc/40/07/40/569400740.db2.gz FVMJZXCEFISPLW-SECBINFHSA-N 0 0 419.684 4.050 50 5 HIBARN O=[N+]([O-])c1cc2c(cc1C1N(Cc3ccccc3)CCN1Cc1ccccc1)OCO2 ZINC000019324084 569417285 /nfs/dbraw/zinc/41/72/85/569417285.db2.gz ZUALOPHHOJXVHS-UHFFFAOYSA-N 0 0 417.465 4.340 50 5 HIBARN CCOC(=O)c1cc(C(=O)c2cccc([N+](=O)[O-])c2)n2cnc3cc(Cl)ccc3c12 ZINC000019800547 569430385 /nfs/dbraw/zinc/43/03/85/569430385.db2.gz ZFLRSDFZYAKGPX-UHFFFAOYSA-N 0 0 423.812 4.457 50 5 HIBARN O=C(COC(=O)c1cc(Cl)ccc1[N+](=O)[O-])NCc1ccc(Cl)cc1Cl ZINC000008692205 571102256 /nfs/dbraw/zinc/10/22/56/571102256.db2.gz NNJQYUPJPSFQFX-UHFFFAOYSA-N 0 0 417.632 4.028 50 5 HIBARN O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc(NC(=O)c2ccco2)c(Cl)c1 ZINC000008742944 571110191 /nfs/dbraw/zinc/11/01/91/571110191.db2.gz LOCOGECMGJRXPB-UHFFFAOYSA-N 0 0 415.789 4.111 50 5 HIBARN Cc1ccc(NC(=O)C2=C(C)NC(=O)N[C@@H]2c2ccc(Cl)c([N+](=O)[O-])c2)cc1C ZINC000008843884 571124604 /nfs/dbraw/zinc/12/46/04/571124604.db2.gz RPDQSZZKWMMGEO-GOSISDBHSA-N 0 0 414.849 4.132 50 5 HIBARN O=[N+]([O-])c1ccc(N2C(=S)N3CCCN3[C@H]2c2ccc(Br)cc2)cc1 ZINC000008846709 571125717 /nfs/dbraw/zinc/12/57/17/571125717.db2.gz DTKDZTRLCCSDEB-MRXNPFEDSA-N 0 0 419.304 4.084 50 5 HIBARN CS(=O)(=O)c1ccc(Nc2ccc3c(c2)OC2(CCCCC2)O3)c([N+](=O)[O-])c1 ZINC000040019911 571139037 /nfs/dbraw/zinc/13/90/37/571139037.db2.gz JTGZHXNNJRTCEF-UHFFFAOYSA-N 0 0 404.444 4.174 50 5 HIBARN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1Cn1nc(-c2ccncc2)n(C2CC2)c1=S ZINC000040091182 571161229 /nfs/dbraw/zinc/16/12/29/571161229.db2.gz HOKRSYKJVVORMW-CYBMUJFWSA-N 0 0 408.487 4.128 50 5 HIBARN O=[N+]([O-])c1cccc(OCCSc2nnc(Cc3cccs3)n2C2CC2)c1 ZINC000040127725 571179440 /nfs/dbraw/zinc/17/94/40/571179440.db2.gz RHIWQMCSGMTWFQ-UHFFFAOYSA-N 0 0 402.501 4.345 50 5 HIBARN COc1ccc([N+](=O)[O-])cc1NC(=O)COc1cc(C)c(Br)c(C)c1C ZINC000009190796 571235451 /nfs/dbraw/zinc/23/54/51/571235451.db2.gz YETPIYPQECQNPW-UHFFFAOYSA-N 0 0 423.263 4.309 50 5 HIBARN Cc1cc(Cl)ccc1OCCCC(=O)OCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000009507523 571263780 /nfs/dbraw/zinc/26/37/80/571263780.db2.gz AKOKNDCPVXIHLK-UHFFFAOYSA-N 0 0 421.833 4.326 50 5 HIBARN CC(C)N(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000009582042 571270985 /nfs/dbraw/zinc/27/09/85/571270985.db2.gz CPKUCLFFXGAIOX-UHFFFAOYSA-N 0 0 414.849 4.278 50 5 HIBARN C[C@@H](OC(=O)c1nc(Cl)ccc1Cl)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000009645846 