smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(NC(=O)c2ccccc2)c([N+](=O)[O-])c1 ZINC000004603054 344860412 /nfs/dbraw/zinc/86/04/12/344860412.db2.gz WYTTZXAEWFANLE-UHFFFAOYSA-N 0 0 256.261 3.156 50 5 CGBARN O=[N+]([O-])c1ccc(/C=C/c2ccncn2)cc1Cl ZINC000126497944 346025011 /nfs/dbraw/zinc/02/50/11/346025011.db2.gz LXXSQDPSKXGDIW-HNQUOIGGSA-N 0 0 261.668 3.209 50 5 CGBARN C[C@H](Nc1cc(N)ccc1[N+](=O)[O-])[C@H]1COc2ccccc21 ZINC000193487862 138482726 /nfs/dbraw/zinc/48/27/26/138482726.db2.gz IVRQMSJLISFNCG-GXFFZTMASA-N 0 0 299.330 3.154 50 5 CGBARN Cc1ncsc1CN(C)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000179426724 189193816 /nfs/dbraw/zinc/19/38/16/189193816.db2.gz WZKRTPBWVCAMTG-UHFFFAOYSA-N 0 0 291.376 3.300 50 5 CGBARN O=C1C=C(c2ccccc2)O[C@@H](c2ccc([N+](=O)[O-])cc2)O1 ZINC000000198514 368314403 /nfs/dbraw/zinc/31/44/03/368314403.db2.gz CHBLUVKTBZQHOW-MRXNPFEDSA-N 0 0 297.266 3.208 50 5 CGBARN C[C@H](NC(=O)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000000103191 368290737 /nfs/dbraw/zinc/29/07/37/368290737.db2.gz TYMCJGBVKJRKCM-NSHDSACASA-N 0 0 270.288 3.086 50 5 CGBARN O=[N+]([O-])c1cc(C2CCCCC2)ccc1OC[C@H]1CO1 ZINC000000155485 368304912 /nfs/dbraw/zinc/30/49/12/368304912.db2.gz INZCNOKFEIDSKJ-CYBMUJFWSA-N 0 0 277.320 3.420 50 5 CGBARN Cc1c(NC(=O)c2ccccc2F)cccc1[N+](=O)[O-] ZINC000000442315 368367493 /nfs/dbraw/zinc/36/74/93/368367493.db2.gz DRCFYRXWCRDNSF-UHFFFAOYSA-N 0 0 274.251 3.295 50 5 CGBARN Cc1c(C(=O)Nc2cccc(F)c2)cccc1[N+](=O)[O-] ZINC000000255442 368325830 /nfs/dbraw/zinc/32/58/30/368325830.db2.gz AXFAJVKQCSYMEW-UHFFFAOYSA-N 0 0 274.251 3.295 50 5 CGBARN O=C(Nc1ccc(F)cc1)c1ccc(F)c([N+](=O)[O-])c1 ZINC000000258384 368326976 /nfs/dbraw/zinc/32/69/76/368326976.db2.gz IDGFPODVSKLKIS-UHFFFAOYSA-N 0 0 278.214 3.125 50 5 CGBARN Cc1c(Cl)cccc1NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000000272254 368329763 /nfs/dbraw/zinc/32/97/63/368329763.db2.gz MKQNCADNIDYRTQ-UHFFFAOYSA-N 0 0 280.667 3.402 50 5 CGBARN Cc1cc(C(=O)Nc2ccc(F)c(F)c2)ccc1[N+](=O)[O-] ZINC000000284829 368333529 /nfs/dbraw/zinc/33/35/29/368333529.db2.gz GLHLTSHFKQRRLY-UHFFFAOYSA-N 0 0 292.241 3.434 50 5 CGBARN CN(C(=O)Oc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000000463928 368372130 /nfs/dbraw/zinc/37/21/30/368372130.db2.gz RLUQUDOOTASCLR-UHFFFAOYSA-N 0 0 272.260 3.230 50 5 CGBARN CC(=O)c1cccc(NC(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000000435774 368365479 /nfs/dbraw/zinc/36/54/79/368365479.db2.gz DMOAHYRDMXWGGL-UHFFFAOYSA-N 0 0 284.271 3.050 50 5 CGBARN O=C(Nc1ccc(F)c([N+](=O)[O-])c1)NC1CCCCC1 ZINC000000474921 368375599 /nfs/dbraw/zinc/37/55/99/368375599.db2.gz KOOBTTCTRUTIKE-UHFFFAOYSA-N 0 0 281.287 3.188 50 5 CGBARN NC(=O)c1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000003411165 368506015 /nfs/dbraw/zinc/50/60/15/368506015.db2.gz JIUUTDPANFTRQJ-UHFFFAOYSA-N 0 0 292.678 3.139 50 5 CGBARN CCCCCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000004613928 368552997 /nfs/dbraw/zinc/55/29/97/368552997.db2.gz XOXPGMUCORHECU-UHFFFAOYSA-N 0 0 266.297 3.122 50 5 CGBARN O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccc(F)cc1F ZINC000005717263 368564055 /nfs/dbraw/zinc/56/40/55/368564055.db2.gz HUSMRMLPLLEACV-UHFFFAOYSA-N 0 0 292.241 3.054 50 5 CGBARN Cc1c(C(=O)N2c3ccccc3C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000009426451 