smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(Nc2ccc(Cl)c([N+](=O)[O-])c2)c2cc(F)ccc2n1 ZINC000032606590 202228699 /nfs/dbraw/zinc/22/86/99/202228699.db2.gz BSQMHFDZMUHJSO-UHFFFAOYSA-N 0 0 331.734 4.409 10 5 EIBERN Cc1ccc(Nc2ncnc(N3CCc4ccccc43)c2[N+](=O)[O-])cc1 ZINC000040586156 202454488 /nfs/dbraw/zinc/45/44/88/202454488.db2.gz AWVKLSRPVYLBTO-UHFFFAOYSA-N 0 0 347.378 4.131 10 5 EIBERN O=[N+]([O-])c1ccc(CN2CC=C(c3nc4ccccc4o3)CC2)cc1 ZINC000226251329 201036920 /nfs/dbraw/zinc/03/69/20/201036920.db2.gz KJAMAQQBLOKTIL-UHFFFAOYSA-N 0 0 335.363 4.025 10 5 EIBERN Cc1c(Br)cccc1-c1nc2cc([N+](=O)[O-])ccc2o1 ZINC000226248310 201036967 /nfs/dbraw/zinc/03/69/67/201036967.db2.gz GSZHECWJXIPDCG-UHFFFAOYSA-N 0 0 333.141 4.474 10 5 EIBERN O=[N+]([O-])c1ccc(Nc2ccccc2Br)c([N+](=O)[O-])c1 ZINC000005390911 201649705 /nfs/dbraw/zinc/64/97/05/201649705.db2.gz IUPSTJLQWCSJFT-UHFFFAOYSA-N 0 0 338.117 4.009 10 5 EIBERN CCN1c2cc(Cl)ccc2N=C(c2ccc([N+](=O)[O-])cc2)CC1=O ZINC000100898175 204000613 /nfs/dbraw/zinc/00/06/13/204000613.db2.gz PDFNFFCEBCQMIB-UHFFFAOYSA-N 0 0 343.770 4.126 10 5 EIBERN O=[N+]([O-])c1cc(Br)cnc1Nc1ccc(Cl)cc1F ZINC000103980796 204091770 /nfs/dbraw/zinc/09/17/70/204091770.db2.gz BQBDXXFPBHLQEB-UHFFFAOYSA-N 0 0 346.543 4.288 10 5 EIBERN CCCN(CC(F)(F)F)c1ccc(Br)cc1[N+](=O)[O-] ZINC000103982575 204091799 /nfs/dbraw/zinc/09/17/99/204091799.db2.gz KBDAEOMIIAZAOO-UHFFFAOYSA-N 0 0 341.127 4.136 10 5 EIBERN CC(=O)c1ccc(Oc2ccccc2Br)c([N+](=O)[O-])c1 ZINC000008064057 206528017 /nfs/dbraw/zinc/52/80/17/206528017.db2.gz XFQZLCHPYVRMGT-UHFFFAOYSA-N 0 0 336.141 4.352 10 5 EIBERN COc1nc(OC)nc(-c2ccc3ccc4cccc5ccc2c3c45)n1 ZINC000005734453 563548127 /nfs/dbraw/zinc/54/81/27/563548127.db2.gz FYGHRTSDRSCANY-UHFFFAOYSA-N 0 0 341.370 4.453 10 5 EIBERN c1ccc2nc3cc4[nH]c(-c5ccc6c(c5)OCO6)nc4cc3nc2c1 ZINC000048524448 564129302 /nfs/dbraw/zinc/12/93/02/564129302.db2.gz OKKVHZZBWJZRCI-UHFFFAOYSA-N 0 0 340.342 4.055 10 5 EIBERN O=[N+]([O-])c1ccc(F)cc1COc1cccc(Br)c1 ZINC000035308267 202296557 /nfs/dbraw/zinc/29/65/57/202296557.db2.gz CDKLRPIVIGUABE-UHFFFAOYSA-N 0 0 326.121 4.075 10 5 EIBERN CC(C)Nc1ncnc(Nc2ccc(Cl)c(Cl)c2)c1[N+](=O)[O-] ZINC000040591234 202454416 /nfs/dbraw/zinc/45/44/16/202454416.db2.gz YKAKVGNDIJGAMQ-UHFFFAOYSA-N 0 0 342.186 4.256 10 5 EIBERN Cc1nn2c(nccc2-c2ccc(F)c([N+](=O)[O-])c2)c1-c1ccccc1 ZINC000072451608 203227315 /nfs/dbraw/zinc/22/73/15/203227315.db2.gz PIIFGWFYKMHLKH-UHFFFAOYSA-N 0 0 348.337 4.419 10 5 EIBERN O=[N+]([O-])c1cc(Br)ccc1Nc1ccc(F)c(F)c1 ZINC000103989287 204092172 /nfs/dbraw/zinc/09/21/72/204092172.db2.gz CSSOPLAFUUCYDD-UHFFFAOYSA-N 0 0 329.100 4.379 10 5 EIBERN COc1ccccc1-c1nc2cc3nc4ccccc4nc3cc2[nH]1 ZINC000048524456 564129306 /nfs/dbraw/zinc/12/93/06/564129306.db2.gz IUMNJWRHAIVWRY-UHFFFAOYSA-N 0 0 326.359 4.335 10 5 EIBERN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1nc(Cl)ccc1Cl ZINC000037979558 202076712 /nfs/dbraw/zinc/07/67/12/202076712.db2.gz QXWCFWIKMSJIPN-UHFFFAOYSA-N 0 0 346.557 4.202 10 5 EIBERN CC(C)(C)c1ccc(-c2n[nH]c(Cc3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000072236670 203184592 /nfs/dbraw/zinc/18/45/92/203184592.db2.gz FHVZXBKNCYEENR-UHFFFAOYSA-N 0 0 336.395 4.268 10 5 EIBERN C[C@@H]1CC=CC[C@H]1COc1ccc(Br)cc1[N+](=O)[O-] ZINC000103975101 204092377 /nfs/dbraw/zinc/09/23/77/204092377.db2.gz LNCNVSSUQLWWDN-MNOVXSKESA-N 0 0 326.190 4.338 10 5 EIBERN O=[N+]([O-])c1ccc(-c2ccc(C(F)(F)Br)cc2)cn1 ZINC000584881247 563590882 /nfs/dbraw/zinc/59/08/82/563590882.db2.gz GATMTXGDGCANOB-UHFFFAOYSA-N 0 0 329.100 4.101 10 5 EIBERN O=[N+]([O-])c1cnc2c(F)cc(Br)c(Cl)c2c1Cl ZINC000584882234 563597157 /nfs/dbraw/zinc/59/71/57/563597157.db2.gz VUEJMZUWGMGVKY-UHFFFAOYSA-N 0 0 339.935 4.351 10 5 EIBERN COc1ccc(C(=O)c2ccc3c4c(cccc42)CC3)cc1[N+](=O)[O-] ZINC000226295698 201039132 /nfs/dbraw/zinc/03/91/32/201039132.db2.gz CTSPDDZZZRGVSF-UHFFFAOYSA-N 0 0 333.343 4.086 10 5 EIBERN C[C@@H]1CCC[C@H](Sc2ncc(Br)cc2[N+](=O)[O-])C1 ZINC000103979070 204091629 /nfs/dbraw/zinc/09/16/29/204091629.db2.gz XTEJCNNFSQISMI-SCZZXKLOSA-N 0 0 331.235 4.423 10 5 EIBERN Cc1cc([N+](=O)[O-])cc(N)c1OCc1ccc(Cl)cc1Cl ZINC000584904545 564014471 /nfs/dbraw/zinc/01/44/71/564014471.db2.gz YKOIIKKGRVOCOD-UHFFFAOYSA-N 0 0 327.167 4.371 10 5 EIBERN Cc1cc(Br)cc(C)c1NCc1ccc([N+](=O)[O-])o1 ZINC000037772366 202035861 /nfs/dbraw/zinc/03/58/61/202035861.db2.gz YRSYKMDNGXMNHL-UHFFFAOYSA-N 0 0 325.162 4.179 10 5 EIBERN O=[N+]([O-])c1cc(F)cc(NCc2cc(F)ccc2Br)c1 ZINC000038039487 202092029 /nfs/dbraw/zinc/09/20/29/202092029.db2.gz JMNRLKHAJCPQNW-UHFFFAOYSA-N 0 0 343.127 4.248 10 5 EIBERN O=[N+]([O-])c1ccc(Cl)nc1Oc1ccc(Br)cc1F ZINC000038082384 202391511 /nfs/dbraw/zinc/39/15/11/202391511.db2.gz QFOIQELFQNFRLM-UHFFFAOYSA-N 0 0 347.527 4.337 10 5 EIBERN CCCCNc1ncnc(Oc2ccc(Cl)c(C)c2)c1[N+](=O)[O-] ZINC000040595391 202454558 /nfs/dbraw/zinc/45/45/58/202454558.db2.gz SAHMMLGBOSPTLO-UHFFFAOYSA-N 0 0 336.779 4.351 10 5 EIBERN CCN(c1ccccc1)c1ncnc(NCCC(C)C)c1[N+](=O)[O-] ZINC000040573535 202455303 /nfs/dbraw/zinc/45/53/03/202455303.db2.gz YTDKULUUHVWZJX-UHFFFAOYSA-N 0 0 329.404 4.001 10 5 EIBERN Cc1nc2sc3c(c2c(Nc2cccc([N+](=O)[O-])c2)n1)CCC3 ZINC000000753801 201492541 /nfs/dbraw/zinc/49/25/41/201492541.db2.gz POZRAOYPFBRFRJ-UHFFFAOYSA-N 0 0 326.381 4.140 10 5 EIBERN Cc1ccc(OCC(=O)Nc2ccc([N+](=O)[O-])cc2)c(C(C)(C)C)c1 ZINC000005542153 201654351 /nfs/dbraw/zinc/65/43/51/201654351.db2.gz LDUROGKPXKZQBH-UHFFFAOYSA-N 0 0 342.395 4.218 10 5 EIBERN O=C1CC(/C=C/c2cccc([N+](=O)[O-])c2)=Nc2ccc(Cl)cc2N1 ZINC000072236425 203184462 /nfs/dbraw/zinc/18/44/62/203184462.db2.gz XRCHBPXVFQSKDW-GQCTYLIASA-N 0 0 341.754 4.376 10 5 EIBERN CCCCN(CCCC)c1ncc(Br)cc1[N+](=O)[O-] ZINC000103970277 204090227 /nfs/dbraw/zinc/09/02/27/204090227.db2.gz QRVYJTUMNUQGDP-UHFFFAOYSA-N 0 0 330.226 4.159 10 5 EIBERN CCCc1ccc(OCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000005597708 210497083 /nfs/dbraw/zinc/49/70/83/210497083.db2.gz IBQRDKBRCLXLCU-UHFFFAOYSA-N 0 0 348.786 4.218 10 5 EIBERN O=c1oc(-c2ccc([N+](=O)[O-])cc2Cl)nc2cc(Cl)ccc12 ZINC000000174756 563987545 /nfs/dbraw/zinc/98/75/45/563987545.db2.gz SSTALKYIZXJELF-UHFFFAOYSA-N 0 0 337.118 4.070 10 5 EIBERN Nc1ccc(Cl)c(Nc2ccc(Br)cc2[N+](=O)[O-])c1 ZINC000038033889 202090533 /nfs/dbraw/zinc/09/05/33/202090533.db2.gz ITRBOVTYDCNRBI-UHFFFAOYSA-N 0 0 342.580 4.337 10 5 EIBERN CC(C)(C)Nc1ncnc(Nc2ccc(F)c(Cl)c2)c1[N+](=O)[O-] ZINC000040581844 202454784 /nfs/dbraw/zinc/45/47/84/202454784.db2.gz GTLBGZGHGKKLJC-UHFFFAOYSA-N 0 0 339.758 4.131 10 5 EIBERN C[C@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000008033931 210885586 /nfs/dbraw/zinc/88/55/86/210885586.db2.gz VOJVGRXKEYKFBN-VIFPVBQESA-N 0 0 339.178 4.393 10 5 EIBERN O=[N+]([O-])c1ccc(-c2nc3c([nH]2)c2cccnc2c2ncccc32)cc1 ZINC000196902267 564129615 /nfs/dbraw/zinc/12/96/15/564129615.db2.gz VEJNRFLXIYPBAG-UHFFFAOYSA-N 0 0 341.330 4.235 10 5 EIBERN O=[N+]([O-])c1c(Nc2ccc(F)c(F)c2)ncnc1Oc1ccccc1 ZINC000040659738 202457430 /nfs/dbraw/zinc/45/74/30/202457430.db2.gz BWLJXNZHNAEQEO-UHFFFAOYSA-N 0 0 344.277 4.199 10 5 EIBERN O=[N+]([O-])c1ccc(Cl)c(NC(=S)N2CCc3ccccc32)c1 ZINC000006332504 201677898 /nfs/dbraw/zinc/67/78/98/201677898.db2.gz VISCCEOMDGSMSR-UHFFFAOYSA-N 0 0 333.800 4.008 10 5 EIBERN CCc1cc([N+](=O)[O-])cc(Br)c1N1CCC[C@@H](C)C1 ZINC000226315693 205126211 /nfs/dbraw/zinc/12/62/11/205126211.db2.gz MBYWOQDBKMEBCA-SNVBAGLBSA-N 0 0 327.222 4.156 10 5 EIBERN C[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccc2ccccc2c1 ZINC000015625787 201959221 /nfs/dbraw/zinc/95/92/21/201959221.db2.gz ZZGWHKPNQQNMBE-AWEZNQCLSA-N 0 0 334.375 4.168 10 5 EIBERN C[C@@H]1Cc2ccccc2N1C(=S)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000016191274 201973074 /nfs/dbraw/zinc/97/30/74/201973074.db2.gz AMVSVCHIIVEDGA-SNVBAGLBSA-N 0 0 347.827 4.396 10 5 EIBERN O=C(Nc1c(Cl)cccc1Cl)c1ccc(F)c([N+](=O)[O-])c1 ZINC000037976896 202071421 /nfs/dbraw/zinc/07/14/21/202071421.db2.gz FKOKTLIGDNNOKU-UHFFFAOYSA-N 0 0 329.114 4.293 10 5 EIBERN O=[N+]([O-])c1cccnc1NCC1(Nc2ccccc2)CCCCC1 ZINC000032803932 202235584 /nfs/dbraw/zinc/23/55/84/202235584.db2.gz OGRIWZBQWAGYKI-UHFFFAOYSA-N 0 0 326.400 4.217 10 5 EIBERN CCCCC(=O)Nc1nc(C)c(Cc2cccc([N+](=O)[O-])c2)s1 ZINC000036639206 202328040 /nfs/dbraw/zinc/32/80/40/202328040.db2.gz CJQCUBQONLUJBD-UHFFFAOYSA-N 0 0 333.413 4.079 10 5 EIBERN CCC(=O)C(C[C@H](C)[N+](C)(C)[O-])(c1ccccc1)c1ccccc1 ZINC000103579452 204083249 /nfs/dbraw/zinc/08/32/49/204083249.db2.gz