571276239 /nfs/dbraw/zinc/27/62/39/571276239.db2.gz JXWAUSWNEPZMHK-SSDOTTSWSA-N 0 0 418.620 4.134 50 5 HIBARN CCCCc1ccc(NC(=O)c2ccc(=O)n(Cc3cccc([N+](=O)[O-])c3)c2)cc1 ZINC000010187923 571296235 /nfs/dbraw/zinc/29/62/35/571296235.db2.gz KVNMWYFSPXABSW-UHFFFAOYSA-N 0 0 405.454 4.400 50 5 HIBARN C[C@H]1c2cc3c(cc2C2(CCCC2)CN1C(=O)c1ccc([N+](=O)[O-])cc1)OCCO3 ZINC000010367942 571301352 /nfs/dbraw/zinc/30/13/52/571301352.db2.gz JBUYFBPXGOBJKP-HNNXBMFYSA-N 0 0 408.454 4.395 50 5 HIBARN Cc1ccc(-c2csc(NC(=S)NC(=O)c3cccc([N+](=O)[O-])c3C)n2)cc1 ZINC000009087231 571307943 /nfs/dbraw/zinc/30/79/43/571307943.db2.gz XIOYLLPGMHJHJS-UHFFFAOYSA-N 0 0 412.496 4.462 50 5 HIBARN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)OCC(=O)Nc1ccccc1-c1ccccc1 ZINC000002649444 845008599 /nfs/dbraw/zinc/00/85/99/845008599.db2.gz SLNXKEKPRCMLEC-NTCAYCPXSA-N 0 0 402.406 4.457 50 5 HIBARN COc1ccc(O[C@H](NC(=O)c2ccccc2[N+](=O)[O-])C(Cl)(Cl)Cl)cc1 ZINC000022205052 846544533 /nfs/dbraw/zinc/54/45/33/846544533.db2.gz GHSSTSBTIWNDOL-HNNXBMFYSA-N 0 0 419.648 4.109 50 5 HIBARN O=C(/C=C\c1ccc(Cl)c([N+](=O)[O-])c1)N1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000096926754 852559183 /nfs/dbraw/zinc/55/91/83/852559183.db2.gz CASJCGARNGLWHU-SLWQEBJJSA-N 0 0 413.861 4.139 50 5 HIBARN C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)C1CCN(C(=O)/C=C\c2ccccc2)CC1 ZINC000097998371 852649156 /nfs/dbraw/zinc/64/91/56/852649156.db2.gz MWUHCWZGZYFWRH-YUIUBULTSA-N 0 0 421.497 4.066 50 5 HIBARN Cc1cccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(NCc4ccco4)c3)CC2)c1 ZINC000004663711 132281614 /nfs/dbraw/zinc/28/16/14/132281614.db2.gz XPBKNAHKULWJSX-UHFFFAOYSA-N 0 0 420.469 4.071 50 5 HIBARN C[C@@H](Nc1cc(N2CCN(C(=O)C(C)(C)C)CC2)ccc1[N+](=O)[O-])c1ccccc1 ZINC000004687439 132283295 /nfs/dbraw/zinc/28/32/95/132283295.db2.gz AOEUOUVVHBEYDQ-QGZVFWFLSA-N 0 0 410.518 4.463 50 5 HIBARN CC(C)CC(=O)N1CCN(c2ccc([N+](=O)[O-])c(N[C@@H](C)c3ccccc3)c2)CC1 ZINC000004688236 132283488 /nfs/dbraw/zinc/28/34/88/132283488.db2.gz SXXZOEIIAUFTSI-SFHVURJKSA-N 0 0 410.518 4.463 50 5 HIBARN O=[N+]([O-])c1ccc(N2CCN(c3ccc(Cl)cc3[N+](=O)[O-])CC2)c2ncccc12 ZINC000004820010 132289540 /nfs/dbraw/zinc/28/95/40/132289540.db2.gz NHISFSJTHSCYFI-UHFFFAOYSA-N 0 0 413.821 4.031 50 5 HIBARN O=C1c2cccc3c2c(cc([N+](=O)[O-])c3N2CCCCC2)C(=O)N1c1cccc(O)c1 ZINC000004949571 132296917 /nfs/dbraw/zinc/29/69/17/132296917.db2.gz SBIRODUXUQEOOX-UHFFFAOYSA-N 