368576477 /nfs/dbraw/zinc/57/64/77/368576477.db2.gz MYRVFNOWLQSJEQ-NSHDSACASA-N 0 0 296.326 3.495 50 5 CGBARN Cc1nn(CCOc2cccc(Cl)c2)c(C)c1[N+](=O)[O-] ZINC000012777300 368626868 /nfs/dbraw/zinc/62/68/68/368626868.db2.gz REAWDBOEVQDOQM-UHFFFAOYSA-N 0 0 295.726 3.141 50 5 CGBARN O=[N+]([O-])c1ccc(N(Cc2cccs2)C2CC2)nc1 ZINC000012909462 368633445 /nfs/dbraw/zinc/63/34/45/368633445.db2.gz VHKCRVKCVPLBLU-UHFFFAOYSA-N 0 0 275.333 3.220 50 5 CGBARN CN(C(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C1CCCC1 ZINC000014188527 368676118 /nfs/dbraw/zinc/67/61/18/368676118.db2.gz URLOVNUGWPHIKN-UHFFFAOYSA-N 0 0 282.727 3.263 50 5 CGBARN COC(=O)c1cc([N+](=O)[O-])ccc1N1CCc2ccccc21 ZINC000029233038 368893436 /nfs/dbraw/zinc/89/34/36/368893436.db2.gz PBOAQFPAOIJCGO-UHFFFAOYSA-N 0 0 298.298 3.076 50 5 CGBARN O=[N+]([O-])[C@@H]1CCCCCCCCCC[C@H]1[N+](=O)[O-] ZINC000045068425 369274486 /nfs/dbraw/zinc/27/44/86/369274486.db2.gz YNIYBFNGJQELGI-VXGBXAGGSA-N 0 0 258.318 3.192 50 5 CGBARN O=C(N[C@H]1CCCc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000005442872 284186882 /nfs/dbraw/zinc/18/68/82/284186882.db2.gz IRICJGWSFQWTSX-INIZCTEOSA-N 0 0 296.326 3.402 50 5 CGBARN O=C(NC1CCCCC1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000083794784 370009697 /nfs/dbraw/zinc/00/96/97/370009697.db2.gz AXBUNDIFMREYRB-UHFFFAOYSA-N 0 0 282.727 3.311 50 5 CGBARN COC(=O)c1cc(-c2cccc([N+](=O)[O-])c2)ccc1F ZINC000085210155 370016665 /nfs/dbraw/zinc/01/66/65/370016665.db2.gz NGXUIJAERLJZTN-UHFFFAOYSA-N 0 0 275.235 3.188 50 5 CGBARN CC[C@]1(C)CCCN(C(=O)Nc2ccncc2[N+](=O)[O-])C1 ZINC000097080986 370221830 /nfs/dbraw/zinc/22/18/30/370221830.db2.gz JHFGUUXZUCGRLE-CQSZACIVSA-N 0 0 292.339 3.034 50 5 CGBARN CN(c1nc2sccn2c1[N+](=O)[O-])C1CCCCCC1 ZINC000170626377 372645223 /nfs/dbraw/zinc/64/52/23/372645223.db2.gz VHUOQJAVDIOIKG-UHFFFAOYSA-N 0 0 294.380 3.463 50 5 CGBARN Cc1ccc(Br)c(OC(F)F)c1[N+](=O)[O-] ZINC000263623357 190070524 /nfs/dbraw/zinc/07/05/24/190070524.db2.gz GTTILAYAAJLFQC-UHFFFAOYSA-N 0 0 282.040 3.267 50 5 CGBARN O=[N+]([O-])c1cc(F)c(OC(F)F)cc1Br ZINC000263623183 190070612 /nfs/dbraw/zinc/07/06/12/190070612.db2.gz FKYKUAVNGOZKAG-UHFFFAOYSA-N 0 0 286.003 3.098 50 5 CGBARN CCc1nc([C@@H](C)Nc2ncc(C)cc2[N+](=O)[O-])cs1 ZINC000253428123 377693007 /nfs/dbraw/zinc/69/30/07/377693007.db2.gz HYFAIKDOVDXIQA-SECBINFHSA-N 0 0 292.364 3.490 50 5 CGBARN Cc1nc(C)c(C)c(Oc2ccc([N+](=O)[O-])cc2F)n1 ZINC000253429298 377693297 /nfs/dbraw/zinc/69/32/97/377693297.db2.gz QMVORDATFSAQOG-UHFFFAOYSA-N 0 0 277.255 3.241 50 5 CGBARN C[C@@H]1CCCCN1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000209583 169575740 /nfs/dbraw/zinc/57/57/40/169575740.db2.gz VZWSOLNGXWPCFO-SECBINFHSA-N 0 0 282.727 3.263 50 5 CGBARN CC1CCC(OC(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000000225593 169579856 /nfs/dbraw/zinc/57/98/56/169579856.db2.gz RFGCJYYPTFAWBC-UHFFFAOYSA-N 0 0 263.293 3.330 50 5 CGBARN Cc1ccnc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000000259015 169589607 /nfs/dbraw/zinc/58/96/07/169589607.db2.gz LFYXALLUODLTQG-UHFFFAOYSA-N 0 0 291.694 3.204 50 5 CGBARN O=Cc1cn(Cc2ccccc2[N+](=O)[O-])c2ccccc12 ZINC000000307659 285034531 /nfs/dbraw/zinc/03/45/31/285034531.db2.gz KGEHIKOXSFFTHC-UHFFFAOYSA-N 0 0 280.283 3.410 50 5 CGBARN O=[N+]([O-])C1=Cc2ccccc2O[C@H]1c1ccccc1 ZINC000000033965 