JAGZVXZVPUWAKA-KRWDZBQOSA-N 0 0 325.452 4.305 10 5 in-vitro EIBERN C[C@@H]1CC=CC[C@@H]1COc1ccc(Br)cc1[N+](=O)[O-] ZINC000103975094 204091484 /nfs/dbraw/zinc/09/14/84/204091484.db2.gz LNCNVSSUQLWWDN-GHMZBOCLSA-N 0 0 326.190 4.338 10 5 EIBERN CCc1cc([N+](=O)[O-])cc(Br)c1N1C[C@@H](C)C[C@H](C)C1 ZINC000226315732 205125663 /nfs/dbraw/zinc/12/56/63/205125663.db2.gz GJMDVYFVEQTRJA-QWRGUYRKSA-N 0 0 341.249 4.402 10 5 EIBERN COc1ccc2c3ccc4cc5c(cc4c3ncc2c1OC)OCO5 ZINC000000900935 560179764 /nfs/dbraw/zinc/17/97/64/560179764.db2.gz JGUNQXPMULKFNY-UHFFFAOYSA-N 0 0 333.343 4.287 10 5 biogenic,in-vitro EIBERN O=[N+]([O-])c1c2nsnc2ccc1Nc1cccc(C(F)(F)F)c1 ZINC000004347578 210177918 /nfs/dbraw/zinc/17/79/18/210177918.db2.gz CPJZXIVRWUWBPS-UHFFFAOYSA-N 0 0 340.286 4.362 10 5 EIBERN Cc1ccccc1Nc1ncnc(OC2CCCCC2)c1[N+](=O)[O-] ZINC000040648102 213363882 /nfs/dbraw/zinc/36/38/82/213363882.db2.gz HHDZVSQVZSAGNW-UHFFFAOYSA-N 0 0 328.372 4.148 10 5 EIBERN Cc1ccccc1Nc1ncnc(Nc2ccc(F)cc2)c1[N+](=O)[O-] ZINC000040648003 213364076 /nfs/dbraw/zinc/36/40/76/213364076.db2.gz VDEXYZBLWKMQSE-UHFFFAOYSA-N 0 0 339.330 4.320 10 5 EIBERN CC(C)CCNc1ncnc(Nc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000040649103 213363848 /nfs/dbraw/zinc/36/38/48/213363848.db2.gz RRRLGMRBOVQUNL-UHFFFAOYSA-N 0 0 335.795 4.240 10 5 EIBERN Cc1ccccc1Nc1ncnc(N(C)c2ccccc2)c1[N+](=O)[O-] ZINC000040625344 213361488 /nfs/dbraw/zinc/36/14/88/213361488.db2.gz KDGGIGFGTNXDMY-UHFFFAOYSA-N 0 0 335.367 4.205 10 5 EIBERN CN(c1ccccc1)c1ncnc(Sc2ccccc2)c1[N+](=O)[O-] ZINC000040625401 213360854 /nfs/dbraw/zinc/36/08/54/213360854.db2.gz JXVDFCSBMRFWEQ-UHFFFAOYSA-N 0 0 338.392 4.304 10 5 EIBERN Cc1cc(Oc2ncnc(N3CCCC3)c2[N+](=O)[O-])cc(C)c1Cl ZINC000040609256 213358413 /nfs/dbraw/zinc/35/84/13/213358413.db2.gz KGKXHNXJQQCMAR-UHFFFAOYSA-N 0 0 348.790 4.048 10 5 EIBERN CCNc1ncnc(N(CC)c2cccc3ccccc32)c1[N+](=O)[O-] ZINC000040589022 213354949 /nfs/dbraw/zinc/35/49/49/213354949.db2.gz OMRDWMYYFJNELM-UHFFFAOYSA-N 0 0 337.383 4.128 10 5 EIBERN O=[N+]([O-])c1c(Cl)ncnc1NC(c1ccccc1)c1ccccc1 ZINC000040571351 213352111 /nfs/dbraw/zinc/35/21/11/213352111.db2.gz GYFPPNJKRUYYNZ-UHFFFAOYSA-N 0 0 340.770 4.240 10 5 EIBERN Cc1nc(NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)sc1C ZINC000040374620 213293632 /nfs/dbraw/zinc/29/36/32/213293632.db2.gz BENVZHPHXJEFHZ-UHFFFAOYSA-N 0 0 343.364 4.180 10 5 EIBERN O=C(Nc1cc(Cl)ccc1[N+](=O)[O-])c1cnc(Cl)c(Cl)c1 ZINC000037981327 213180807 /nfs/dbraw/zinc/18/08/07/213180807.db2.gz NYUCRYKTZQVGGC-UHFFFAOYSA-N 0 0 346.557 4.202 10 5 EIBERN O=[N+]([O-])c1cc(NCc2ccc(Br)s2)c(F)cc1F ZINC000037076787 213132819 /nfs/dbraw/zinc/13/28/19/213132819.db2.gz FKJOKVYBSYCDEE-UHFFFAOYSA-N 0 0 349.156 4.309 10 5 EIBERN Cc1ccc(Sc2ncnc(NC3CCCC3)c2[N+](=O)[O-])cc1 ZINC000040650360 213363898 /nfs/dbraw/zinc/36/38/98/213363898.db2.gz PZYHQPFZIPJPHA-UHFFFAOYSA-N 0 0 330.413 4.199 10 5 EIBERN CC(C)Oc1ncnc(Nc2ccc(Cl)cc2Cl)c1[N+](=O)[O-] ZINC000040650227 213363345 /nfs/dbraw/zinc/36/33/45/213363345.db2.gz FUFXWBUMTCELIS-UHFFFAOYSA-N 0 0 343.170 4.222 10 5 EIBERN Cc1cc(C)cc(Nc2ncnc(NCc3ccccc3)c2[N+](=O)[O-])c1 ZINC000040582929 213354160 /nfs/dbraw/zinc/35/41/60/213354160.db2.gz BVOSLQIRYKPHQK-UHFFFAOYSA-N 0 0 349.394 4.357 10 5 EIBERN Cc1ccc(C)c(Nc2ncnc(NC3CCCCC3)c2[N+](=O)[O-])c1 ZINC000040591732 213356993 /nfs/dbraw/zinc/35/69/93/213356993.db2.gz ZNNKWYYUWMNGDP-UHFFFAOYSA-N 0 0 341.415 4.490 10 5 EIBERN Cc1cc(Oc2ncnc(NC(C)C)c2[N+](=O)[O-])cc(C)c1Cl ZINC000040597716 213356321 /nfs/dbraw/zinc/35/63/21/213356321.db2.gz AWXVTGHSIJYUMB-UHFFFAOYSA-N 0 0 336.779 4.268 10 5 EIBERN Cc1nc(C(=O)Nc2ccccc2[N+](=O)[O-])c(-c2ccccc2)s1 ZINC000040326290 213292249 /nfs/dbraw/zinc/29/22/49/213292249.db2.gz NFARHXQEDKFWBJ-UHFFFAOYSA-N 0 0 339.376 4.279 10 5 EIBERN C[C@H]1CCc2c(sc3ncnc(Nc4cccc([N+](=O)[O-])c4)c32)C1 ZINC000001291044 209722673 /nfs/dbraw/zinc/72/26/73/209722673.db2.gz FYSIVWXPHIHTJH-JTQLQIEISA-N 0 0 340.408 4.468 10 5 EIBERN O=[N+]([O-])c1ccc(Cl)nc1Oc1cccc(Br)c1 ZINC000038082296 213201050 /nfs/dbraw/zinc/20/10/50/213201050.db2.gz OMASBSPYBFKXBB-UHFFFAOYSA-N 0 0 329.537 4.198 10 5 EIBERN C[C@H](N(C)C(=O)c1cc(Cl)c(Cl)c([N+](=O)[O-])c1)C(C)(C)C ZINC000037984227 213181861 /nfs/dbraw/zinc/18/18/61/213181861.db2.gz SBKYHWADFSRAOT-QMMMGPOBSA-N 0 0 333.215 4.408 10 5 EIBERN O=C(CCCOc1ccc([N+](=O)[O-])cc1Cl)c1cccs1 ZINC000037974507 213178909 /nfs/dbraw/zinc/17/89/09/213178909.db2.gz YAGHSRVRGIOPIK-UHFFFAOYSA-N 0 0 325.773 4.352 10 5 EIBERN C[C@@H](Nc1ccc(O)cc1[N+](=O)[O-])c1sccc1Br ZINC000037320937 213140056 /nfs/dbraw/zinc/14/00/56/213140056.db2.gz AFGLQJVBLKNVMH-SSDOTTSWSA-N 0 0 343.202 4.298 10 5 EIBERN Cc1cc(-c2nc3cc([N+](=O)[O-])ccc3o2)ccc1Br ZINC000226239775 242091621 /nfs/dbraw/zinc/09/16/21/242091621.db2.gz YWKDPWHDYXOMJJ-UHFFFAOYSA-N 0 0 333.141 4.474 10 5 EIBERN CN(c1ccccc1)c1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(F)(F)F ZINC000005140752 210397766 /nfs/dbraw/zinc/39/77/66/210397766.db2.gz JYCNXMMTVIAGJC-UHFFFAOYSA-N 0 0 341.245 4.290 10 5 EIBERN CCN1c2ccc([N+](=O)[O-])cc2N=C(c2ccc(Cl)cc2)CC1=O ZINC000100898434 219110779 /nfs/dbraw/zinc/11/07/79/219110779.db2.gz AOMKEFWWQZSOIS-UHFFFAOYSA-N 0 0 343.770 4.126 10 5 EIBERN Cc1ccc(-n2cccc2C(=O)C(Cl)(Cl)Cl)c([N+](=O)[O-])c1 ZINC000002387789 209845867 /nfs/dbraw/zinc/84/58/67/209845867.db2.gz HCQBJHWPTCTTBJ-UHFFFAOYSA-N 0 0 347.585 4.247 10 5 EIBERN O=[N+]([O-])c1ccc(Sc2cc(Br)ccc2CO)cc1 ZINC000104298627 219372218 /nfs/dbraw/zinc/37/22/18/219372218.db2.gz ISCJUVBWPDAASX-UHFFFAOYSA-N 0 0 340.198 4.001 10 5 EIBERN Cc1cccc(Nc2ncnc(NCCC(C)C)c2[N+](=O)[O-])c1C ZINC000040620757 213359515 /nfs/dbraw/zinc/35/95/15/213359515.db2.gz KKGMONOALTVSNE-UHFFFAOYSA-N 0 0 329.404 4.203 10 5 EIBERN Cc1ccc(Cl)cc1Nc1ncnc(NC(C)(C)C)c1[N+](=O)[O-] ZINC000040581521 213354174 /nfs/dbraw/zinc/35/41/74/213354174.db2.gz JVLXPPPGGWYHDL-UHFFFAOYSA-N 0 0 335.795 4.301 10 5 EIBERN CC(C)Oc1ncnc(Oc2ccc3ccccc3c2)c1[N+](=O)[O-] ZINC000040586675 213355473 /nfs/dbraw/zinc/35/54/73/213355473.db2.gz PCURUJKDNVDELB-UHFFFAOYSA-N 0 0 325.324 4.118 10 5 EIBERN CCc1ccccc1Nc1ncnc(OC2CCCCC2)c1[N+](=O)[O-] ZINC000040587186 213355518 /nfs/dbraw/zinc/35/55/18/213355518.db2.gz XMOUAIMIEFDTRL-UHFFFAOYSA-N 0 0 342.399 4.402 10 5 EIBERN CCN(c1ccccc1)c1ncnc(N(C)c2ccccc2)c1[N+](=O)[O-] ZINC000040573337 213352309 /nfs/dbraw/zinc/35/23/09/213352309.db2.gz QQAPLIFIENSNLB-UHFFFAOYSA-N 0 0 349.394 4.311 10 5 EIBERN O=c1nc2sc3ccc4ccccc4c3n2nc1-c1ccccc1 ZINC000001622604 209769679 /nfs/dbraw/zinc/76/96/79/209769679.db2.gz CSHOYHFWEXKNBW-UHFFFAOYSA-N 0 0 329.384 4.124 10 5 EIBERN CC1=CC(C)(C)N(C(=O)c2ccc([N+](=O)[O-])cc2)c2ccc(O)cc21 ZINC000072441656 216235442 /nfs/dbraw/zinc/23/54/42/216235442.db2.gz AVGUFPLBXRTUNU-UHFFFAOYSA-N 0 0 338.363 4.143 10 5 EIBERN CCc1cc([N+](=O)[O-])cc(Br)c1N1CCCC[C@@H]1C ZINC000226315287 242097848 /nfs/dbraw/zinc/09/78/48/242097848.db2.gz UNVFCVJPZJQKMV-JTQLQIEISA-N 0 0 327.222 4.299 10 5 EIBERN CC(C)(C)OC(=O)n1c(Br)cc2cc([N+](=O)[O-])ccc21 ZINC000299889096 257917216 /nfs/dbraw/zinc/91/72/16/257917216.db2.gz DHLFCPMAWKDFHS-UHFFFAOYSA-N 0 0 341.161 4.095 10 5 EIBERN CC1CCN(c2ncnc(Nc3cccc(Cl)c3)c2[N+](=O)[O-])CC1 ZINC000040612916 132404176 /nfs/dbraw/zinc/40/41/76/132404176.db2.gz KDMCJYAXAJWEDQ-UHFFFAOYSA-N 0 0 347.806 4.018 10 5 EIBERN CCC1(C)CCN(Cc2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000725263824 563986464 /nfs/dbraw/zinc/98/64/64/563986464.db2.gz MUIGKXPMPORQGQ-UHFFFAOYSA-N 0 0 341.249 4.369 10 5 EIBERN O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CC=C(c2cccs2)CC1 ZINC000117857045 1044562550 /nfs/dbraw/zinc/56/25/50/1044562550.db2.gz FRADRBCQRVAQGB-UHFFFAOYSA-N 0 0 348.811 4.239 10 5 EIBERN CCCCN(c1ncc(Br)cc1[N+](=O)[O-])[C@@H](C)CC ZINC000103982569 219336171 /nfs/dbraw/zinc/33/61/71/219336171.db2.gz DYTXTVNNDFKWFA-JTQLQIEISA-N 0 0 330.226 4.157 10 5 EIBERN Cc1ccc(Oc2ncnc(NCCC(C)C)c2[N+](=O)[O-])cc1C ZINC000040660307 213364997 /nfs/dbraw/zinc/36/49/97/213364997.db2.gz YSWDLTBKJJNWDY-UHFFFAOYSA-N 0 0 330.388 4.252 10 5 EIBERN CC(C)Oc1ncnc(Nc2cc(Cl)ccc2Cl)c1[N+](=O)[O-] ZINC000040646600 213363809 /nfs/dbraw/zinc/36/38/09/213363809.db2.gz PPNZVMLJFVXPNJ-UHFFFAOYSA-N 0 0 343.170 4.222 10 5 EIBERN O=[N+]([O-])c1cccc(NCc2cc(F)ccc2Br)c1 ZINC000037999248 213185616 /nfs/dbraw/zinc/18/56/16/213185616.db2.gz DGLFWUSPJVYMGM-UHFFFAOYSA-N 0 0 325.137 4.109 10 5 EIBERN CCCCN(C(=O)c1cc(Cl)c(Cl)c([N+](=O)[O-])c1)C1CC1 