0 0 417.421 4.245 50 5 HIBARN Cc1cc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)ccc1[N+](=O)[O-] ZINC000004958050 132296945 /nfs/dbraw/zinc/29/69/45/132296945.db2.gz WVKFSUKZXFPNTD-UHFFFAOYSA-N 0 0 409.364 4.011 50 5 HIBARN Cc1ccc(N2C(=O)N(Cc3cccc([N+](=O)[O-])c3)c3ccccc3S2(=O)=O)cc1 ZINC000010272705 132345634 /nfs/dbraw/zinc/34/56/34/132345634.db2.gz GVCWYUTVELYEMM-UHFFFAOYSA-N 0 0 423.450 4.239 50 5 HIBARN CCc1ccc(-c2nc(C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)cs2)cc1 ZINC000012561777 132364017 /nfs/dbraw/zinc/36/40/17/132364017.db2.gz RSISKBRFPAQLJQ-UHFFFAOYSA-N 0 0 422.510 4.243 50 5 HIBARN Cc1cc(Br)ccc1NC(=O)CCn1ncc2ccc([N+](=O)[O-])cc21 ZINC000032932132 526166338 /nfs/dbraw/zinc/16/63/38/526166338.db2.gz HLQPYBYCHHRQAB-UHFFFAOYSA-N 0 0 403.236 4.044 50 5 HIBARN O=C(C[C@@H](c1cccs1)N1Cc2ccccc2C1=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000020560903 527097910 /nfs/dbraw/zinc/09/79/10/527097910.db2.gz FKHZDXLVLLUSIO-SFHVURJKSA-N 0 0 407.451 4.382 50 5 HIBARN COc1ccc([C@@H]2NC(=O)c3ccccc3N2C)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000019356554 536894098 /nfs/dbraw/zinc/89/40/98/536894098.db2.gz WIKAWOFLHNWCRH-JOCHJYFZSA-N 0 0 419.437 4.061 50 5 HIBARN O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 ZINC000010545508 557443272 /nfs/dbraw/zinc/44/32/72/557443272.db2.gz IUYJHOFYKKGVCA-HNNXBMFYSA-N 0 0 405.458 4.065 50 5 HIBARN COc1ccc(Cn2c(=O)c3c(=O)c4ccccc4oc3nc2-c2ccccc2)cc1 ZINC000002347897 557696324 /nfs/dbraw/zinc/69/63/24/557696324.db2.gz JXIJSXMZUHCCID-UHFFFAOYSA-N 0 0 410.429 4.227 50 5 HIBARN O=C(Oc1ccccc1/C=C1\N=C(c2ccccc2)OC1=O)c1ccc([N+](=O)[O-])cc1 ZINC000008407678 557787031 /nfs/dbraw/zinc/78/70/31/557787031.db2.gz GBZKFHZMBCHOPK-RGEXLXHISA-N 0 0 414.373 4.159 50 5 HIBARN Cc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)C2c4ccccc4C3c3ccccc32)c([N+](=O)[O-])c1 ZINC000004321705 557843645 /nfs/dbraw/zinc/84/36/45/557843645.db2.gz VFMSUVVCNSNFHQ-BBITVKMKSA-N 0 0 410.429 4.300 50 5 HIBARN O=C(Nc1ccc([N+](=O)[O-])cc1)c1cccc(C(=O)Nc2ccc([N+](=O)[O-])cc2)c1 ZINC000004402376 558499462 /nfs/dbraw/zinc/49/94/62/558499462.db2.gz DJBDRLMLMAGJBF-UHFFFAOYSA-N 0 0 406.354 4.008 50 5 HIBARN C[C@H]1Oc2ccc(Nc3ccc(C(=O)c4ccccc4)cc3[N+](=O)[O-])cc2NC1=O ZINC000032808495 558620619 /nfs/dbraw/zinc/62/06/19/558620619.db2.gz TZSSTVKUSOBPAT-CYBMUJFWSA-N 0 0 403.394 4.289 50 5 HIBARN Cc1ccc(C2=N/C(=C\c3cc(Br)ccc3F)C(=O)O2)cc1[N+](=O)[O-] ZINC000004509399 