285075215 /nfs/dbraw/zinc/07/52/15/285075215.db2.gz ULXCGRAUCRLSRG-HNNXBMFYSA-N 0 0 253.257 3.438 50 5 CGBARN O=[N+]([O-])c1cc(F)ccc1N1CC(Oc2ccccc2)C1 ZINC000065609400 285095129 /nfs/dbraw/zinc/09/51/29/285095129.db2.gz DCQXDOVHACIMCZ-UHFFFAOYSA-N 0 0 288.278 3.002 50 5 CGBARN O=c1cc(-c2ccccc2)c2nc3ccccc3nc2o1 ZINC000001410039 285216634 /nfs/dbraw/zinc/21/66/34/285216634.db2.gz CJOAAPNIVBVIOP-UHFFFAOYSA-N 0 0 274.279 3.403 50 5 CGBARN COc1ccccc1-c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000001686630 286488070 /nfs/dbraw/zinc/48/80/70/286488070.db2.gz QPACBGJIRNORGM-UHFFFAOYSA-N 0 0 274.232 3.179 50 5 CGBARN Cc1ccc(O)cc1Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000005218447 170077154 /nfs/dbraw/zinc/07/71/54/170077154.db2.gz ILSSXVOFARSZKP-UHFFFAOYSA-N 0 0 289.247 3.261 50 5 CGBARN Cc1ccc(Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(O)c1 ZINC000005362748 170089706 /nfs/dbraw/zinc/08/97/06/170089706.db2.gz PZDJBUZANYLQOM-UHFFFAOYSA-N 0 0 289.247 3.261 50 5 CGBARN O=C(NC1CCCCCC1)c1ccc([N+](=O)[O-])s1 ZINC000006786532 170243562 /nfs/dbraw/zinc/24/35/62/170243562.db2.gz USFWNORZSXKGFQ-UHFFFAOYSA-N 0 0 268.338 3.109 50 5 CGBARN COC[C@H](C)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000007763431 170301385 /nfs/dbraw/zinc/30/13/85/170301385.db2.gz ONPRKVKOMPPDKH-VIFPVBQESA-N 0 0 293.348 3.165 50 5 CGBARN O=C(NCC1(c2ccccc2)CC1)c1ccccc1[N+](=O)[O-] ZINC000008772654 170355379 /nfs/dbraw/zinc/35/53/79/170355379.db2.gz GZONBBFMPOPIRO-UHFFFAOYSA-N 0 0 296.326 3.056 50 5 CGBARN O=[N+]([O-])c1ccc(NCc2nc3ccccc3s2)nc1 ZINC000012755187 170508098 /nfs/dbraw/zinc/50/80/98/170508098.db2.gz PNXFPJXRHZSNTF-UHFFFAOYSA-N 0 0 286.316 3.212 50 5 CGBARN CCc1ccc(CN(C)C(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000018076833 170741719 /nfs/dbraw/zinc/74/17/19/170741719.db2.gz DOMIHWAPZWUPIE-UHFFFAOYSA-N 0 0 298.342 3.429 50 5 CGBARN O=[N+]([O-])c1c2cccnc2ccc1C1CCC(O)CC1 ZINC000038537552 174145644 /nfs/dbraw/zinc/14/56/44/174145644.db2.gz BNTXCDKSVPDJNE-UHFFFAOYSA-N 0 0 272.304 3.162 50 5 CGBARN O=Cc1cn(-c2ccc([N+](=O)[O-])cc2)c2ccccc12 ZINC000039216433 174165993 /nfs/dbraw/zinc/16/59/93/174165993.db2.gz WHHGIGBKDCWEQP-UHFFFAOYSA-N 0 0 266.256 3.351 50 5 CGBARN COCc1ccc(CNc2ccc([N+](=O)[O-])cc2)cc1 ZINC000040083224 174187617 /nfs/dbraw/zinc/18/76/17/174187617.db2.gz DFTYRXMWNRTIQH-UHFFFAOYSA-N 0 0 272.304 3.353 50 5 CGBARN O=[N+]([O-])c1ccc(-c2noc(COc3ccccc3)n2)cc1 ZINC000000459874 275034771 /nfs/dbraw/zinc/03/47/71/275034771.db2.gz ZNKZBSHETDBEAJ-UHFFFAOYSA-N 0 0 297.270 3.224 50 5 CGBARN C[C@H]1CCCN(c2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000042109351 278344297 /nfs/dbraw/zinc/34/42/97/278344297.db2.gz DEKFZVUQSXJZAS-NSHDSACASA-N 0 0 271.320 3.379 50 5 CGBARN O=[N+]([O-])c1c(N[C@@H]2CCc3ccccc32)nc2ccccn21 ZINC000058406533 280354487 /nfs/dbraw/zinc/35/44/87/280354487.db2.gz QBJMAOHDUDVZQU-CYBMUJFWSA-N 0 0 294.314 3.342 50 5 CGBARN O=[N+]([O-])c1ccc(S(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000000145477 280369558 /nfs/dbraw/zinc/36/95/58/280369558.db2.gz GAXWYRJTQKFLMW-UHFFFAOYSA-N 0 0 297.719 3.081 50 5 CGBARN Cc1ccccc1/C(=C1\OC(=O)c2ccccc21)[N+](=O)[O-] ZINC000001784655 326795475 /nfs/dbraw/zinc/79/54/75/326795475.db2.gz XMQQFVQARVCDCQ-CCEZHUSRSA-N 0 0 281.267 3.268 50 5 CGBARN O=C(/C=C\c1ccccc1[N+](=O)[O-])Oc1ccccc1 