ZINC000037985530 213185396 /nfs/dbraw/zinc/18/53/96/213185396.db2.gz SLUSDJYLNYKUIB-UHFFFAOYSA-N 0 0 331.199 4.306 10 5 EIBERN O=C(Nc1ccc(Cl)cc1[N+](=O)[O-])c1cc(Cl)nc(Cl)c1 ZINC000037979563 213180045 /nfs/dbraw/zinc/18/00/45/213180045.db2.gz RKEQTDSZIYVNEJ-UHFFFAOYSA-N 0 0 346.557 4.202 10 5 EIBERN O=[N+]([O-])c1ccc(Cl)nc1Nc1ccc(Br)cc1F ZINC000037331631 213140481 /nfs/dbraw/zinc/14/04/81/213140481.db2.gz OEFGPGOAOKJVJS-UHFFFAOYSA-N 0 0 346.543 4.288 10 5 EIBERN CCN(CC)c1nc(Nc2cccc([N+](=O)[O-])c2)nc2ccccc21 ZINC000072260984 216086168 /nfs/dbraw/zinc/08/61/68/216086168.db2.gz QRNGHMHCGAIVEA-UHFFFAOYSA-N 0 0 337.383 4.128 10 5 EIBERN C[C@@H]1CCCN(c2c(Cl)cc([N+](=O)[O-])cc2Br)C1 ZINC000226316633 242098267 /nfs/dbraw/zinc/09/82/67/242098267.db2.gz MSNNZHVBKBLHDX-MRVPVSSYSA-N 0 0 333.613 4.247 10 5 EIBERN C[C@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000008086097 210893374 /nfs/dbraw/zinc/89/33/74/210893374.db2.gz ZIZKVGWEXKDJOS-VIFPVBQESA-N 0 0 339.178 4.393 10 5 EIBERN Cc1cccc(CSc2ncc(Br)cc2[N+](=O)[O-])c1 ZINC000054966238 214261210 /nfs/dbraw/zinc/26/12/10/214261210.db2.gz HPZHBNQGHRFJNH-UHFFFAOYSA-N 0 0 339.214 4.353 10 5 EIBERN CCN1c2ccc([N+](=O)[O-])cc2N=C(c2ccccc2Cl)CC1=O ZINC000100898436 219111224 /nfs/dbraw/zinc/11/12/24/219111224.db2.gz RXZIIANNGQJKBP-UHFFFAOYSA-N 0 0 343.770 4.126 10 5 EIBERN O=C(c1ccccc1)N(Cc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000003175352 209973948 /nfs/dbraw/zinc/97/39/48/209973948.db2.gz XFBMIPGSYQXZJH-UHFFFAOYSA-N 0 0 332.359 4.442 10 5 EIBERN C[C@H]1CC=CC[C@@H]1COc1ccc(Br)cc1[N+](=O)[O-] ZINC000103975098 219335452 /nfs/dbraw/zinc/33/54/52/219335452.db2.gz LNCNVSSUQLWWDN-WDEREUQCSA-N 0 0 326.190 4.338 10 5 EIBERN O=[N+]([O-])c1cc(Br)cnc1Nc1ccc(Cl)c(F)c1 ZINC000103979055 219335610 /nfs/dbraw/zinc/33/56/10/219335610.db2.gz HVRJYZXFOSXOAQ-UHFFFAOYSA-N 0 0 346.543 4.288 10 5 EIBERN O=[N+]([O-])c1c(Nc2ccc(F)cc2)ncnc1Sc1ccccc1 ZINC000040649353 213364287 /nfs/dbraw/zinc/36/42/87/213364287.db2.gz ZCMYNBPGMXNYMD-UHFFFAOYSA-N 0 0 342.355 4.419 10 5 EIBERN O=[N+]([O-])c1c(Nc2cccc(Cl)c2)ncnc1NC1CCCC1 ZINC000040648673 213363991 /nfs/dbraw/zinc/36/39/91/213363991.db2.gz YMSWYMJPXWLWLR-UHFFFAOYSA-N 0 0 333.779 4.136 10 5 EIBERN Cc1ccc(Nc2ncnc(NC3CCCCC3)c2[N+](=O)[O-])c(C)c1 ZINC000040598005 213356666 /nfs/dbraw/zinc/35/66/66/213356666.db2.gz HENWTKJNGKGMMR-UHFFFAOYSA-N 0 0 341.415 4.490 10 5 EIBERN CCCNc1ncnc(Nc2ccc(Cl)cc2Cl)c1[N+](=O)[O-] ZINC000040596977 213356426 /nfs/dbraw/zinc/35/64/26/213356426.db2.gz MKSDLPYXEGPVDS-UHFFFAOYSA-N 0 0 342.186 4.257 10 5 EIBERN C[C@@H](N(C)C(=O)c1cc(Cl)c(Cl)c([N+](=O)[O-])c1)C(C)(C)C ZINC000037984228 213181948 /nfs/dbraw/zinc/18/19/48/213181948.db2.gz SBKYHWADFSRAOT-MRVPVSSYSA-N 0 0 333.215 4.408 10 5 EIBERN O=[N+]([O-])c1cc(CNc2cccnc2Cl)ccc1Br ZINC000037283612 213137908 /nfs/dbraw/zinc/13/79/08/213137908.db2.gz MDUIMHBYSYPAPJ-UHFFFAOYSA-N 0 0 342.580 4.018 10 5 EIBERN CC1CCN(c2ncnc(Nc3ccccc3Cl)c2[N+](=O)[O-])CC1 ZINC000040612912 132404370 /nfs/dbraw/zinc/40/43/70/132404370.db2.gz AKNZQPISHCREFI-UHFFFAOYSA-N 0 0 347.806 4.018 10 5 EIBERN [O-][n+]1c2ccccc2nc2cc3nc(-c4cccc(Cl)c4)[nH]c3cc21 ZINC000048524494 564129311 /nfs/dbraw/zinc/12/93/11/564129311.db2.gz QCDWWIGEBGYQBA-UHFFFAOYSA-N 0 0 346.777 4.218 10 5 EIBERN CC(C)(C)OC(=O)Cn1c2ccccc2c2cc([N+](=O)[O-])ccc21 ZINC000090394317 1042541009 /nfs/dbraw/zinc/54/10/09/1042541009.db2.gz MAGXMLGZWGRFKL-UHFFFAOYSA-N 0 0 326.352 4.044 10 5 EIBERN O=[N+]([O-])c1c(NC2CCCCCC2)ncnc1OC1CCCCC1 ZINC000040661292 213365785 /nfs/dbraw/zinc/36/57/85/213365785.db2.gz DZWOAAULTATDOU-UHFFFAOYSA-N 0 0 334.420 4.231 10 5 EIBERN O=[N+]([O-])c1c(NC2CCCCCC2)ncnc1Oc1ccccc1 ZINC000040659744 213365391 /nfs/dbraw/zinc/36/53/91/213365391.db2.gz ISZJWOXSODMPNC-UHFFFAOYSA-N 0 0 328.372 4.312 10 5 EIBERN Cc1ccc(CNc2ncnc(Nc3ccccc3)c2[N+](=O)[O-])cc1 ZINC000040647895 213363621 /nfs/dbraw/zinc/36/36/21/213363621.db2.gz XAWMZKILXKVQGW-UHFFFAOYSA-N 0 0 335.367 4.049 10 5 EIBERN Cc1ccc(CNc2ncnc(Oc3ccccc3)c2[N+](=O)[O-])cc1 ZINC000040650718 213363380 /nfs/dbraw/zinc/36/33/80/213363380.db2.gz CQBUSOKLXFGJKC-UHFFFAOYSA-N 0 0 336.351 4.098 10 5 EIBERN CN(c1ccccc1)c1ncnc(Nc2ccc(F)cc2)c1[N+](=O)[O-] ZINC000040625380 213361442 /nfs/dbraw/zinc/36/14/42/213361442.db2.gz IHVMECVAKIDWNI-UHFFFAOYSA-N 0 0 339.330 4.035 10 5 EIBERN Cc1ccc(Oc2ncnc(N(C)c3ccccc3)c2[N+](=O)[O-])cc1 ZINC000040625522 213360836 /nfs/dbraw/zinc/36/08/36/213360836.db2.gz SWLQJUKDXQPPQP-UHFFFAOYSA-N 0 0 336.351 4.253 10 5 EIBERN CCN(CC)c1ncnc(Nc2cccc3ccccc32)c1[N+](=O)[O-] ZINC000040607997 213358638 /nfs/dbraw/zinc/35/86/38/213358638.db2.gz SQRLGDVAOQIJBM-UHFFFAOYSA-N 0 0 337.383 4.128 10 5 EIBERN CCN(CC)c1ncnc(Oc2ccc3ccccc3c2)c1[N+](=O)[O-] ZINC000040586536 213354760 /nfs/dbraw/zinc/35/47/60/213354760.db2.gz CEVHAXHOJJALMU-UHFFFAOYSA-N 0 0 338.367 4.177 10 5 EIBERN CCc1ccccc1Nc1ncnc(N2CCCCCC2)c1[N+](=O)[O-] ZINC000040587002 213354772 /nfs/dbraw/zinc/35/47/72/213354772.db2.gz MUGDUGRTBGGJTF-UHFFFAOYSA-N 0 0 341.415 4.071 10 5 EIBERN O=C(Nc1ccc(Cl)cc1[N+](=O)[O-])c1nc(Cl)ccc1Cl ZINC000037979562 213179840 /nfs/dbraw/zinc/17/98/40/213179840.db2.gz PHHDBRZYWOSUHJ-UHFFFAOYSA-N 0 0 346.557 4.202 10 5 EIBERN CCc1ccc(NCc2ccc(Br)o2)cc1[N+](=O)[O-] ZINC000037104414 213132862 /nfs/dbraw/zinc/13/28/62/213132862.db2.gz FFFHKHKTOQBQHX-UHFFFAOYSA-N 0 0 325.162 4.125 10 5 EIBERN COc1ccc(Oc2ccc(F)cc2Br)c([N+](=O)[O-])c1 ZINC000019806536 212071114 /nfs/dbraw/zinc/07/11/14/212071114.db2.gz FSTZTLXJMLSWNL-UHFFFAOYSA-N 0 0 342.120 4.297 10 5 EIBERN O=C(Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1)Nc1ccccc1 ZINC000005683994 210516602 /nfs/dbraw/zinc/51/66/02/210516602.db2.gz QWZGMZYNFVGLON-UHFFFAOYSA-N 0 0 340.364 4.362 10 5 EIBERN Cc1ccc([C@@H]2SCCN2C(=O)c2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000000328877 563991227 /nfs/dbraw/zinc/99/12/27/563991227.db2.gz GCIHHZLVBGILJD-SFHVURJKSA-N 0 0 342.420 4.099 10 5 EIBERN Cn1c2ccccc2c(Nc2cccc3ccccc32)c([N+](=O)[O-])c1=O ZINC000005588874 564005941 /nfs/dbraw/zinc/00/59/41/564005941.db2.gz MYMLLDZBFVHOPM-UHFFFAOYSA-N 0 0 345.358 4.344 10 5 EIBERN CCCCN(C)c1ncnc(Nc2cccc(Cl)c2)c1[N+](=O)[O-] ZINC000040612036 213358424 /nfs/dbraw/zinc/35/84/24/213358424.db2.gz BIEYYWIUNGRAPN-UHFFFAOYSA-N 0 0 335.795 4.018 10 5 EIBERN CCc1ccc(Nc2ncnc(N3CCCCCC3)c2[N+](=O)[O-])cc1 ZINC000040587230 213354631 /nfs/dbraw/zinc/35/46/31/213354631.db2.gz WXFWXUQPEPULNU-UHFFFAOYSA-N 0 0 341.415 4.071 10 5 EIBERN Cc1cc(C)c2nc(C)cc(NC(=O)c3cccc([N+](=O)[O-])c3)c2c1 ZINC000040177045 213279939 /nfs/dbraw/zinc/27/99/39/213279939.db2.gz IBBHCKJQKDWSEU-UHFFFAOYSA-N 0 0 335.363 4.321 10 5 EIBERN CC(C)Oc1ncnc(Nc2cccc(Cl)c2Cl)c1[N+](=O)[O-] ZINC000040646730 213363505 /nfs/dbraw/zinc/36/35/05/213363505.db2.gz LNZCTGWLOMYWOU-UHFFFAOYSA-N 0 0 343.170 4.222 10 5 EIBERN Cc1cccc(Nc2ncnc(N(C)c3ccccc3)c2[N+](=O)[O-])c1 ZINC000040625356 213361845 /nfs/dbraw/zinc/36/18/45/213361845.db2.gz RSRQNDFEYCZIAG-UHFFFAOYSA-N 0 0 335.367 4.205 10 5 EIBERN CCCCOc1ccc(Nc2ncnc(OC(C)C)c2[N+](=O)[O-])cc1 ZINC000040620104 213358951 /nfs/dbraw/zinc/35/89/51/213358951.db2.gz YFRRLDMLAYSFMU-UHFFFAOYSA-N 0 0 346.387 4.095 10 5 EIBERN Cc1ccccc1Nc1ncnc(NCc2ccccc2)c1[N+](=O)[O-] ZINC000040599332 213358134 /nfs/dbraw/zinc/35/81/34/213358134.db2.gz RAKMUHIWESGKQF-UHFFFAOYSA-N 0 0 335.367 4.049 10 5 EIBERN CC(C)CN(CC(C)C)c1ncnc(Oc2ccccc2)c1[N+](=O)[O-] ZINC000040613960 213357915 /nfs/dbraw/zinc/35/79/15/213357915.db2.gz HNSOFTDCJAEBLG-UHFFFAOYSA-N 0 0 344.415 4.296 10 5 EIBERN Cc1ccc(S(=O)(=O)Nc2ccnc3c4ccccc4ccc23)cc1 ZINC000040384323 213294535 /nfs/dbraw/zinc/29/45/35/213294535.db2.gz GMSJNJCJSPYKRF-UHFFFAOYSA-N 0 0 348.427 4.497 10 5 EIBERN O=C(Nc1cccnc1Cl)c1cc(Cl)c(Cl)c([N+](=O)[O-])c1 ZINC000037980123 213181372 /nfs/dbraw/zinc/18/13/72/213181372.db2.gz LMVQAVHXVODNPT-UHFFFAOYSA-N 0 0 346.557 4.202 10 5 EIBERN O=C(COc1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1Cl ZINC000037974500 213178650 /nfs/dbraw/zinc/17/86/50/213178650.db2.gz NSGQBTARPRIOFR-UHFFFAOYSA-N 0 0 326.135 4.163 10 5 EIBERN CC1=CC(C)(C)N(C(=O)c2ccccc2[N+](=O)[O-])c2ccc(O)cc21 ZINC000072441652 216235410 /nfs/dbraw/zinc/23/54/10/216235410.db2.gz RLONSPHYPVKTMA-UHFFFAOYSA-N 0 0 338.363 4.143 10 5 EIBERN CCc1cc([N+](=O)[O-])cc(Br)c1N1C[C@H](C)C[C@H](C)C1 ZINC000226315715 242098503 /nfs/dbraw/zinc/09/85/03/242098503.db2.gz GJMDVYFVEQTRJA-PHIMTYICSA-N 0 0 341.249 4.402 10 5 EIBERN O=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1cnc(Cl)c(Cl)c1 