558623043 /nfs/dbraw/zinc/62/30/43/558623043.db2.gz PEXQZPGZVIKPHN-AUWJEWJLSA-N 0 0 405.179 4.149 50 5 HIBARN COc1cc([N+](=O)[O-])ccc1NC(=O)Cn1c2ccccc2c(=O)c2cc(C)ccc21 ZINC000027533595 558674291 /nfs/dbraw/zinc/67/42/91/558674291.db2.gz MXXCHTBKSDEEKH-UHFFFAOYSA-N 0 0 417.421 4.019 50 5 HIBARN CSCC[C@@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)Nc1ccccc1C ZINC000016028904 558769071 /nfs/dbraw/zinc/76/90/71/558769071.db2.gz PSKFGNGWQSJGIF-MRXNPFEDSA-N 0 0 421.906 4.047 50 5 HIBARN Cc1cc(-n2c(C)nc3ccccc3c2=O)ccc1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000004585460 558784181 /nfs/dbraw/zinc/78/41/81/558784181.db2.gz DFXFYRGYGYGEQV-UHFFFAOYSA-N 0 0 414.421 4.163 50 5 HIBARN C[C@@H](Nc1ccc(C(=O)N2CCOCC2)cc1[N+](=O)[O-])c1ccc2ccccc2c1 ZINC000033010734 558830714 /nfs/dbraw/zinc/83/07/14/558830714.db2.gz NXMXJUZGLAOYKN-MRXNPFEDSA-N 0 0 405.454 4.394 50 5 HIBARN Cc1ccc(C(=O)N2CCC[C@@H]2C(=O)Nc2cc(Cl)ccc2Cl)cc1[N+](=O)[O-] ZINC000033133580 558888153 /nfs/dbraw/zinc/88/81/53/558888153.db2.gz BRXUNOGYZVFABZ-MRXNPFEDSA-N 0 0 422.268 4.453 50 5 HIBARN CCCC(=O)OCCNc1cc(SC2CCCCC2)c2nonc2c1[N+](=O)[O-] 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CCOc1ccccc1-n1nnnc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000015130846 568774790 /nfs/dbraw/zinc/77/47/90/568774790.db2.gz MJNSJCNOJKZDHN-UHFFFAOYSA-N 0 0 411.365 4.139 50 5 HIBARN O=c1c2c(nc(SCc3cccc(F)c3)n1-c1ccc([N+](=O)[O-])cc1)CCS2 ZINC000002720089 568802156 /nfs/dbraw/zinc/80/21/56/568802156.db2.gz QPIFWDRSPZSDDU-UHFFFAOYSA-N 0 0 415.471 4.220 50 5 HIBARN Cc1ccc(NC(=O)CSc2nccn2-c2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000002723729 568802811 /nfs/dbraw/zinc/80/28/11/568802811.db2.gz GZSYKTMAYLASJP-UHFFFAOYSA-N 0 0 402.863 4.473 50 5 HIBARN O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1cnn(Cc2c(Cl)cccc2Cl)c1 ZINC000002761657 568807284 /nfs/dbraw/zinc/80/72/84/568807284.db2.gz CSJNFKGSFVGXAR-UHFFFAOYSA-N 0 0 405.241 4.328 50 5 HIBARN O=C(CCC1CCCCC1)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000002830250 568812388 /nfs/dbraw/zinc/81/23/88/568812388.db2.gz JGIQJXYSZHTLDJ-UHFFFAOYSA-N 0 0 423.516 4.183 50 5 HIBARN Cn1c(SCc2ccc(Br)cc2)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000002836285 568812755 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Cc1ccccc1Nc1c2c(cc([N+](=O)[O-])cc2[N+](=O)[O-])[n+]([O-])n1-c1ccccc1C ZINC000008855087 571127694 /nfs/dbraw/zinc/12/76/94/571127694.db2.gz YLWNBESIKDPRMS-UHFFFAOYSA-N 0 0 419.397 4.441 50 5 HIBARN O=C(COc1ccccc1[N+](=O)[O-])N(Cc1ccco1)Cc1ccccc1Cl ZINC000008917196 571153256 /nfs/dbraw/zinc/15/32/56/571153256.db2.gz HRFXFNKVQLSZHA-UHFFFAOYSA-N 0 0 400.818 4.449 50 5 HIBARN COc1ccc(CNc2nnc(SCCOc3cccc([N+](=O)[O-])c3)s2)cc1 ZINC000040127805 571179403 /nfs/dbraw/zinc/17/94/03/571179403.db2.gz KTPKXKLMUHMVNA-UHFFFAOYSA-N 0 0 418.500 4.238 50 5 HIBARN CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CC(C)(C)Cc3oc(C)cc32)cc1OC ZINC000040142581 571193252 /nfs/dbraw/zinc/19/32/52/571193252.db2.gz YRXBIJOUECHQAX-OAHLLOKOSA-N 0 0 402.447 4.347 50 5 HIBARN O=C(NC[C@@H]1COc2ccccc2C1)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000069350759 571221592 /nfs/dbraw/zinc/22/15/92/571221592.db2.gz BQOMYXKKNGDOJK-CYBMUJFWSA-N 0 0 412.829 4.489 50 5 HIBARN Cc1ccc(OCC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c([N+](=O)[O-])n1 ZINC000009120371 571225170 /nfs/dbraw/zinc/22/51/70/571225170.db2.gz WADBUCWEDQDROY-UHFFFAOYSA-N 0 0 423.269 4.353 50 5 HIBARN C[C@@H]1CC[C@@H]2C(=O)N(c3ccc(N(C)CCc4ccccc4)c([N+](=O)[O-])c3)C(=O)[C@H]2C1 ZINC000245343708 571226265 /nfs/dbraw/zinc/22/62/65/571226265.db2.gz XMXOMVKWEQWXIG-UXPWSPDFSA-N 0 0 421.497 4.199 50 5 HIBARN O=C(Nc1ncc2c(n1)C[C@@H](c1cccc(Cl)c1)CC2=O)c1ccc([N+](=O)[O-])cc1 ZINC000009191649 571235610 /nfs/dbraw/zinc/23/56/10/571235610.db2.gz JLCUUGVEGINDPP-CQSZACIVSA-N 0 0 422.828 4.203 50 5 HIBARN Cc1cccc(NC(=O)c2c(N)c(C(=O)c3ccc([N+](=O)[O-])cc3)n3ccccc23)c1 ZINC000009316484 571247532 /nfs/dbraw/zinc/24/75/32/571247532.db2.gz FFEFPBDILDMJOB-UHFFFAOYSA-N 0 0 414.421 4.221 50 5 HIBARN Cc1cc(N2C(=O)c3oc4ccc(C)cc4c(=O)c3[C@H]2c2cccc([N+](=O)[O-])c2)no1 ZINC000009334744 571248841 /nfs/dbraw/zinc/24/88/41/571248841.db2.gz HDCWKZGWEABGLK-LJQANCHMSA-N 0 0 417.377 4.056 50 5 HIBARN COc1ccc(NC(=O)[C@H](C)N2CCC(c3c[nH]c4ccccc43)CC2)c([N+](=O)[O-])c1 ZINC000010225047 571297295 /nfs/dbraw/zinc/29/72/95/571297295.db2.gz XJAQEJKIJDIRIH-HNNXBMFYSA-N 0 0 422.485 4.291 50 5 HIBARN COc1cc(C(=O)Nc2cccc(-c3cn4ccsc4n3)c2)c([N+](=O)[O-])cc1OC ZINC000010250490 571298013 /nfs/dbraw/zinc/29/80/13/571298013.db2.gz YXUNRGDJPDXNFF-UHFFFAOYSA-N 0 0 424.438 4.241 50 5 HIBARN O=C(/C=C/c1ccccc1)NC(=S)Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000002984064 571305808 /nfs/dbraw/zinc/30/58/08/571305808.db2.gz TUJHWLCAPLQMKV-IZZDOVSWSA-N 0 0 410.480 4.245 50 5 HIBARN