ZINC000033726401 624401468 /nfs/dbraw/zinc/40/14/68/624401468.db2.gz LFESLSUUKJWGKC-KHPPLWFESA-N 0 0 269.256 3.214 50 5 CGBARN Cc1ccc(NC(=O)C[C@H]2C=CCC2)cc1[N+](=O)[O-] ZINC000025868459 260130243 /nfs/dbraw/zinc/13/02/43/260130243.db2.gz LDBRINZSICWGTA-NSHDSACASA-N 0 0 260.293 3.198 50 5 CGBARN O=C(Nc1ccncc1F)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000096007546 185063656 /nfs/dbraw/zinc/06/36/56/185063656.db2.gz BOGLQDBMKNJPHN-UHFFFAOYSA-N 0 0 295.657 3.035 50 5 CGBARN Cc1nn(-c2ccc([N+](=O)[O-])cc2)c(C)c1Cl ZINC000036613073 282241294 /nfs/dbraw/zinc/24/12/94/282241294.db2.gz GQPOHVYGDAMRNZ-UHFFFAOYSA-N 0 0 251.673 3.051 50 5 CGBARN C[C@@H](c1nc(-c2ccccn2)no1)c1ccc([N+](=O)[O-])cc1 ZINC000000472229 344855088 /nfs/dbraw/zinc/85/50/88/344855088.db2.gz FSEIJKADQBGKJJ-SNVBAGLBSA-N 0 0 296.286 3.192 50 5 CGBARN O=[N+]([O-])c1cc2ccc1CCc1ccc(cc1[N+](=O)[O-])CC2 ZINC000004788125 344860341 /nfs/dbraw/zinc/86/03/41/344860341.db2.gz GALPQJGBTPDLLU-UHFFFAOYSA-N 0 0 298.298 3.387 50 5 CGBARN CC(=O)N1c2ccccc2CO[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000075283380 345499593 /nfs/dbraw/zinc/49/95/93/345499593.db2.gz XULJYXYCJCOAJI-MRXNPFEDSA-N 0 0 298.298 3.177 50 5 CGBARN O=[N+]([O-])c1ccc(-c2cc(-c3ccccc3O)[nH]n2)cc1 ZINC000585152463 346725976 /nfs/dbraw/zinc/72/59/76/346725976.db2.gz KLILKIRNDTVUOP-UHFFFAOYSA-N 0 0 281.271 3.358 50 5 CGBARN Nc1ccc([N+](=O)[O-])c(NCCCCC(F)(F)F)c1 ZINC000330032473 202590147 /nfs/dbraw/zinc/59/01/47/202590147.db2.gz NTEQACUISPFDIN-UHFFFAOYSA-N 0 0 277.246 3.322 50 5 CGBARN Cc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000000236284 368321932 /nfs/dbraw/zinc/32/19/32/368321932.db2.gz YDENJWGVACIEBL-UHFFFAOYSA-N 0 0 291.694 3.204 50 5 CGBARN CCc1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000000038620 368274543 /nfs/dbraw/zinc/27/45/43/368274543.db2.gz NCJIBEJPFSIQEA-UHFFFAOYSA-N 0 0 271.272 3.376 50 5 CGBARN O=[N+]([O-])c1ccc(-c2noc(CCc3ccccc3)n2)cc1 ZINC000000442879 368367982 /nfs/dbraw/zinc/36/79/82/368367982.db2.gz REFYGOONSFKSAX-UHFFFAOYSA-N 0 0 295.298 3.430 50 5 CGBARN COC(=O)c1sc2cc([N+](=O)[O-])ccc2c1Cl ZINC000000291604 368334314 /nfs/dbraw/zinc/33/43/14/368334314.db2.gz VFXPDLXMSOHMNK-UHFFFAOYSA-N 0 0 271.681 3.250 50 5 CGBARN O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccc(F)cc1F ZINC000000299290 368335804 /nfs/dbraw/zinc/33/58/04/368335804.db2.gz UXDNICZOKVUVJJ-UHFFFAOYSA-N 0 0 292.241 3.054 50 5 CGBARN COc1ccccc1C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000000361154 368348396 /nfs/dbraw/zinc/34/83/96/368348396.db2.gz OWZRAUSRJPRWBV-UHFFFAOYSA-N 0 0 286.287 3.164 50 5 CGBARN COc1ccc(C)cc1NC(=O)c1ccccc1[N+](=O)[O-] ZINC000000436042 368364789 /nfs/dbraw/zinc/36/47/89/368364789.db2.gz WXLVQZZDUMRLCQ-UHFFFAOYSA-N 0 0 286.287 3.164 50 5 CGBARN Cc1csc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)n1 ZINC000000433127 368364853 /nfs/dbraw/zinc/36/48/53/368364853.db2.gz IVTTXSDUEZRXDK-UHFFFAOYSA-N 0 0 297.723 3.265 50 5 CGBARN CCc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000000469078 368374483 /nfs/dbraw/zinc/37/44/83/368374483.db2.gz HCSINTIMIITTQC-UHFFFAOYSA-N 0 0 270.288 3.410 50 5 CGBARN Cc1cc([N+](=O)[O-])nn1Cc1cccc2ccccc21 ZINC000001426781 368413538 /nfs/dbraw/zinc/41/35/38/368413538.db2.gz CNCDOTFEGRPTNH-UHFFFAOYSA-N 0 0 267.288 3.301 50 5 CGBARN