ZINC000019162877 212002067 /nfs/dbraw/zinc/00/20/67/212002067.db2.gz ZHISKFGNLIUESB-UHFFFAOYSA-N 0 0 346.557 4.202 10 5 EIBERN Cn1c(=O)c(-c2c(Cl)ccc([N+](=O)[O-])c2Cl)cc2ccccc21 ZINC000167324085 534667248 /nfs/dbraw/zinc/66/72/48/534667248.db2.gz RAPGHLCXMYSOFB-UHFFFAOYSA-N 0 0 349.173 4.421 10 5 EIBERN O=C(c1c(Cl)cccc1[N+](=O)[O-])N1CC=C(c2cccs2)CC1 ZINC000117724033 1044526572 /nfs/dbraw/zinc/52/65/72/1044526572.db2.gz LOXRZQYOGJADRJ-UHFFFAOYSA-N 0 0 348.811 4.239 10 5 EIBERN Cc1ccc2c(c1)N(C(C)C)C(=O)CC(c1ccc([N+](=O)[O-])cc1)=N2 ZINC000100898258 219110751 /nfs/dbraw/zinc/11/07/51/219110751.db2.gz MAABNPMKSKTKMM-UHFFFAOYSA-N 0 0 337.379 4.169 10 5 EIBERN Cc1ccc(NC(=O)[C@@H](C)Oc2ccc(C(C)C)cc2)c([N+](=O)[O-])c1 ZINC000064982411 214820067 /nfs/dbraw/zinc/82/00/67/214820067.db2.gz COIJCBOSOCMSCH-CQSZACIVSA-N 0 0 342.395 4.433 10 5 EIBERN C[C@@H]1CCC[C@@H](Sc2ncc(Br)cc2[N+](=O)[O-])C1 ZINC000103979078 219335549 /nfs/dbraw/zinc/33/55/49/219335549.db2.gz XTEJCNNFSQISMI-PSASIEDQSA-N 0 0 331.235 4.423 10 5 EIBERN Cc1ccc(NC(=O)COc2cccc(C(C)C)c2)c([N+](=O)[O-])c1 ZINC000040866262 213394481 /nfs/dbraw/zinc/39/44/81/213394481.db2.gz LTLVYIDRNPNAIA-UHFFFAOYSA-N 0 0 328.368 4.044 10 5 EIBERN Cc1ccc(Nc2ncnc(NC3CCCC3)c2[N+](=O)[O-])cc1Cl ZINC000040591148 213354911 /nfs/dbraw/zinc/35/49/11/213354911.db2.gz CJSNKRSXRAZVTD-UHFFFAOYSA-N 0 0 347.806 4.445 10 5 EIBERN O=[N+]([O-])c1c(NCCC2=CCCCC2)ncnc1N1CCCCCC1 ZINC000040610013 213357444 /nfs/dbraw/zinc/35/74/44/213357444.db2.gz CODHSOCHVXFCJB-UHFFFAOYSA-N 0 0 345.447 4.068 10 5 EIBERN Cc1ccc(Cl)cc1Nc1ncnc(NC2CCCC2)c1[N+](=O)[O-] ZINC000040592997 213356488 /nfs/dbraw/zinc/35/64/88/213356488.db2.gz DGQQHGOYXMKVCG-UHFFFAOYSA-N 0 0 347.806 4.445 10 5 EIBERN CCc1ccc(Nc2ncnc(N(C)c3ccccc3)c2[N+](=O)[O-])cc1 ZINC000040587275 213355743 /nfs/dbraw/zinc/35/57/43/213355743.db2.gz DJLQTBFOAQQLLO-UHFFFAOYSA-N 0 0 349.394 4.459 10 5 EIBERN O=[N+]([O-])c1cc(-c2ccnc3c(-c4ccccc4)cnn32)ccc1F ZINC000072451587 216240195 /nfs/dbraw/zinc/24/01/95/216240195.db2.gz ZEGBQDFIQFIGRP-UHFFFAOYSA-N 0 0 334.310 4.111 10 5 EIBERN O=C(Nc1ncc([N+](=O)[O-])s1)c1ccccc1Oc1ccccc1 ZINC000005329781 564002579 /nfs/dbraw/zinc/00/25/79/564002579.db2.gz FENPPYSEXYNTAN-UHFFFAOYSA-N 0 0 341.348 4.096 10 5 EIBERN C[C@@H](Cc1ccccc1)OSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000048564387 564129426 /nfs/dbraw/zinc/12/94/26/564129426.db2.gz MQRCDWLEQBCZSV-NSHDSACASA-N 0 0 334.353 4.158 10 5 EIBERN Cc1c(NC(=O)N2CC=C(c3cccs3)CC2)cccc1[N+](=O)[O-] ZINC000118008497 1044590274 /nfs/dbraw/zinc/59/02/74/1044590274.db2.gz NZLXNSHXNIJDIW-UHFFFAOYSA-N 0 0 343.408 4.286 10 5 EIBERN Cc1ccc(Nc2ncc(Br)cc2[N+](=O)[O-])cc1Cl ZINC000103984073 219336055 /nfs/dbraw/zinc/33/60/55/219336055.db2.gz OSEHNZBSJCCUAM-UHFFFAOYSA-N 0 0 342.580 4.458 10 5 EIBERN C[C@H]1CC=CC[C@H]1COc1ccc(Br)cc1[N+](=O)[O-] ZINC000103975103 219334890 /nfs/dbraw/zinc/33/48/90/219334890.db2.gz LNCNVSSUQLWWDN-QWRGUYRKSA-N 0 0 326.190 4.338 10 5 EIBERN O=Cc1ccc(Br)cc1Sc1ccccc1[N+](=O)[O-] ZINC000104296400 219372059 /nfs/dbraw/zinc/37/20/59/219372059.db2.gz CLUXAUXNBJILMK-UHFFFAOYSA-N 0 0 338.182 4.321 10 5 EIBERN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cc(Cl)nc(Cl)c1 ZINC000037979559 213179494 /nfs/dbraw/zinc/17/94/94/213179494.db2.gz WAVLGACIBJRVOX-UHFFFAOYSA-N 0 0 346.557 4.202 10 5 EIBERN O=C(COc1cccc([N+](=O)[O-])c1)c1cc(Cl)ccc1Cl ZINC000037974490 213179000 /nfs/dbraw/zinc/17/90/00/213179000.db2.gz BQUGECWEEKWUMK-UHFFFAOYSA-N 0 0 326.135 4.163 10 5 EIBERN O=C(Nc1ccc(Cl)cc1[N+](=O)[O-])c1cnc(Cl)c(Cl)c1 ZINC000037976159 213178262 /nfs/dbraw/zinc/17/82/62/213178262.db2.gz VGRYYLUVWBHSED-UHFFFAOYSA-N 0 0 346.557 4.202 10 5 EIBERN Cc1ccc(Br)cc1Nc1nc(Cl)ccc1[N+](=O)[O-] ZINC000037368746 213141649 /nfs/dbraw/zinc/14/16/49/213141649.db2.gz FXCGNASEZMANBQ-UHFFFAOYSA-N 0 0 342.580 4.458 10 5 EIBERN O=[N+]([O-])c1ccc(-c2ccnc3c(-c4ccc(F)cc4)cnn32)cc1 ZINC000072451906 216239749 /nfs/dbraw/zinc/23/97/49/216239749.db2.gz ZFCWMKBUGLRPOY-UHFFFAOYSA-N 0 0 334.310 4.111 10 5 EIBERN O=[N+]([O-])c1cc(Br)ccc1NC[C@H]1C[C@H]2CC[C@@H]1C2 ZINC000111092880 220100046 /nfs/dbraw/zinc/10/00/46/220100046.db2.gz VSFXUOAJVUTEBC-HBNTYKKESA-N 0 0 325.206 4.205 10 5 EIBERN O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CC=C(c2cccs2)CC1 ZINC000117721113 1044523897 /nfs/dbraw/zinc/52/38/97/1044523897.db2.gz IMGBAETXHCBARS-UHFFFAOYSA-N 0 0 348.811 4.239 10 5 EIBERN O=[N+]([O-])c1c(Oc2ccccc2)ncnc1Sc1ccccc1 ZINC000040650126 213363499 /nfs/dbraw/zinc/36/34/99/213363499.db2.gz PPRWLQVBIKADNV-UHFFFAOYSA-N 0 0 325.349 4.328 10 5 EIBERN Cc1ccc(Nc2ncnc(N(C)c3ccccc3)c2[N+](=O)[O-])cc1 ZINC000040625368 213360931 /nfs/dbraw/zinc/36/09/31/213360931.db2.gz WVVDHFQJWUIKKF-UHFFFAOYSA-N 0 0 335.367 4.205 10 5 EIBERN Cc1cccc(Nc2ncnc(Nc3ccccc3)c2[N+](=O)[O-])c1C ZINC000040620511 213359891 /nfs/dbraw/zinc/35/98/91/213359891.db2.gz BHQNTKVXMLAAHU-UHFFFAOYSA-N 0 0 335.367 4.489 10 5 EIBERN Cc1ccc(Nc2ncnc(OC3CCCCC3)c2[N+](=O)[O-])c(C)c1 ZINC000040621386 213359437 /nfs/dbraw/zinc/35/94/37/213359437.db2.gz OGYWDZSXTZAEGA-UHFFFAOYSA-N 0 0 342.399 4.457 10 5 EIBERN CCN(CC)c1ncnc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000040607487 213358419 /nfs/dbraw/zinc/35/84/19/213358419.db2.gz ZSBRNYDUKUPSRH-UHFFFAOYSA-N 0 0 338.820 4.036 10 5 EIBERN CC(C)Oc1ncnc(Oc2cccc3ccccc32)c1[N+](=O)[O-] ZINC000040583542 213354120 /nfs/dbraw/zinc/35/41/20/213354120.db2.gz FKHRPPHNAIBGMZ-UHFFFAOYSA-N 0 0 325.324 4.118 10 5 EIBERN O=[N+]([O-])c1c(Nc2ccc(Cl)cc2)ncnc1N1CCCCCC1 ZINC000040610057 213358050 /nfs/dbraw/zinc/35/80/50/213358050.db2.gz YHRVEIPJOBWHGP-UHFFFAOYSA-N 0 0 347.806 4.162 10 5 EIBERN CC(C)CN(CC(C)C)c1ncnc(Nc2ccccc2)c1[N+](=O)[O-] ZINC000040613899 213357790 /nfs/dbraw/zinc/35/77/90/213357790.db2.gz RTVLLQKHWYPHBZ-UHFFFAOYSA-N 0 0 343.431 4.247 10 5 EIBERN Cc1ccc(C)c(Nc2ncnc(N3CCCCCC3)c2[N+](=O)[O-])c1 ZINC000040591761 213356757 /nfs/dbraw/zinc/35/67/57/213356757.db2.gz VGNKYMXNKFSCSH-UHFFFAOYSA-N 0 0 341.415 4.126 10 5 EIBERN Cc1ccccc1Nc1ncnc(NC2CCCCC2)c1[N+](=O)[O-] ZINC000040598118 213356332 /nfs/dbraw/zinc/35/63/32/213356332.db2.gz IHPIKGULBQPEBQ-UHFFFAOYSA-N 0 0 327.388 4.181 10 5 EIBERN O=[N+]([O-])c1cccc(CSc2nnc(/C=C\c3ccccc3)o2)c1 ZINC000034890415 212994679 /nfs/dbraw/zinc/99/46/79/212994679.db2.gz AYXIDLCNKLOUOR-KTKRTIGZSA-N 0 0 339.376 4.441 10 5 EIBERN O=[N+]([O-])c1cc(Br)ccc1NC[C@@H]1C[C@H]2CC[C@@H]1C2 ZINC000111092877 220099694 /nfs/dbraw/zinc/09/96/94/220099694.db2.gz VSFXUOAJVUTEBC-AXFHLTTASA-N 0 0 325.206 4.205 10 5 EIBERN CCc1ccc([N+](=O)[O-])cc1C1=CCN(C(=O)OC(C)(C)C)CC1 ZINC000091353208 217996859 /nfs/dbraw/zinc/99/68/59/217996859.db2.gz OQNHJOZYZWZJNE-UHFFFAOYSA-N 0 0 332.400 4.181 10 5 EIBERN Cc1c(Cl)cccc1Nc1ncnc(N2CCCCC2)c1[N+](=O)[O-] ZINC000040588400 132403655 /nfs/dbraw/zinc/40/36/55/132403655.db2.gz ADTHVEYXMQUHIW-UHFFFAOYSA-N 0 0 347.806 4.081 10 5 EIBERN Nc1ccc(CSc2ccc(Br)cc2)cc1[N+](=O)[O-] ZINC000050838025 214072072 /nfs/dbraw/zinc/07/20/72/214072072.db2.gz PAZJJWXPAUURJC-UHFFFAOYSA-N 0 0 339.214 4.232 10 5 EIBERN Nc1ccc(CSc2cccc(Br)c2)cc1[N+](=O)[O-] ZINC000055309661 214305338 /nfs/dbraw/zinc/30/53/38/214305338.db2.gz WARNQHYPBRKATP-UHFFFAOYSA-N 0 0 339.214 4.232 10 5 EIBERN O=[N+]([O-])c1c(Nc2ccc(Cl)cc2)ncnc1OC1CCCCC1 ZINC000040649144 213363847 /nfs/dbraw/zinc/36/38/47/213363847.db2.gz LGHFRTFAXMNODY-UHFFFAOYSA-N 0 0 348.790 4.493 10 5 EIBERN CC(C)Oc1ncnc(Nc2cc(Cl)cc(Cl)c2)c1[N+](=O)[O-] ZINC000040588083 213354720 /nfs/dbraw/zinc/35/47/20/213354720.db2.gz ANPYGZDMPANRMA-UHFFFAOYSA-N 0 0 343.170 4.222 10 5 EIBERN Cc1ccc(C)c(Nc2ncnc(NC3CCCC3)c2[N+](=O)[O-])c1 ZINC000040592325 213356778 /nfs/dbraw/zinc/35/67/78/213356778.db2.gz CBPBFEDEFSQHDB-UHFFFAOYSA-N 0 0 327.388 4.100 10 5 EIBERN CCc1ccc(Nc2ncnc(Oc3ccccc3)c2[N+](=O)[O-])cc1 ZINC000040587363 213355513 /nfs/dbraw/zinc/35/55/13/213355513.db2.gz AJVVERDGQRHFNH-UHFFFAOYSA-N 0 0 336.351 4.483 10 5 EIBERN CCN(c1ccccc1)c1ncnc(OC2CCCCC2)c1[N+](=O)[O-] ZINC000040573617 213352451 /nfs/dbraw/zinc/35/24/51/213352451.db2.gz BRBMNONDMSHQFK-UHFFFAOYSA-N 0 0 342.399 4.254 10 5 EIBERN Cc1c(Cl)cccc1Nc1ncnc(NC(C)(C)C)c1[N+](=O)[O-] ZINC000040581503 213353764 /nfs/dbraw/zinc/35/37/64/213353764.db2.gz WBBKHGISVSQRCE-UHFFFAOYSA-N 0 0 335.795 4.301 10 5 EIBERN CC(C)CN(C(=O)c1cc(Cl)c(Cl)c([N+](=O)[O-])c1)C1CC1 ZINC000037985430 213183031 /nfs/dbraw/zinc/18/30/31/213183031.db2.gz MCLNYSXASSRBOL-UHFFFAOYSA-N 0 0 331.199 4.162 10 5 EIBERN Cc1ccc(-c2nc3cc([N+](=O)[O-])ccc3o2)cc1Br ZINC000226248166 257844055 /nfs/dbraw/zinc/84/40/55/257844055.db2.gz FNPNFCLHSQNBQO-UHFFFAOYSA-N 0 0 333.141 4.474 10 5 EIBERN O=[N+]([O-])c1cnc2c(Cl)cc(OC(F)(F)F)cc2c1Cl ZINC000584882099 563596035 /nfs/dbraw/zinc/59/60/35/563596035.db2.gz LVDUGEMCUMRGBT-UHFFFAOYSA-N 0 0 327.045 4.348 10 5 EIBERN O=[N+]([O-])c1ccc2oc(CN3CC=C(c4cccs4)CC3)nc2c1 ZINC000083198783 1021512672 /nfs/dbraw/zinc/51/26/72/1021512672.db2.gz WALIFFFPTUEFEN-UHFFFAOYSA-N 0 0 341.392 4.087 10 5 EIBERN O=[N+]([O-])c1ccc(Oc2ncccc2Br)cc1Cl ZINC000050471610 214058264 /nfs/dbraw/zinc/05/82/64/214058264.db2.gz BUPGNZBAXUDWMQ-UHFFFAOYSA-N 0 0 329.537 4.198 10 5 EIBERN O=[N+]([O-])c1ccc(F)c(F)c1NCc1ccc(Br)s1 ZINC000053163544 214168004 /nfs/dbraw/zinc/16/80/04/214168004.db2.gz DYLCULKJMLFCJX-UHFFFAOYSA-N 0 0 349.156 4.309 10 5 EIBERN C[S@](=O)(=S)OCc1ccc2ccc3cccc4ccc1c2c34 ZINC000100420640 219099463 /nfs/dbraw/zinc/09/94/63/219099463.db2.gz QFLPDRNHUDOWOQ-JOCHJYFZSA-N 0 0 326.442 4.392 10 5 EIBERN Cc1ccc(CNc2ncnc(Nc3ccc(C)cc3)c2[N+](=O)[O-])cc1 ZINC000040648946 213364020 /nfs/dbraw/zinc/36/40/20/213364020.db2.gz QOMKDFMVKSXHHG-UHFFFAOYSA-N 0 0 349.394 4.357 10 5 EIBERN Cc1cccc(Nc2ncnc(OC3CCCCC3)c2[N+](=O)[O-])c1 ZINC000040648576 213363818 /nfs/dbraw/zinc/36/38/18/213363818.db2.gz UGXVGTPWNFKHGH-UHFFFAOYSA-N 0 0 328.372 4.148 10 5 EIBERN O=[N+]([O-])c1c(Nc2ccccc2)ncnc1Nc1ccc(F)cc1F ZINC000040647956 213363830 /nfs/dbraw/zinc/36/38/30/213363830.db2.gz NWGOPJPJBVQEOG-UHFFFAOYSA-N 0 0 343.293 4.150 10 5 EIBERN O=[N+]([O-])c1c(Nc2ccc(F)cc2)ncnc1NC1CCCCCC1 ZINC000040649429 213363837 /nfs/dbraw/zinc/36/38/37/213363837.db2.gz HGXQNWOJCQHEBR-UHFFFAOYSA-N 0 0 345.378 4.402 10 5 EIBERN O=[N+]([O-])c1c(Nc2ccc(Cl)cc2)ncnc1NC1CCCC1 ZINC000040649123 213363861 /nfs/dbraw/zinc/36/38/61/213363861.db2.gz QLNHDIZYDMOBOV-UHFFFAOYSA-N 0 0 333.779 4.136 10 5 EIBERN Cc1cc(C)cc(Nc2ncnc(NC3CCCCC3)c2[N+](=O)[O-])c1 ZINC000040582927 213354083 /nfs/dbraw/zinc/35/40/83/213354083.db2.gz FEDVOXMYUUWRKT-UHFFFAOYSA-N 0 0 341.415 4.490 10 5 EIBERN O=[N+]([O-])c1c(Nc2cccc(Cl)c2)ncnc1N1CCCCCC1 ZINC000040610053 213357449 /nfs/dbraw/zinc/35/74/49/213357449.db2.gz SLAJMUNKLOEKAS-UHFFFAOYSA-N 0 0 347.806 4.162 10 5 EIBERN Cc1ccc(Oc2ncnc(NC3CCCCC3)c2[N+](=O)[O-])cc1 ZINC000040598306 213356952 /nfs/dbraw/zinc/35/69/52/213356952.db2.gz CQTKLUVWELIOQO-UHFFFAOYSA-N 0 0 328.372 4.230 10 5 EIBERN Cc1ccc(Nc2ncnc(NC3CCCCC3)c2[N+](=O)[O-])cc1 ZINC000040598142 213356558 /nfs/dbraw/zinc/35/65/58/213356558.db2.gz ZRCDGNZJIDNQDI-UHFFFAOYSA-N 0 0 327.388 4.181 10 5 EIBERN CCN(c1ccccc1)c1ncnc(NC2CCCCC2)c1[N+](=O)[O-] ZINC000040573227 213352118 /nfs/dbraw/zinc/35/21/18/213352118.db2.gz WECLUGMLGAFCBR-UHFFFAOYSA-N 0 0 341.415 4.287 10 5 EIBERN CC(C)(C)Nc1ncnc(Nc2cccc3ccccc32)c1[N+](=O)[O-] ZINC000040581659 213353291 /nfs/dbraw/zinc/35/32/91/213353291.db2.gz NCOVRBZOTMCUDX-UHFFFAOYSA-N 0 0 337.383 4.492 10 5 EIBERN Cc1nc([C@@H](C)Nc2ccc(Br)cc2[N+](=O)[O-])cs1 ZINC000037140095 213134330 /nfs/dbraw/zinc/13/43/30/213134330.db2.gz HZEXHEFDHDFINU-SSDOTTSWSA-N 0 0 342.218 4.295 10 5 EIBERN CCCCC(=O)Nc1nc(C)c(Cc2ccc([N+](=O)[O-])cc2)s1 ZINC000036639207 213106435 /nfs/dbraw/zinc/10/64/35/213106435.db2.gz RLLITAFLINPPEE-UHFFFAOYSA-N 0 0 333.413 4.079 10 5 EIBERN Cc1ccc(N2C(=O)CS[C@@H]2c2ccccc2[N+](=O)[O-])cc1Cl ZINC000000423824 209587091 /nfs/dbraw/zinc/58/70/91/209587091.db2.gz QEIKWGXJCUMCFR-MRXNPFEDSA-N 0 0 348.811 4.335 10 5 EIBERN Cc1cc(C)cc(Sc2c3ccccc3[nH]c(=O)c2[N+](=O)[O-])c1 ZINC000005892128 210554379 /nfs/dbraw/zinc/55/43/79/210554379.db2.gz CQEBYYQVFPXTQH-UHFFFAOYSA-N 0 0 326.377 4.204 10 5 EIBERN CC(C)c1ccc(Nc2ncnc(N3CCCCC3)c2[N+](=O)[O-])cc1 ZINC000040594338 535372950 /nfs/dbraw/zinc/37/29/50/535372950.db2.gz SVFMPMSITIXQLB-UHFFFAOYSA-N 0 0 341.415 4.242 10 5 EIBERN CC[N+]([O-])(CC)CCOC(=O)[C@@H](c1ccccc1)C1CCCCC1 ZINC000725435641 717188633 /nfs/dbraw/zinc/18/86/33/717188633.db2.gz CJOCGZBTNQHPDM-IBGZPJMESA-N 0 0 334.480 4.140 10 5 EIBERN O=[N+]([O-])c1ccc(F)c(F)c1Oc1cccc(Br)c1 ZINC000053162601 214167935 /nfs/dbraw/zinc/16/79/35/214167935.db2.gz RJTRATAUABSIPJ-UHFFFAOYSA-N 0 0 330.084 4.428 10 5 EIBERN O=[N+]([O-])c1ccc2c(c1)ncnc2Nc1cccc(Br)c1 ZINC000003815406 210076876 /nfs/dbraw/zinc/07/68/76/210076876.db2.gz RZBBKHCMKJSCKV-UHFFFAOYSA-N 0 0 345.156 4.044 10 5 EIBERN C[C@H]1CCC[C@@H](Sc2ncc(Br)cc2[N+](=O)[O-])C1 ZINC000103979082 219335252 /nfs/dbraw/zinc/33/52/52/219335252.db2.gz XTEJCNNFSQISMI-WCBMZHEXSA-N 0 0 331.235 4.423 10 5 EIBERN Cc1cc(C)c(C)c(OCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000040868600 213395840 /nfs/dbraw/zinc/39/58/40/213395840.db2.gz IBNOWRXNAUOFEX-UHFFFAOYSA-N 0 0 348.786 4.191 10 5 EIBERN O=[N+]([O-])c1c(Nc2ccc(F)cc2)ncnc1Nc1ccc(F)cc1 ZINC000040649346 213363521 /nfs/dbraw/zinc/36/35/21/213363521.db2.gz CDKLAQHJVASFPZ-UHFFFAOYSA-N 0 0 343.293 4.150 10 5 EIBERN Cc1cccc(Nc2ncnc(Nc3ccccc3C)c2[N+](=O)[O-])c1 ZINC000040647995 213363936 /nfs/dbraw/zinc/36/39/36/213363936.db2.gz WHUCUCAYSNRVFU-UHFFFAOYSA-N 0 0 335.367 4.489 10 5 EIBERN Cc1ccc(Nc2ncnc(NCc3ccccc3)c2[N+](=O)[O-])cc1 ZINC000040599356 213357610 /nfs/dbraw/zinc/35/76/10/213357610.db2.gz ILCWJVVJKDTUCF-UHFFFAOYSA-N 0 0 335.367 4.049 10 5 EIBERN Cc1cccc(Nc2ncnc(NC3CCCCC3)c2[N+](=O)[O-])c1 ZINC000040598130 213357106 /nfs/dbraw/zinc/35/71/06/213357106.db2.gz ROOMXWORRUMWFE-UHFFFAOYSA-N 0 0 327.388 4.181 10 5 EIBERN O=[N+]([O-])c1c(Nc2ccc(F)cc2)ncnc1NC1CCCCC1 ZINC000040598154 213356531 /nfs/dbraw/zinc/35/65/31/213356531.db2.gz UCWPLKUVTREGCU-UHFFFAOYSA-N 0 0 331.351 4.012 10 5 EIBERN CCNc1ncnc(NC(c2ccccc2)c2ccccc2)c1[N+](=O)[O-] ZINC000040596386 213356377 /nfs/dbraw/zinc/35/63/77/213356377.db2.gz DZGGKBBSJYZHBE-UHFFFAOYSA-N 0 0 349.394 4.018 10 5 EIBERN CCCNc1ncnc(Nc2cccc(Cl)c2Cl)c1[N+](=O)[O-] ZINC000040596896 213356161 /nfs/dbraw/zinc/35/61/61/213356161.db2.gz RHNBWXOUYMLOBV-UHFFFAOYSA-N 0 0 342.186 4.257 10 5 EIBERN O=[N+]([O-])c1ccccc1COc1ccn(-c2ccc(Cl)cc2)n1 ZINC000038243634 213206520 /nfs/dbraw/zinc/20/65/20/213206520.db2.gz UITWYQJNAOKGNX-UHFFFAOYSA-N 0 0 329.743 4.013 10 5 EIBERN O=[N+]([O-])c1ccc(Cl)nc1Oc1ccc(F)cc1Br ZINC000038082219 213201196 /nfs/dbraw/zinc/20/11/96/213201196.db2.gz WFPYEMOKRGTKHA-UHFFFAOYSA-N 0 0 347.527 4.337 10 5 EIBERN CC(C)C[C@@H](C)N(C)C(=O)c1cc(Cl)c(Cl)c([N+](=O)[O-])c1 ZINC000037984251 213182227 /nfs/dbraw/zinc/18/22/27/213182227.db2.gz GPLDEJBAGNGCED-SECBINFHSA-N 0 0 333.215 4.408 10 5 EIBERN O=[N+]([O-])c1c(F)cccc1Oc1ccc(F)cc1Br ZINC000037419904 213147361 /nfs/dbraw/zinc/14/73/61/213147361.db2.gz OMDXUTQTDMIDCG-UHFFFAOYSA-N 0 0 330.084 4.428 10 5 EIBERN O=C1CC(/C=C/c2ccc([N+](=O)[O-])cc2)=Nc2ccc(Cl)cc2N1 ZINC000072236426 216076036 /nfs/dbraw/zinc/07/60/36/216076036.db2.gz RLMXBXAJEFXOFQ-ORCRQEGFSA-N 0 0 341.754 4.376 10 5 EIBERN O=C(Nc1ccc(F)cc1)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000000258349 209506918 /nfs/dbraw/zinc/50/69/18/209506918.db2.gz AUSOAYRVFDGVEU-UHFFFAOYSA-N 0 0 326.283 4.246 10 5 EIBERN C[C@@H]1C[C@@H](C)CN(c2c(Cl)cc([N+](=O)[O-])cc2Br)C1 ZINC000226316644 242097481 /nfs/dbraw/zinc/09/74/81/242097481.db2.gz AVLXVPWEBRTLEK-RKDXNWHRSA-N 0 0 347.640 4.493 10 5 EIBERN C[C@H]1C[C@H](C)CN(c2c(Cl)cc([N+](=O)[O-])cc2Br)C1 ZINC000226316652 242098924 /nfs/dbraw/zinc/09/89/24/242098924.db2.gz AVLXVPWEBRTLEK-IUCAKERBSA-N 0 0 347.640 4.493 10 5 EIBERN O=[N+]([O-])c1c(Nc2cccc3ccccc32)ncnc1N1CCCCC1 ZINC000040609525 132403777 /nfs/dbraw/zinc/40/37/77/132403777.db2.gz PHMCRQBYZXHUSV-UHFFFAOYSA-N 0 0 349.394 4.272 10 5 EIBERN O=C(c1ccccc1)c1ccc([N+](=O)[O-])cc1Oc1ccccc1O ZINC000065742969 564134404 /nfs/dbraw/zinc/13/44/04/564134404.db2.gz BULXAFQDQFCERH-UHFFFAOYSA-N 0 0 335.315 4.324 10 5 in-vitro EIBERN O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CC=C(c2cccs2)CC1 ZINC000121604048 1028907449 /nfs/dbraw/zinc/90/74/49/1028907449.db2.gz VMBLYJIQWBKABT-UHFFFAOYSA-N 0 0 348.811 4.239 10 5 EIBERN O=[N+]([O-])c1ccc(NC(=S)c2ccc(C(F)(F)F)cc2)cc1 ZINC000098178023 219086417 /nfs/dbraw/zinc/08/64/17/219086417.db2.gz CJHQGNWADYISTI-UHFFFAOYSA-N 0 0 326.299 4.401 10 5 EIBERN O=[N+]([O-])c1c(Nc2ccccc2Cl)ncnc1NC1CCCC1 ZINC000040648203 213363474 /nfs/dbraw/zinc/36/34/74/213363474.db2.gz FNIFUNHRRWCUPC-UHFFFAOYSA-N 0 0 333.779 4.136 10 5 EIBERN Cc1ccc(Nc2ncnc(Nc3ccccc3)c2[N+](=O)[O-])cc1C ZINC000040590081 213354789 /nfs/dbraw/zinc/35/47/89/213354789.db2.gz VKUSSSNVWSTXNI-UHFFFAOYSA-N 0 0 335.367 