CCCCC[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000002100870 368446424 /nfs/dbraw/zinc/44/64/24/368446424.db2.gz WULMLPCVSICMKH-NSHDSACASA-N 0 0 264.325 3.293 50 5 CGBARN Cc1cc(C(=O)NCCCc2ccccc2)ccc1[N+](=O)[O-] ZINC000002736407 368473386 /nfs/dbraw/zinc/47/33/86/368473386.db2.gz FIJSXSHCVWHKNE-UHFFFAOYSA-N 0 0 298.342 3.266 50 5 CGBARN CC(=O)c1ccc(OCc2ccccc2)c([N+](=O)[O-])c1 ZINC000002579325 368466177 /nfs/dbraw/zinc/46/61/77/368466177.db2.gz OWKGFSOHSDMRJL-UHFFFAOYSA-N 0 0 271.272 3.376 50 5 in-vitro CGBARN O=C(Nc1ccccc1O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000002897596 368485275 /nfs/dbraw/zinc/48/52/75/368485275.db2.gz KDELFHDNNVLPET-UHFFFAOYSA-N 0 0 292.678 3.206 50 5 CGBARN Cc1ccc(Nc2ccc3nonc3c2[N+](=O)[O-])cc1C ZINC000003879031 368522526 /nfs/dbraw/zinc/52/25/26/368522526.db2.gz DLQVVKUATSKGHJ-UHFFFAOYSA-N 0 0 284.275 3.491 50 5 CGBARN O=[N+]([O-])c1cccc2ccc(N3CCCCC3)nc21 ZINC000004754596 368558330 /nfs/dbraw/zinc/55/83/30/368558330.db2.gz HKMZIKCSVMFQPC-UHFFFAOYSA-N 0 0 257.293 3.133 50 5 CGBARN O=C(CCc1cccs1)Nc1ccc([N+](=O)[O-])cc1 ZINC000004540148 368549699 /nfs/dbraw/zinc/54/96/99/368549699.db2.gz XILCIGBKWIGWFA-UHFFFAOYSA-N 0 0 276.317 3.228 50 5 CGBARN CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)c1ccoc1 ZINC000010903252 368587057 /nfs/dbraw/zinc/58/70/57/368587057.db2.gz BJARZZLOWCYJLK-UHFFFAOYSA-N 0 0 294.694 3.113 50 5 CGBARN C[C@@H](c1ccccc1)N(C)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000015543942 368697668 /nfs/dbraw/zinc/69/76/68/368697668.db2.gz UWYAGIDSAWLEED-JTQLQIEISA-N 0 0 290.344 3.490 50 5 CGBARN CC(C)c1csc(NC(=O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000014093443 368674432 /nfs/dbraw/zinc/67/44/32/368674432.db2.gz OJROLAHXTMXERR-UHFFFAOYSA-N 0 0 291.332 3.427 50 5 CGBARN O=[N+]([O-])c1ccc(CN2CCc3ccccc3C2)s1 ZINC000019537033 368757216 /nfs/dbraw/zinc/75/72/16/368757216.db2.gz QCTWJUIVLGYBAQ-UHFFFAOYSA-N 0 0 274.345 3.215 50 5 CGBARN Cc1cccc([C@@H](C)Nc2ccc([N+](=O)[O-])cn2)c1 ZINC000020032894 368794988 /nfs/dbraw/zinc/79/49/88/368794988.db2.gz GMQQKQSWIXABJH-LLVKDONJSA-N 0 0 257.293 3.471 50 5 CGBARN CCc1ccc(NC(=O)C2CCCC2)cc1[N+](=O)[O-] ZINC000027317968 368870499 /nfs/dbraw/zinc/87/04/99/368870499.db2.gz XXVWWEWYIDZMMK-UHFFFAOYSA-N 0 0 262.309 3.286 50 5 CGBARN Cc1ccc(Sc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])nc1 ZINC000037866368 369120518 /nfs/dbraw/zinc/12/05/18/369120518.db2.gz AKWKXFMCOJEAHL-UHFFFAOYSA-N 0 0 291.288 3.358 50 5 CGBARN O=[N+]([O-])c1ccnn1Cc1ccc(Cl)c2cccnc12 ZINC000048706002 369367466 /nfs/dbraw/zinc/36/74/66/369367466.db2.gz APGNZNAMPADKLO-UHFFFAOYSA-N 0 0 288.694 3.041 50 5 CGBARN Cc1nn(CCCc2ccccc2)c(C)c1[N+](=O)[O-] ZINC000058799910 369575183 /nfs/dbraw/zinc/57/51/83/369575183.db2.gz XPYBOSAOSQTFHK-UHFFFAOYSA-N 0 0 259.309 3.041 50 5 CGBARN COC(=O)c1cccc(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000074937827 369891798 /nfs/dbraw/zinc/89/17/98/369891798.db2.gz GKHTYTPKNDUBMT-UHFFFAOYSA-N 0 0 257.245 3.048 50 5 CGBARN COc1cc(NC(C)C)c([N+](=O)[O-])cc1Br ZINC000074937720 369891825 /nfs/dbraw/zinc/89/18/25/369891825.db2.gz QRYSUFDDFZNLLO-UHFFFAOYSA-N 0 0 289.129 3.186 50 5 CGBARN CCc1nccn1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000089757147 370046547 /nfs/dbraw/zinc/04/65/47/370046547.db2.gz JPDABVZVXFBLBT-UHFFFAOYSA-N 0 0 