4.489 10 5 EIBERN Cc1cccc(Nc2ncnc(NC3CCCCC3)c2[N+](=O)[O-])c1C ZINC000040598002 213356593 /nfs/dbraw/zinc/35/65/93/213356593.db2.gz ZTWXWZQKZPGHQE-UHFFFAOYSA-N 0 0 341.415 4.490 10 5 EIBERN CCN(c1ccccc1)c1ncnc(Oc2ccccc2)c1[N+](=O)[O-] ZINC000040573515 213352313 /nfs/dbraw/zinc/35/23/13/213352313.db2.gz NIAZYBVZOIEKMR-UHFFFAOYSA-N 0 0 336.351 4.335 10 5 EIBERN O=[N+]([O-])c1ccc(C(=S)Nc2ccc(Br)cc2)cc1 ZINC000038260311 213206651 /nfs/dbraw/zinc/20/66/51/213206651.db2.gz WGGZOIGNWRNFBL-UHFFFAOYSA-N 0 0 337.198 4.145 10 5 EIBERN Cc1cc([N+](=O)[O-])ccc1NCc1cc(F)ccc1Br ZINC000038039522 213195201 /nfs/dbraw/zinc/19/52/01/213195201.db2.gz HNTAWUISFNQNRL-UHFFFAOYSA-N 0 0 339.164 4.417 10 5 EIBERN COc1cc([N+](=O)[O-])ccc1NCc1ccc(Br)s1 ZINC000037061966 213131441 /nfs/dbraw/zinc/13/14/41/213131441.db2.gz BULORUBKLBEWGY-UHFFFAOYSA-N 0 0 343.202 4.040 10 5 EIBERN Cc1nc([C@H](C)Nc2ccc(Br)cc2[N+](=O)[O-])cs1 ZINC000037140096 213134549 /nfs/dbraw/zinc/13/45/49/213134549.db2.gz HZEXHEFDHDFINU-ZETCQYMHSA-N 0 0 342.218 4.295 10 5 EIBERN CCc1cc([N+](=O)[O-])cc(Br)c1N1CCC[C@H](C)C1 ZINC000226315702 242098399 /nfs/dbraw/zinc/09/83/99/242098399.db2.gz MBYWOQDBKMEBCA-JTQLQIEISA-N 0 0 327.222 4.156 10 5 EIBERN Cc1ccc(Oc2ncnc(N3CCC(C)CC3)c2[N+](=O)[O-])cc1C ZINC000040613019 132404675 /nfs/dbraw/zinc/40/46/75/132404675.db2.gz RGUVDSLIFVTTLJ-UHFFFAOYSA-N 0 0 342.399 4.030 10 5 EIBERN O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CC=C(c2cccs2)CC1 ZINC000117721708 1044524127 /nfs/dbraw/zinc/52/41/27/1044524127.db2.gz UPYNQVVJBQVSEY-UHFFFAOYSA-N 0 0 348.811 4.239 10 5 EIBERN O=[N+]([O-])c1cc(F)ccc1OCc1ccccc1Br ZINC000052065729 214115543 /nfs/dbraw/zinc/11/55/43/214115543.db2.gz NEEKLYOGRSJFCI-UHFFFAOYSA-N 0 0 326.121 4.075 10 5 EIBERN COc1cc([N+](=O)[O-])ccc1NC(=O)CCc1ccc(C(C)C)cc1 ZINC000040996015 213406800 /nfs/dbraw/zinc/40/68/00/213406800.db2.gz WTZZQHKJQJLRQW-UHFFFAOYSA-N 0 0 342.395 4.298 10 5 EIBERN Cc1cccc(Nc2ncnc(Nc3ccccc3F)c2[N+](=O)[O-])c1 ZINC000040627535 213360809 /nfs/dbraw/zinc/36/08/09/213360809.db2.gz QYDXVUBPYOKXRO-UHFFFAOYSA-N 0 0 339.330 4.320 10 5 EIBERN CC(C)Nc1ncnc(Nc2ccc(Cl)cc2Cl)c1[N+](=O)[O-] ZINC000040597573 213356697 /nfs/dbraw/zinc/35/66/97/213356697.db2.gz YMFRARWVATXSKX-UHFFFAOYSA-N 0 0 342.186 4.256 10 5 EIBERN Cc1ccc(C)c(Nc2ncnc(OC3CCCCC3)c2[N+](=O)[O-])c1 ZINC000040592389 213356728 /nfs/dbraw/zinc/35/67/28/213356728.db2.gz JZADVVKRXFPMNN-UHFFFAOYSA-N 0 0 342.399 4.457 10 5 EIBERN CC(C)Nc1ncnc(Nc2cccc(Cl)c2Cl)c1[N+](=O)[O-] ZINC000040597493 213356053 /nfs/dbraw/zinc/35/60/53/213356053.db2.gz NQOIQJDWQBSORA-UHFFFAOYSA-N 0 0 342.186 4.256 10 5 EIBERN CCc1ccccc1Nc1ncnc(Oc2ccccc2)c1[N+](=O)[O-] ZINC000040587135 213354968 /nfs/dbraw/zinc/35/49/68/213354968.db2.gz CZCMRNMCUIDSBN-UHFFFAOYSA-N 0 0 336.351 4.483 10 5 EIBERN CCCOc1ccccc1/C=C/C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000001927458 209806961 /nfs/dbraw/zinc/80/69/61/209806961.db2.gz IHYXYESEOXZEMV-ZHACJKMWSA-N 0 0 326.352 4.036 10 5 EIBERN O=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1cc(Cl)nc(Cl)c1 ZINC000037976147 213179190 /nfs/dbraw/zinc/17/91/90/213179190.db2.gz JFTPNRPYNHYOEQ-UHFFFAOYSA-N 0 0 346.557 4.202 10 5 EIBERN Cc1cc(Br)ccc1Nc1nc(Cl)ccc1[N+](=O)[O-] ZINC000037331617 213140619 /nfs/dbraw/zinc/14/06/19/213140619.db2.gz AEPDPGJWMZVDGV-UHFFFAOYSA-N 0 0 342.580 4.458 10 5 EIBERN O=[N+]([O-])c1cccc(-c2ccnc(Nc3ccc(Cl)cc3)n2)c1 ZINC000072443550 216236226 /nfs/dbraw/zinc/23/62/26/216236226.db2.gz HOCKALPJNHAKEN-UHFFFAOYSA-N 0 0 326.743 4.449 10 5 EIBERN Cc1ccc(NC(=S)Nc2cc([N+](=O)[O-])ccc2Cl)c(O)c1 ZINC000010751423 211187998 /nfs/dbraw/zinc/18/79/98/211187998.db2.gz CDRRXZFGOIZLHA-UHFFFAOYSA-N 0 0 337.788 4.071 10 5 EIBERN O=[N+]([O-])c1cccc(CCSCCc2cccc([N+](=O)[O-])c2)c1 ZINC000096327057 262508384 /nfs/dbraw/zinc/50/83/84/262508384.db2.gz FPFMECBKQOLDDO-UHFFFAOYSA-N 0 0 332.381 4.021 10 5 EIBERN O=[N+]([O-])c1ccc2oc(-c3c(F)c(F)c(F)c(F)c3F)nc2c1 ZINC000226248627 564117227 /nfs/dbraw/zinc/11/72/27/564117227.db2.gz DPIXDIJAATVZJN-UHFFFAOYSA-N 0 0 330.168 4.099 10 5 EIBERN O=[N+]([O-])c1cc(Cl)ccc1CN1CCC[C@@H](c2nccs2)C1 ZINC000116275004 1044157129 /nfs/dbraw/zinc/15/71/29/1044157129.db2.gz VBFCWRKRWSCGFC-GFCCVEGCSA-N 0 0 337.832 4.084 10 5 EIBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC=C(c2cccs2)CC1 ZINC000118007112 1044588637 /nfs/dbraw/zinc/58/86/37/1044588637.db2.gz SFVMYQSTVNHFIG-UHFFFAOYSA-N 0 0 343.408 4.286 10 5 EIBERN Cc1ccc(Oc2ncnc(NC3CCCC3)c2[N+](=O)[O-])cc1C ZINC000040661140 213365552 /nfs/dbraw/zinc/36/55/52/213365552.db2.gz HCJALMMACBYSLT-UHFFFAOYSA-N 0 0 328.372 4.148 10 5 EIBERN Cc1ccc(Oc2ncnc(Nc3ccc(F)cc3)c2[N+](=O)[O-])cc1 ZINC000040649395 213363904 /nfs/dbraw/zinc/36/39/04/213363904.db2.gz DNXVIOJEWFOZHI-UHFFFAOYSA-N 0 0 340.314 4.368 10 5 EIBERN Cc1ccc(Oc2ncnc(OC3CCCCC3)c2[N+](=O)[O-])cc1 ZINC000040659822 213364666 /nfs/dbraw/zinc/36/46/66/213364666.db2.gz LCYFGCQRKFXHKA-UHFFFAOYSA-N 0 0 329.356 4.197 10 5 EIBERN Cc1ccccc1Nc1ncnc(Nc2ccccc2C)c1[N+](=O)[O-] ZINC000040647991 213363538 /nfs/dbraw/zinc/36/35/38/213363538.db2.gz QNOVZFYIJXFCHC-UHFFFAOYSA-N 0 0 335.367 4.489 10 5 EIBERN Cc1cccc(Nc2ncnc(NC3CCCC3)c2[N+](=O)[O-])c1C ZINC000040620820 213359328 /nfs/dbraw/zinc/35/93/28/213359328.db2.gz DEHPIVXCEATTGW-UHFFFAOYSA-N 0 0 327.388 4.100 10 5 EIBERN Cc1ccc(Nc2ncnc(N3CCCCCC3)c2[N+](=O)[O-])c(C)c1 ZINC000040610011 213358446 /nfs/dbraw/zinc/35/84/46/213358446.db2.gz BESYECMACYHCSS-UHFFFAOYSA-N 0 0 341.415 4.126 10 5 EIBERN Cc1cccc(Nc2ncnc(NCc3ccccc3)c2[N+](=O)[O-])c1 ZINC000040599344 213358546 /nfs/dbraw/zinc/35/85/46/213358546.db2.gz OEMUEPHKRVDDPL-UHFFFAOYSA-N 0 0 335.367 4.049 10 5 EIBERN CC(C)Nc1ncnc(Nc2cc(Cl)cc(Cl)c2)c1[N+](=O)[O-] ZINC000040587941 213355146 /nfs/dbraw/zinc/35/51/46/213355146.db2.gz MJDWHCWHWXNORS-UHFFFAOYSA-N 0 0 342.186 4.256 10 5 EIBERN CCCNc1ncnc(Nc2ccc(Cl)c(Cl)c2)c1[N+](=O)[O-] ZINC000040591232 213354621 /nfs/dbraw/zinc/35/46/21/213354621.db2.gz POUFCPKMVFUMPU-UHFFFAOYSA-N 0 0 342.186 4.257 10 5 EIBERN CC(C)CN(CC(C)C)c1ncnc(NC2CCCCC2)c1[N+](=O)[O-] ZINC000040597959 213357102 /nfs/dbraw/zinc/35/71/02/213357102.db2.gz CNUSVIOVAFWONT-UHFFFAOYSA-N 0 0 349.479 4.248 10 5 EIBERN O=[N+]([O-])c1c(Nc2ccc(F)c(F)c2)ncnc1NC1CCCCC1 ZINC000040598390 213356547 /nfs/dbraw/zinc/35/65/47/213356547.db2.gz GQNONAHDVADPFX-UHFFFAOYSA-N 0 0 349.341 4.151 10 5 EIBERN CCCNc1ncnc(Oc2cc(C)c(Cl)c(C)c2)c1[N+](=O)[O-] ZINC000040597119 213356201 /nfs/dbraw/zinc/35/62/01/213356201.db2.gz QWVSOVJWLYHZOS-UHFFFAOYSA-N 0 0 336.779 4.269 10 5 EIBERN Cc1cc(Cl)ccc1Nc1ncnc(NC2CCCC2)c1[N+](=O)[O-] ZINC000040590710 213355327 /nfs/dbraw/zinc/35/53/27/213355327.db2.gz RLIHGOAECZDXLU-UHFFFAOYSA-N 0 0 347.806 4.445 10 5 EIBERN O=[N+]([O-])c1ccc(NCc2ccc(F)c(Br)c2)cc1 ZINC000037061560 213131370 /nfs/dbraw/zinc/13/13/70/213131370.db2.gz OPCYQNIANQBAEX-UHFFFAOYSA-N 0 0 325.137 4.109 10 5 EIBERN Cc1ncsc1[C@H](C)Nc1ccc(Br)cc1[N+](=O)[O-] ZINC000037318432 213140900 /nfs/dbraw/zinc/14/09/00/213140900.db2.gz WFCICIBMDLDRAL-QMMMGPOBSA-N 0 0 342.218 4.295 10 5 EIBERN C[C@H]1CCCN(c2c(Cl)cc([N+](=O)[O-])cc2Br)C1 ZINC000226316636 242097552 /nfs/dbraw/zinc/09/75/52/242097552.db2.gz MSNNZHVBKBLHDX-QMMMGPOBSA-N 0 0 333.613 4.247 10 5 EIBERN CCc1cc([N+](=O)[O-])cc(Br)c1N1CCC(C)CC1 ZINC000226315310 242098357 /nfs/dbraw/zinc/09/83/57/242098357.db2.gz WORXJPHIWRQCOQ-UHFFFAOYSA-N 0 0 327.222 4.156 10 5 EIBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Oc1ccc(C(C)C)cc1 ZINC000008108778 210896148 /nfs/dbraw/zinc/89/61/48/210896148.db2.gz DIIJBQUHQODNAX-AWEZNQCLSA-N 0 0 342.395 4.433 10 5 EIBERN Cc1ccc(NC(=O)COc2ccc(C(C)C)c(C)c2)c([N+](=O)[O-])c1 ZINC000005698336 210519624 /nfs/dbraw/zinc/51/96/24/210519624.db2.gz VNAVHGJRQZSJHV-UHFFFAOYSA-N 0 0 342.395 4.353 10 5 EIBERN Cc1cc([N+](=O)[O-])cc2nc(-c3c(F)c(F)c(F)c(F)c3F)oc21 ZINC000226248615 257843995 /nfs/dbraw/zinc/84/39/95/257843995.db2.gz CGFLILJXMLKTEU-UHFFFAOYSA-N 0 0 344.195 4.407 10 5 EIBERN Cc1ccc([C@H]2SCCN2C(=O)c2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000000328879 563991226 /nfs/dbraw/zinc/99/12/26/563991226.db2.gz GCIHHZLVBGILJD-GOSISDBHSA-N 0 0 342.420 4.099 10 5 EIBERN NC(=O)c1ccc2c(c1)nc(Nc1cccc(Cl)c1)c1ccncc21 ZINC000066104860 215012474 /nfs/dbraw/zinc/01/24/74/215012474.db2.gz JPYQFPGTGGLOMD-UHFFFAOYSA-N 0 0 348.793 4.279 10 5 EIBERN C[C@H]1CCC[C@H](Sc2ncc(Br)cc2[N+](=O)[O-])C1 ZINC000103979075 219334808 /nfs/dbraw/zinc/33/48/08/219334808.db2.gz