298.302 3.057 50 5 CGBARN CC(C)Cn1ccnc1CNc1cccc(F)c1[N+](=O)[O-] ZINC000095429646 370191612 /nfs/dbraw/zinc/19/16/12/370191612.db2.gz GRIQAHZYWSNSGF-UHFFFAOYSA-N 0 0 292.314 3.199 50 5 CGBARN Cc1noc(C=CNc2ccc(F)cc2F)c1[N+](=O)[O-] ZINC000100151913 370272638 /nfs/dbraw/zinc/27/26/38/370272638.db2.gz WVZZHZDFKZVJES-SNAWJCMRSA-N 0 0 281.218 3.252 50 5 CGBARN O=[N+]([O-])c1ccc(CSc2nnc(C3CC3)[nH]2)cc1F ZINC000170605568 372640992 /nfs/dbraw/zinc/64/09/92/372640992.db2.gz BSIOEIGZIBFXQS-UHFFFAOYSA-N 0 0 294.311 3.022 50 5 CGBARN CC(C)COc1ncc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000261493527 190039090 /nfs/dbraw/zinc/03/90/90/190039090.db2.gz CUVAGQJCYCDSSJ-UHFFFAOYSA-N 0 0 264.203 3.043 50 5 CGBARN Cc1ccc([N+](=O)[O-])c(Br)c1OC(F)F ZINC000263622776 190070063 /nfs/dbraw/zinc/07/00/63/190070063.db2.gz AVQOAAQXEAXVER-UHFFFAOYSA-N 0 0 282.040 3.267 50 5 CGBARN Cc1ccc(Br)c([N+](=O)[O-])c1OC(F)F ZINC000263624473 190071128 /nfs/dbraw/zinc/07/11/28/190071128.db2.gz QUZXDSQJLVANJY-UHFFFAOYSA-N 0 0 282.040 3.267 50 5 CGBARN O=C(/C=C/c1ccc([N+](=O)[O-])s1)Nc1ccc(F)cc1 ZINC000004078822 184530888 /nfs/dbraw/zinc/53/08/88/184530888.db2.gz JRFHMMGCNXEXNQ-FNORWQNLSA-N 0 0 292.291 3.447 50 5 CGBARN CC(C)(CCC(=O)c1ccc(Cl)cc1)[N+](=O)[O-] ZINC000005632634 184532528 /nfs/dbraw/zinc/53/25/28/184532528.db2.gz BMSZPAULIUOPBH-UHFFFAOYSA-N 0 0 255.701 3.358 50 5 CGBARN O=[N+]([O-])c1ccc(N2CCCC2)c(F)c1Br ZINC000005073461 285122226 /nfs/dbraw/zinc/12/22/26/285122226.db2.gz ODLITIUMOYSJHC-UHFFFAOYSA-N 0 0 289.104 3.097 50 5 CGBARN O=c1oc2c(cc(O)cc2-c2ccc([N+](=O)[O-])cc2)s1 ZINC000000533863 285228074 /nfs/dbraw/zinc/22/80/74/285228074.db2.gz NGGKZEUPYOGAHM-UHFFFAOYSA-N 0 0 289.268 3.135 50 5 CGBARN O=c1sc2ccccc2c(N2CCCCC2)c1[N+](=O)[O-] ZINC000005059523 285230202 /nfs/dbraw/zinc/23/02/02/285230202.db2.gz XJCRKMDGSSBBFP-UHFFFAOYSA-N 0 0 290.344 3.160 50 5 CGBARN CCc1cnc(COc2cc(Cl)ccc2[N+](=O)[O-])o1 ZINC000096428862 256757913 /nfs/dbraw/zinc/75/79/13/256757913.db2.gz WWMPXHQEGVBHBX-UHFFFAOYSA-N 0 0 282.683 3.378 50 5 CGBARN Cc1cc([N+](=O)[O-])c(Cl)cc1Br ZINC000002169128 391913256 /nfs/dbraw/zinc/91/32/56/391913256.db2.gz RTIUAGUGNIQCLV-UHFFFAOYSA-N 0 0 250.479 3.319 50 5 CGBARN CC(C)OCC[C@H]1CCCCN1c1ccc([N+](=O)[O-])cn1 ZINC000088736734 135056625 /nfs/dbraw/zinc/05/66/25/135056625.db2.gz USMJLNJXYPBWPY-CYBMUJFWSA-N 0 0 293.367 3.164 50 5 CGBARN O=[N+]([O-])c1cncc([N+](=O)[O-])c1Nc1ccc(Cl)cc1 ZINC000004409478 296521452 /nfs/dbraw/zinc/52/14/52/296521452.db2.gz AEHSBSZRWKDOJI-UHFFFAOYSA-N 0 0 294.654 3.295 50 5 CGBARN COc1ccc2oc3nc(=O)c4ccccc4c-3cc2c1 ZINC000001061806 286438226 /nfs/dbraw/zinc/43/82/26/286438226.db2.gz UZMMOBVRBHWZSX-UHFFFAOYSA-N 0 0 277.279 3.455 50 5 CGBARN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)OCc1ccccc1 ZINC000003237379 169870795 /nfs/dbraw/zinc/87/07/95/169870795.db2.gz BNENQSLQCVUFQE-DHZHZOJOSA-N 0 0 283.283 3.351 50 5 CGBARN CC1(c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000004006179 169928720 /nfs/dbraw/zinc/92/87/20/169928720.db2.gz FMIBRRGLOOUUTF-UHFFFAOYSA-N 0 0 256.099 3.409 50 5 CGBARN CC(=O)Nc1ccccc1-c1ccccc1[N+](=O)[O-] ZINC000004428614 169967584 /nfs/dbraw/zinc/96/75/84/169967584.db2.gz APAZIVOTUNMIEX-UHFFFAOYSA-N 0 0 256.261 3.220 50 5 CGBARN O=[N+]([O-])c1cnc(Nc2ccc3ccccc3c2)nc1 ZINC000005022605 170057258 /nfs/dbraw/zinc/05/72/58/170057258.db2.gz NZGSVFOSDLOGMC-UHFFFAOYSA-N 0 0 266.260 3.282 50 5 CGBARN Cc1cc(C(=O)OCc2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC000005059703 170062057 /nfs/dbraw/zinc/06/20/57/170062057.db2.gz KYHHQHCBKREPCT-UHFFFAOYSA-N 0 0 289.262 3.399 50 5 CGBARN COc1ccc(C)cc1COc1ccc(C)nc1[N+](=O)[O-] ZINC000005259838 170080969 /nfs/dbraw/zinc/08/09/69/170080969.db2.gz NVEHBZBNENQOSR-UHFFFAOYSA-N 0 0 288.303 3.194 50 5 CGBARN O=[N+]([O-])c1ccc(-c2csc(NC3CC3)n2)cc1 ZINC000007274380 170275681 /nfs/dbraw/zinc/27/56/81/170275681.db2.gz ZLEQQLZGPFMAEY-UHFFFAOYSA-N 0 0 261.306 3.293 50 5 CGBARN CNC(=O)c1ccc(SCCC(C)C)c([N+](=O)[O-])c1 ZINC000032999446 171767681 /nfs/dbraw/zinc/76/76/81/171767681.db2.gz BRVOSJSPGZLTAK-UHFFFAOYSA-N 0 0 282.365 3.093 50 5 CGBARN CCN(CC)c1ccc([N+](=O)[O-])cc1Br ZINC000038537513 174145603 /nfs/dbraw/zinc/14/56/03/174145603.db2.gz PCXIHLGUPLRWQI-UHFFFAOYSA-N 0 0 273.130 3.204 50 5 CGBARN CCCc1nnc(SCc2cccc([N+](=O)[O-])c2C)[nH]1 ZINC000040543252 174323447 /nfs/dbraw/zinc/32/34/47/174323447.db2.gz ZATPGBCYPMZYIJ-UHFFFAOYSA-N 0 0 292.364 3.266 50 5 CGBARN Cc1nc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2o1 ZINC000058244485 175613353 /nfs/dbraw/zinc/61/33/53/175613353.db2.gz RJNWXAQUQKUBAT-UHFFFAOYSA-N 0 0 297.270 3.297 50 5 CGBARN O=[N+]([O-])c1ccc(N[C@H](CCO)c2ccccc2)cc1 ZINC000072293903 176362954 /nfs/dbraw/zinc/36/29/54/176362954.db2.gz CTFZGGYMFADOQD-OAHLLOKOSA-N 0 0 272.304 3.130 50 5 CGBARN Cc1c(NC(=O)CC(C)(C)C)cccc1[N+](=O)[O-] ZINC000002843964 260010338 /nfs/dbraw/zinc/01/03/38/260010338.db2.gz PPVHWUVBCFXSOP-UHFFFAOYSA-N 0 0 250.298 3.278 50 5 CGBARN COc1nc2ccc([N+](=O)[O-])cc2c(-c2ccccc2)n1 ZINC000000450860 278086917 /nfs/dbraw/zinc/08/69/17/278086917.db2.gz UYKHOAMRBAMZHK-UHFFFAOYSA-N 0 0 281.271 3.214 50 5 CGBARN O=[N+]([O-])c1c(F)ccc(Br)c1Br ZINC000263624528 280353597 /nfs/dbraw/zinc/35/35/97/280353597.db2.gz RHSOYBAUCPLQKF-UHFFFAOYSA-N 0 0 298.893 3.259 50 5 CGBARN O=[N+]([O-])c1cc(Br)ccc1N1CCCCC1 ZINC000004522352 280355882 /nfs/dbraw/zinc/35/58/82/280355882.db2.gz MOAYDALUWCNSSG-UHFFFAOYSA-N 0 0 285.141 3.348 50 5 CGBARN O=[N+]([O-])c1ccc(Br)c(C(F)(F)F)c1 ZINC000000056812 280363062 /nfs/dbraw/zinc/36/30/62/280363062.db2.gz SXEQQBBOAMHOID-UHFFFAOYSA-N 0 0 270.004 3.376 50 5 CGBARN O=[N+]([O-])c1ccccc1-c1nc(-c2ccccc2)no1 ZINC000004344127 280374431 /nfs/dbraw/zinc/37/44/31/280374431.db2.gz NQGTYJDQRUFQJW-UHFFFAOYSA-N 0 0 267.244 3.312 50 5 CGBARN CC(C)SCCN(C#N)c1ccc(F)c([N+](=O)[O-])c1 ZINC000252502984 567059810 /nfs/dbraw/zinc/05/98/10/567059810.db2.gz UWJDPXGCTPLMCC-UHFFFAOYSA-N 0 0 283.328 3.163 50 5 CGBARN O=[N+]([O-])c1ccc(S(=O)(=O)/C=C\c2ccsc2)cc1 ZINC000096867710 618160977 /nfs/dbraw/zinc/16/09/77/618160977.db2.gz IQKWIWSTANYYPQ-VURMDHGXSA-N 0 0 295.341 3.101 50 5 CGBARN CC[C@]1(C)CCN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000079102112 640370943 /nfs/dbraw/zinc/37/09/43/640370943.db2.gz PRHYLBIKCRRTLV-KXPUMZMLSA-N 0 0 288.347 3.257 50 5 CGBARN O=[N+]([O-])c1ccc2nc(NCc3cccnc3)sc2c1 ZINC000095948557 185038901 /nfs/dbraw/zinc/03/89/01/185038901.db2.gz CZCJTQQGBXQMNQ-UHFFFAOYSA-N 0 0 286.316 3.212 50 5 CGBARN O=[N+]([O-])c1c(F)cccc1OCCC(F)(F)F ZINC000125456115 187185880 /nfs/dbraw/zinc/18/58/80/187185880.db2.gz NSOQXKORQLMWPY-UHFFFAOYSA-N 0 0 253.151 3.065 50 5 CGBARN O=[N+]([O-])c1cccc(-c2nnc(-c3ccccc3O)o2)c1 