XTEJCNNFSQISMI-WPRPVWTQSA-N 0 0 331.235 4.423 10 5 EIBERN O=[N+]([O-])c1c(Nc2ccccc2Cl)ncnc1OC1CCCCC1 ZINC000040648224 213364354 /nfs/dbraw/zinc/36/43/54/213364354.db2.gz MFESXUROQOIQEJ-UHFFFAOYSA-N 0 0 348.790 4.493 10 5 EIBERN Cc1ccc(Nc2ncnc(Nc3cccc(C)c3)c2[N+](=O)[O-])cc1 ZINC000040648473 213363953 /nfs/dbraw/zinc/36/39/53/213363953.db2.gz ABVVUIMUZZVJDD-UHFFFAOYSA-N 0 0 335.367 4.489 10 5 EIBERN O=[N+]([O-])c1c(Nc2ccccc2)ncnc1Nc1ccccc1F ZINC000040627521 213361584 /nfs/dbraw/zinc/36/15/84/213361584.db2.gz UKVQKEGVKQIUKS-UHFFFAOYSA-N 0 0 325.303 4.011 10 5 EIBERN CN(c1ccccc1)c1ncnc(NC2CCCCCC2)c1[N+](=O)[O-] ZINC000040625613 213360682 /nfs/dbraw/zinc/36/06/82/213360682.db2.gz RWHSRNSCSVLKIK-UHFFFAOYSA-N 0 0 341.415 4.287 10 5 EIBERN Cc1ccc(Nc2ncnc(NC3CCCC3)c2[N+](=O)[O-])c(C)c1 ZINC000040621324 213359494 /nfs/dbraw/zinc/35/94/94/213359494.db2.gz ZEPWYEXWEMTCPX-UHFFFAOYSA-N 0 0 327.388 4.100 10 5 EIBERN Cc1cccc(Nc2ncnc(NCc3ccccc3)c2[N+](=O)[O-])c1C ZINC000040599217 213357589 /nfs/dbraw/zinc/35/75/89/213357589.db2.gz CSNGESIBFCVLOB-UHFFFAOYSA-N 0 0 349.394 4.357 10 5 EIBERN CCN(CC)c1ncnc(Nc2ccc(C(C)C)cc2)c1[N+](=O)[O-] ZINC000040594330 213356827 /nfs/dbraw/zinc/35/68/27/213356827.db2.gz DMUBEZWDDIBRGI-UHFFFAOYSA-N 0 0 329.404 4.098 10 5 EIBERN Cc1ccc(C)c(Nc2ncnc(Nc3ccccc3)c2[N+](=O)[O-])c1 ZINC000040592003 213356214 /nfs/dbraw/zinc/35/62/14/213356214.db2.gz DWMMKPCOJMAXNL-UHFFFAOYSA-N 0 0 335.367 4.489 10 5 EIBERN CCc1ccccc1Nc1ncnc(N(C)c2ccccc2)c1[N+](=O)[O-] ZINC000040587047 213355418 /nfs/dbraw/zinc/35/54/18/213355418.db2.gz MKRVYITUHMJSDY-UHFFFAOYSA-N 0 0 349.394 4.459 10 5 EIBERN Cc1c(Cl)ccc2c(NC(=O)c3cccc([N+](=O)[O-])c3)ccnc12 ZINC000040359173 213293198 /nfs/dbraw/zinc/29/31/98/213293198.db2.gz RMNQSZXNUQKTED-UHFFFAOYSA-N 0 0 341.754 4.357 10 5 EIBERN O=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1nc(Cl)ccc1Cl ZINC000037976148 213178699 /nfs/dbraw/zinc/17/86/99/213178699.db2.gz OTDOJVPTZUHCJR-UHFFFAOYSA-N 0 0 346.557 4.202 10 5 EIBERN O=[N+]([O-])c1cc(CNc2cc(Br)ccc2F)cs1 ZINC000037562719 213156146 /nfs/dbraw/zinc/15/61/46/213156146.db2.gz ODVOVBQCZDGYPE-UHFFFAOYSA-N 0 0 331.166 4.170 10 5 EIBERN CCC(=O)C(C[C@@H](C)[N+](C)(C)[O-])(c1ccccc1)c1ccccc1 ZINC000032237065 212793381 /nfs/dbraw/zinc/79/33/81/212793381.db2.gz JAGZVXZVPUWAKA-QGZVFWFLSA-N 0 0 325.452 4.305 10 5 in-vitro EIBERN COc1ccc([C@@H](O)c2ccc(-c3ccccc3)cc2)cc1[N+](=O)[O-] ZINC000226293453 242094751 /nfs/dbraw/zinc/09/47/51/242094751.db2.gz LDGLEJPOPBNTFB-FQEVSTJZSA-N 0 0 335.359 4.352 10 5 EIBERN O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccccc1C(=O)c1ccccc1 ZINC000005515707 210478820 /nfs/dbraw/zinc/47/88/20/210478820.db2.gz TZIZWEJJAPOVGO-UHFFFAOYSA-N 0 0 346.342 4.078 10 5 EIBERN CC[N+]([O-])(CC)CCOC(=O)[C@H](c1ccccc1)C1CCCCC1 ZINC000725435642 717188722 /nfs/dbraw/zinc/18/87/22/717188722.db2.gz CJOCGZBTNQHPDM-LJQANCHMSA-N 0 0 334.480 4.140 10 5 EIBERN O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CC=C(c2cccs2)CC1 ZINC000117719806 1044525702 /nfs/dbraw/zinc/52/57/02/1044525702.db2.gz ZMACILMUZVYYMC-UHFFFAOYSA-N 0 0 348.811 4.239 10 5 EIBERN Cc1cc(C)cc(Nc2ncnc(N3CCCCCC3)c2[N+](=O)[O-])c1 ZINC000040582937 213354341 /nfs/dbraw/zinc/35/43/41/213354341.db2.gz QCTCLCHSGZMMJD-UHFFFAOYSA-N 0 0 341.415 4.126 10 5 EIBERN Cc1cc(Oc2ncnc(NC(C)(C)C)c2[N+](=O)[O-])ccc1Cl ZINC000040581850 213354096 /nfs/dbraw/zinc/35/40/96/213354096.db2.gz DVUWABUZSWUQKT-UHFFFAOYSA-N 0 0 336.779 4.349 10 5 EIBERN CCc1ccc(Nc2ncnc(Nc3ccccc3)c2[N+](=O)[O-])cc1 ZINC000040587302 213355604 /nfs/dbraw/zinc/35/56/04/213355604.db2.gz QPLFWDITMCZREM-UHFFFAOYSA-N 0 0 335.367 4.434 10 5 EIBERN Cc1ccc(Oc2ncnc(N3CCc4ccccc43)c2[N+](=O)[O-])cc1 ZINC000040586209 213355495 /nfs/dbraw/zinc/35/54/95/213355495.db2.gz MDYXDOQISWZLOU-UHFFFAOYSA-N 0 0 348.362 4.180 10 5 EIBERN CCN(c1ccccc1)c1ncnc(Nc2ccccc2)c1[N+](=O)[O-] ZINC000040573393 213352073 /nfs/dbraw/zinc/35/20/73/213352073.db2.gz HSJBLWPPYZFECT-UHFFFAOYSA-N 0 0 335.367 4.286 10 5 EIBERN Cc1cc(C)c2nc(C)cc(NC(=O)c3ccc([N+](=O)[O-])cc3)c2c1 ZINC000040177056 213279746 /nfs/dbraw/zinc/27/97/46/213279746.db2.gz CONWHLRYWTWFQP-UHFFFAOYSA-N 0 0 335.363 4.321 10 5 EIBERN O=C(COc1ccc([N+](=O)[O-])cc1)c1cc(Cl)ccc1Cl ZINC000037974470 213178929 /nfs/dbraw/zinc/17/89/29/213178929.db2.gz FZTAFPBKCPXNAM-UHFFFAOYSA-N 0 0 326.135 4.163 10 5 EIBERN O=[N+]([O-])c1ccc(Cl)nc1Nc1ccc(F)cc1Br ZINC000037331605 213140029 /nfs/dbraw/zinc/14/00/29/213140029.db2.gz UXALMUWOTQPROR-UHFFFAOYSA-N 0 0 346.543 4.288 10 5 EIBERN COc1ccc([C@H](O)c2ccc(-c3ccccc3)cc2)cc1[N+](=O)[O-] ZINC000226293457 242093988 /nfs/dbraw/zinc/09/39/88/242093988.db2.gz LDGLEJPOPBNTFB-HXUWFJFHSA-N 0 0 335.359 4.352 10 5 EIBERN Nc1nc2c(cc(C34CC5CC(CC(C5)C3)C4)cc2[N+](=O)[O-])s1 ZINC000226302879 242095753 /nfs/dbraw/zinc/09/57/53/242095753.db2.gz RDVWNCVRGGVQEY-UHFFFAOYSA-N 0 0 329.425 4.255 10 5 EIBERN O=C(c1ccccc1)N(Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000005515949 210480334 /nfs/dbraw/zinc/48/03/34/210480334.db2.gz PCNQDDQZYGLRFM-UHFFFAOYSA-N 0 0 332.359 4.442 10 5 EIBERN Cc1ccc(N2C(=O)CS[C@H]2c2ccccc2[N+](=O)[O-])cc1Cl ZINC000000423825 563998380 /nfs/dbraw/zinc/99/83/80/563998380.db2.gz QEIKWGXJCUMCFR-INIZCTEOSA-N 0 0 348.811 4.335 10 5 EIBERN O=[N+]([O-])c1cccc(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)c1 ZINC000048545034 564129357 /nfs/dbraw/zinc/12/93/57/564129357.db2.gz RRUWUWDPBIVBJR-UHFFFAOYSA-N 0 0 341.330 4.235 10 5 EIBERN CNc1c(Br)cc(-c2ccc(OC)cc2)cc1[N+](=O)[O-] ZINC000095942416 564141974 /nfs/dbraw/zinc/14/19/74/564141974.db2.gz AXFCAHUSZOIIAM-UHFFFAOYSA-N 0 0 337.173 4.075 10 5 EIBERN O=[N+]([O-])c1cc(Cl)ccc1CN1CCC[C@H](c2nccs2)C1 ZINC000116275000 1044156767 /nfs/dbraw/zinc/15/67/67/1044156767.db2.gz VBFCWRKRWSCGFC-LBPRGKRZSA-N 0 0 337.832 4.084 10 5 EIBERN Cc1cc(Oc2ncnc(OC(C)C)c2[N+](=O)[O-])cc(C)c1Cl ZINC000040659658 213365522 /nfs/dbraw/zinc/36/55/22/213365522.db2.gz ZYTOVSJNNUSTDC-UHFFFAOYSA-N 0 0 337.763 4.235 10 5 EIBERN Cc1ccc(Nc2ncnc(OC3CCCCC3)c2[N+](=O)[O-])cc1 ZINC000040649031 213364268 /nfs/dbraw/zinc/36/42/68/213364268.db2.gz VBMFLPXHEONOJA-UHFFFAOYSA-N 0 0 328.372 4.148 10 5 EIBERN Cc1ccccc1Nc1ncnc(N2CCc3ccccc32)c1[N+](=O)[O-] ZINC000040586148 213355165 /nfs/dbraw/zinc/35/51/65/213355165.db2.gz MNXVYXOTDKJXIU-UHFFFAOYSA-N 0 0 347.378 4.131 10 5 EIBERN CCCNc1ncnc(Nc2cc(Cl)cc(Cl)c2)c1[N+](=O)[O-] ZINC000040587940 213354641 /nfs/dbraw/zinc/35/46/41/213354641.db2.gz DTJCZTMYPIRFNN-UHFFFAOYSA-N 0 0 342.186 4.257 10 5 EIBERN O=[N+]([O-])c1c(NC2CCCCC2)ncnc1Sc1ccccc1 ZINC000040598177 213356192 /nfs/dbraw/zinc/35/61/92/213356192.db2.gz DNJYVXKOKSOWRR-UHFFFAOYSA-N 0 0 330.413 4.281 10 5 EIBERN CCN(c1cccc(C)c1)c1ncnc(NC(C)(C)C)c1[N+](=O)[O-] ZINC000040572143 213352855 /nfs/dbraw/zinc/35/28/55/213352855.db2.gz BFWAEDSFUGWHOA-UHFFFAOYSA-N 0 0 329.404 4.062 10 5 EIBERN CCc1cc([N+](=O)[O-])cc(Br)c1N1C[C@H](C)C[C@@H](C)C1 ZINC000226315721 242098863 /nfs/dbraw/zinc/09/88/63/242098863.db2.gz GJMDVYFVEQTRJA-GHMZBOCLSA-N 0 0 341.249 4.402 10 5 EIBERN CN(Cc1c(Br)cccc1[N+](=O)[O-])C1CCCCC1 ZINC000725263984 563986588 /nfs/dbraw/zinc/98/65/88/563986588.db2.gz ZLPUSSUWADSLHU-UHFFFAOYSA-N 0 0 327.222 4.122 10 5 EIBERN CN(c1ccccc1)c1ncnc(Nc2ccccc2F)c1[N+](=O)[O-] ZINC000040625277 213361858 /nfs/dbraw/zinc/36/18/58/213361858.db2.gz VYJUVWJEIZMWRS-UHFFFAOYSA-N 0 0 339.330 4.035 10 5 EIBERN O=[N+]([O-])c1c(Nc2ccccc2F)ncnc1Oc1ccccc1 ZINC000040627702 213360695 /nfs/dbraw/zinc/36/06/95/213360695.db2.gz JJBJIUVWKMIQBV-UHFFFAOYSA-N 0 0 326.287 4.060 10 5 EIBERN CCc1ccccc1Nc1ncnc(NC2CCCCC2)c1[N+](=O)[O-] ZINC000040586992 213355798 /nfs/dbraw/zinc/35/57/98/213355798.db2.gz HUSVFGJPSUIIFW-UHFFFAOYSA-N 0 0 341.415 4.435 10 5 EIBERN CCN(c1ccccc1)c1ncnc(NCc2ccccc2)c1[N+](=O)[O-] ZINC000040573231 213352829 /nfs/dbraw/zinc/35/28/29/213352829.db2.gz ZZHLTMGYKURMBD-UHFFFAOYSA-N 0 0 349.394 4.155 10 5 EIBERN Cc1cc(C)cc(Oc2ncnc(NCCC(C)C)c2[N+](=O)[O-])c1 ZINC000040582830 213353317 /nfs/dbraw/zinc/35/33/17/213353317.db2.gz FNEMUUTVTFADOM-UHFFFAOYSA-N 0 0 330.388 4.252 10 5 EIBERN COc1ccc(Cl)cc1/C=C/C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000021028468 212202317 /nfs/dbraw/zinc/20/23/17/212202317.db2.gz NULQIZUUTPAMSK-RMKNXTFCSA-N 0 0 346.770 4.217 10 5 EIBERN O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccccc1NCc1ccccc1 ZINC000255187726 244045957 /nfs/dbraw/zinc/04/59/57/244045957.db2.gz GLOKDYRFNNFKJJ-UHFFFAOYSA-N 0 0 347.374 4.459 10 5 EIBERN O=[N+]([O-])c1ccc(-c2cc(-c3cccc(Br)c3)[nH]n2)o1 ZINC000048554353 564129401 /nfs/dbraw/zinc/12/94/01/564129401.db2.gz WCCQWSMXWMLYOB-UHFFFAOYSA-N 0 0 334.129 4.007 10 5 EIBERN C[C@H](Cc1ccccc1)OSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000048564391 564129457 /nfs/dbraw/zinc/12/94/57/564129457.db2.gz MQRCDWLEQBCZSV-LLVKDONJSA-N 0 0 334.353 4.158 10 5 EIBERN O=[N+]([O-])c1c(Nc2ccc(F)cc2F)ncnc1Oc1ccccc1 ZINC000040659737 213365775 /nfs/dbraw/zinc/36/57/75/213365775.db2.gz PVEPTUYFSNGVDW-UHFFFAOYSA-N 0 0 344.277 4.199 10 5 EIBERN O=[N+]([O-])c1c(Nc2ccccc2)ncnc1NC1CCCCCC1 ZINC000040647963 213363493 /nfs/dbraw/zinc/36/34/93/213363493.db2.gz TZCVWVVMOJPVDR-UHFFFAOYSA-N 0 0 327.388 4.263 10 5 EIBERN Cc1ccc(Nc2ncnc(Nc3ccccc3F)c2[N+](=O)[O-])cc1 ZINC000040627547 213360673 /nfs/dbraw/zinc/36/06/73/213360673.db2.gz OACKLYKMJVSOIL-UHFFFAOYSA-N 0 0 339.330 4.320 10 5 EIBERN Cc1ccc(Nc2ncnc(NC3CCCC3)c2[N+](=O)[O-])cc1C ZINC000040590265 213355076 /nfs/dbraw/zinc/35/50/76/213355076.db2.gz LASYYJNIDQIZSV-UHFFFAOYSA-N 0 0 327.388 4.100 10 5 EIBERN Cc1c(Cl)cccc1Nc1ncnc(NC2CCCC2)c1[N+](=O)[O-] ZINC000040588565 213354784 /nfs/dbraw/zinc/35/47/84/213354784.db2.gz BVVHOEBMXZWHQL-UHFFFAOYSA-N 0 0 347.806 4.445 10 5 EIBERN Cc1ccc(Nc2ncnc(NC(C)(C)C)c2[N+](=O)[O-])cc1Cl ZINC000040581515 213354253 /nfs/dbraw/zinc/35/42/53/213354253.db2.gz BBGSFKZHAXHKJM-UHFFFAOYSA-N 0 0 335.795 4.301 10 5 EIBERN Cc1cc(C)cc(Nc2ncnc(NC3CCCC3)c2[N+](=O)[O-])c1 ZINC000040583100 213354041 /nfs/dbraw/zinc/35/40/41/213354041.db2.gz FGROUSNFELJUKT-UHFFFAOYSA-N 0 0 327.388 4.100 10 5 EIBERN CC(C)Oc1ncnc(Nc2ccc(Cl)c(Cl)c2)c1[N+](=O)[O-] ZINC000040591562 213356815 /nfs/dbraw/zinc/35/68/15/213356815.db2.gz FDJQNKRVAXVQCH-UHFFFAOYSA-N 0 0 343.170 4.222 10 5 EIBERN CCCCOc1ccc(Nc2ncnc(NCCC)c2[N+](=O)[O-])cc1 ZINC000040596805 213356619 /nfs/dbraw/zinc/35/66/19/213356619.db2.gz QCOVCAAABFMVQW-UHFFFAOYSA-N 0 0 345.403 4.129 10 5 EIBERN Cc1cc(C)cc(Oc2ncnc(N3CCCCCC3)c2[N+](=O)[O-])c1 ZINC000040582546 213353617 /nfs/dbraw/zinc/35/36/17/213353617.db2.gz PDQGMYHQIQQSGJ-UHFFFAOYSA-N 0 0 342.399 4.174 10 5 EIBERN CC(C)(C)Nc1ncnc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000040581547 213353777 /nfs/dbraw/zinc/35/37/77/213353777.db2.gz ZIJCPHRDQSIHSU-UHFFFAOYSA-N 0 0 338.820 4.400 10 5 EIBERN CC(C)c1ccc(Nc2ncnc(NC(C)(C)C)c2[N+](=O)[O-])cc1 ZINC000040581527 213353324 /nfs/dbraw/zinc/35/33/24/213353324.db2.gz VPKOQCTWYRWILS-UHFFFAOYSA-N 0 0 329.404 4.462 10 5 EIBERN CCN(CC)c1ncnc(Oc2cccc3ccccc32)c1[N+](=O)[O-] ZINC000040583403 213353308 /nfs/dbraw/zinc/35/33/08/213353308.db2.gz MZYGGIQPWPFFGX-UHFFFAOYSA-N 0 0 338.367 4.177 10 5 EIBERN O=C(Nc1ccc(C(=O)c2ccccc2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000000493148 209633908 /nfs/dbraw/zinc/63/39/08/209633908.db2.gz CHEJXZDDXLHCQN-UHFFFAOYSA-N 0 0 346.342 4.078 10 5 EIBERN COc1ccc(NCc2cc(Br)cs2)c([N+](=O)[O-])c1 ZINC000037058479 213131300 /nfs/dbraw/zinc/13/13/00/213131300.db2.gz ZQXSWLVUMPIWOU-UHFFFAOYSA-N 0 0 343.202 4.040 10 5 EIBERN CCc1cc([N+](=O)[O-])cc(Br)c1N1CCCC[C@H]1C ZINC000226315293 242097627 /nfs/dbraw/zinc/09/76/27/242097627.db2.gz UNVFCVJPZJQKMV-SNVBAGLBSA-N 0 0 327.222 4.299 10 5 EIBERN C[C@@H]1C[C@H](C)CN(c2c(Cl)cc([N+](=O)[O-])cc2Br)C1 ZINC000226316648 242098509 /nfs/dbraw/zinc/09/85/09/242098509.db2.gz AVLXVPWEBRTLEK-DTORHVGOSA-N 0 0 347.640 4.493 10 5 EIBERN Nc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(Oc2ccccc2)c1 ZINC000255189978 244048105 /nfs/dbraw/zinc/04/81/05/244048105.db2.gz UDYJTVAJNGYHHO-UHFFFAOYSA-N 0 0 349.346 4.222 10 5 EIBERN O=C(NC1CCCCCC1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000019164130 212002475 /nfs/dbraw/zinc/00/24/75/212002475.db2.gz LXILSVXBEDZLBF-UHFFFAOYSA-N 0 0 328.368 4.307 10 5 EIBERN O=[N+]([O-])c1c(Nc2ccc(F)cc2)ncnc1Nc1ccccc1F ZINC000040627559 213361663 /nfs/dbraw/zinc/36/16/63/213361663.db2.gz JZYRTBXJTPOMRQ-UHFFFAOYSA-N 0 0 343.293 4.150 10 5 EIBERN CCc1ccccc1Nc1ncnc(Nc2ccccc2)c1[N+](=O)[O-] ZINC000040587074 213354877 /nfs/dbraw/zinc/35/48/77/213354877.db2.gz PKMVVCDOLMOBOB-UHFFFAOYSA-N 0 0 335.367 4.434 10 5 EIBERN CCOc1ncnc(N(CC)c2cccc3ccccc32)c1[N+](=O)[O-] ZINC000040589310 213355857 /nfs/dbraw/zinc/35/58/57/213355857.db2.gz GXXKKYSZIUNIPU-UHFFFAOYSA-N 0 0 338.367 4.095 10 5 EIBERN O=C(Nc1nccs1)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000000539659 209655194 /nfs/dbraw/zinc/65/51/94/209655194.db2.gz DCCWNSQBFVYZJN-UHFFFAOYSA-N 0 0 349.755 4.217 10 5 EIBERN CC(C)C[C@H](C)N(C)C(=O)c1cc(Cl)c(Cl)c([N+](=O)[O-])c1 ZINC000037984252 213183196 /nfs/dbraw/zinc/18/31/96/213183196.db2.gz GPLDEJBAGNGCED-VIFPVBQESA-N 0 0 333.215 4.408 10 5 EIBERN O=C(COc1ccccc1[N+](=O)[O-])c1cc(Cl)ccc1Cl ZINC000037974478 213179145 /nfs/dbraw/zinc/17/91/45/213179145.db2.gz UEPGLBCGBLVQHI-UHFFFAOYSA-N 0 0 326.135 4.163 10 5 EIBERN CC1=CC(C)(C)N(C(=O)c2cccc([N+](=O)[O-])c2)c2ccc(O)cc21 ZINC000072441654 216235424 /nfs/dbraw/zinc/23/54/24/216235424.db2.gz HSVATNKCOCDLCK-UHFFFAOYSA-N 0 0 338.363 4.143 10 5 EIBERN O=[N+]([O-])c1ccc(Cl)nc1Oc1ccc(Br)cc1 ZINC000038082272 213200254 /nfs/dbraw/zinc/20/02/54/213200254.db2.gz CSBLNYZTNQEODG-UHFFFAOYSA-N 0 0 329.537 4.198 10 5 EIBERN O=C(NC1CCCCC1)c1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000021142158 212211091 /nfs/dbraw/zinc/21/10/91/212211091.db2.gz IYRJGJQFQOQRQX-UHFFFAOYSA-N 0 0 340.379 4.450 10 5 EIBERN O=C(Cc1cnc2cc([N+](=O)[O-])ccc2n1)c1cccc2ccccc21 ZINC000048553987 564129407 /nfs/dbraw/zinc/12/94/07/564129407.db2.gz LGAAFVPMCCAZAJ-UHFFFAOYSA-N 0 0 343.342 4.117 10 5 EIBERN CCCOc1ccccc1/C=C/C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000040946930 213402029 /nfs/dbraw/zinc/40/20/29/213402029.db2.gz ZXQFZUJDJZCWAI-KPKJPENVSA-N 0 0 326.352 4.036 10 5 EIBERN Cc1cccc(Nc2ncnc(Nc3ccc(F)cc3)c2[N+](=O)[O-])c1 ZINC000040648477 213364349 /nfs/dbraw/zinc/36/43/49/213364349.db2.gz KISVPTDZWLLARU-UHFFFAOYSA-N 0 0 339.330 4.320 10 5 EIBERN CCCCCCOC(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000104425769 219386413 /nfs/dbraw/zinc/38/64/13/219386413.db2.gz PJMNHKIGCVVAHH-UHFFFAOYSA-N 0 0 330.178 4.094 10 5 EIBERN Cc1ccc(Nc2ncnc(Nc3ccccc3)c2[N+](=O)[O-])c(C)c1 ZINC000040621041 213359428 /nfs/dbraw/zinc/35/94/28/213359428.db2.gz ZERDCEITHBJWIP-UHFFFAOYSA-N 0 0 335.367 4.489 10 5 EIBERN Cc1ccc(Nc2ncnc(N3CCCCCC3)c2[N+](=O)[O-])cc1C ZINC000040589936 213354781 /nfs/dbraw/zinc/35/47/81/213354781.db2.gz KDGVSBAICLQDLY-UHFFFAOYSA-N 0 0 341.415 4.126 10 5 EIBERN Cc1ccc(Oc2ncnc(NCc3ccccc3)c2[N+](=O)[O-])cc1 ZINC000040599513 213358138 /nfs/dbraw/zinc/35/81/38/213358138.db2.gz RKOWSTBCHXBHEX-UHFFFAOYSA-N 0 0 336.351 4.098 10 5 EIBERN CC(C)Nc1ncnc(Nc2cc(Cl)ccc2Cl)c1[N+](=O)[O-] ZINC000040597490 213357236 /nfs/dbraw/zinc/35/72/36/213357236.db2.gz JIUAVICRVSQYAA-UHFFFAOYSA-N 0 0 342.186 4.256 10 5 EIBERN O=C1C[C@H](c2ccc([N+](=O)[O-])cc2)Nc2cc(Br)ccc21 ZINC000038208503 213206384 /nfs/dbraw/zinc/20/63/84/213206384.db2.gz MQEBXLMQNILUQN-CYBMUJFWSA-N 0 0 347.168 4.097 10 5 EIBERN CCCN(CC1CC1)C(=O)c1cc(Cl)c(Cl)c([N+](=O)[O-])c1 ZINC000037976407 213180199 /nfs/dbraw/zinc/18/01/99/213180199.db2.gz RCLDVXIGIXCHJU-UHFFFAOYSA-N 0 0 331.199 4.164 10 5 EIBERN C[C@H](Nc1ccc(O)cc1[N+](=O)[O-])c1sccc1Br ZINC000037320936 213140729 /nfs/dbraw/zinc/14/07/29/213140729.db2.gz AFGLQJVBLKNVMH-ZETCQYMHSA-N 0 0 343.202 4.298 10 5 EIBERN O=[N+]([O-])c1ccc(-c2ccnc(Nc3ccc(Cl)cc3)n2)cc1 ZINC000072443547 216236045 /nfs/dbraw/zinc/23/60/45/216236045.db2.gz QZVPQLNPCWHSHM-UHFFFAOYSA-N 0 0 326.743 4.449 10 5 EIBERN O=[N+]([O-])c1cccc(-c2ccnc3c(-c4ccc(F)cc4)cnn32)c1 ZINC000072451909 216240156 /nfs/dbraw/zinc/24/01/56/216240156.db2.gz YUTDDROOIBRHHH-UHFFFAOYSA-N 0 0 334.310 4.111 10 5 EIBERN O=[N+]([O-])c1cc(Br)ccc1OCCc1cccs1 ZINC000049586212 214021563 /nfs/dbraw/zinc/02/15/63/214021563.db2.gz ITEGJZSHDFTJQZ-UHFFFAOYSA-N 0 0 328.187 4.040 10 5 EIBERN Cc1ccc(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c(C(C)(C)C)c1 ZINC000005542196 210484484 /nfs/dbraw/zinc/48/44/84/210484484.db2.gz RWFYCTDDKVCGCC-UHFFFAOYSA-N 0 0 342.395 4.218 10 5 EIBERN O=c1[nH]c2ccccc2cc1-c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000167307978 226185925 /nfs/dbraw/zinc/18/59/25/226185925.db2.gz TVPFYXZHELRMQI-UHFFFAOYSA-N 0 0 335.146 4.410 10 5 EIBERN COc1ccccc1-c1cnc(Nc2cccc([N+](=O)[O-])c2)s1 ZINC000048554828 564129429 /nfs/dbraw/zinc/12/94/29/564129429.db2.gz SQSUDZSTBGGLDF-UHFFFAOYSA-N 0 0 327.365 4.471 10 5 EIBERN