ZINC000002847777 344858050 /nfs/dbraw/zinc/85/80/50/344858050.db2.gz XFRLJSFCMDGDLA-UHFFFAOYSA-N 0 0 283.243 3.017 50 5 CGBARN Cc1ccnc(Sc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 ZINC000005799092 344863063 /nfs/dbraw/zinc/86/30/63/344863063.db2.gz WCJGTKBLTZAWTG-UHFFFAOYSA-N 0 0 291.288 3.358 50 5 CGBARN CC(C)N(C)C(=O)[C@H](C)SCc1ccc([N+](=O)[O-])cc1 ZINC000131370110 187560562 /nfs/dbraw/zinc/56/05/62/187560562.db2.gz XAVLOBQMZDDSDV-NSHDSACASA-N 0 0 296.392 3.083 50 5 CGBARN Cc1ccccc1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000000038485 368274008 /nfs/dbraw/zinc/27/40/08/368274008.db2.gz NPTGEEBUWFEACF-UHFFFAOYSA-N 0 0 256.261 3.156 50 5 CGBARN Cc1cccc(C(=O)OCc2ccc([N+](=O)[O-])cc2)c1 ZINC000000060308 368280540 /nfs/dbraw/zinc/28/05/40/368280540.db2.gz XFBYSKPJJRLUTL-UHFFFAOYSA-N 0 0 271.272 3.260 50 5 CGBARN O=C(Nc1ccc(F)c(Cl)c1)c1ccc([N+](=O)[O-])o1 ZINC000000066730 368282089 /nfs/dbraw/zinc/28/20/89/368282089.db2.gz HZAVINYXPIFHAS-UHFFFAOYSA-N 0 0 284.630 3.233 50 5 CGBARN CC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccn1 ZINC000000145462 368301529 /nfs/dbraw/zinc/30/15/29/368301529.db2.gz CRRVTNJSTAOLIW-UHFFFAOYSA-N 0 0 274.301 3.344 50 5 CGBARN CC[C@H](Cc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000000271392 368329471 /nfs/dbraw/zinc/32/94/71/368329471.db2.gz PJMHKAXZMPCQNC-OAHLLOKOSA-N 0 0 298.342 3.346 50 5 CGBARN COc1ccc(NCc2ccc([N+](=O)[O-])s2)c(OC)c1 ZINC000000279589 368332173 /nfs/dbraw/zinc/33/21/73/368332173.db2.gz BSQFSNSWBWQLBI-UHFFFAOYSA-N 0 0 294.332 3.286 50 5 CGBARN O=C(Nc1cccc2cccnc21)c1ccccc1[N+](=O)[O-] ZINC000000293715 368334840 /nfs/dbraw/zinc/33/48/40/368334840.db2.gz FDBABUXYHZAPFQ-UHFFFAOYSA-N 0 0 293.282 3.395 50 5 CGBARN CC[C@H](C)OC(=O)CSc1ccccc1[N+](=O)[O-] ZINC000000460679 368372096 /nfs/dbraw/zinc/37/20/96/368372096.db2.gz YKUWEINLKZCLDF-VIFPVBQESA-N 0 0 269.322 3.029 50 5 CGBARN COc1ccc([N+](=O)[O-])cc1CSc1ccccn1 ZINC000000469443 368374380 /nfs/dbraw/zinc/37/43/80/368374380.db2.gz KKMOGLYJJJOFAJ-UHFFFAOYSA-N 0 0 276.317 3.291 50 5 CGBARN CC(C)Cn1c(=O)c2ccccc2c2ccccc2c1=O ZINC000000470263 368374599 /nfs/dbraw/zinc/37/45/99/368374599.db2.gz OKDQSIDHIDNLLZ-UHFFFAOYSA-N 0 0 279.339 3.171 50 5 CGBARN C[C@H](C(=O)NCc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000000579944 368390208 /nfs/dbraw/zinc/39/02/08/368390208.db2.gz AGCQNDIKGISYDP-LBPRGKRZSA-N 0 0 284.315 3.015 50 5 CGBARN CCOC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000000620809 368393904 /nfs/dbraw/zinc/39/39/04/368393904.db2.gz PPFBOEAHRUYZIH-UHFFFAOYSA-N 0 0 261.233 3.032 50 5 CGBARN O=C(C[C@H](C[N+](=O)[O-])c1ccccc1)c1ccccc1 ZINC000001667269 368428313 /nfs/dbraw/zinc/42/83/13/368428313.db2.gz HSDQDDXGMUPFTK-OAHLLOKOSA-N 0 0 269.300 3.320 50 5 CGBARN O=C(/C=C/c1ccc([N+](=O)[O-])o1)Nc1ccc(Cl)cc1 ZINC000001848300 368440531 /nfs/dbraw/zinc/44/05/31/368440531.db2.gz MOSSMDUQGHISID-FNORWQNLSA-N 0 0 292.678 3.493 50 5 CGBARN Cc1nc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)sc1C ZINC000002729528 368473605 /nfs/dbraw/zinc/47/36/05/368473605.db2.gz PYYACXDODNCQKL-UHFFFAOYSA-N 0 0 291.332 3.229 50 5 CGBARN Cc1ccc(F)cc1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000012756393 368625848 /nfs/dbraw/zinc/62/58/48/368625848.db2.gz QYHUDTYCZOARRO-UHFFFAOYSA-N 0 0 288.278 3.224 50 5 CGBARN O=[N+]([O-])c1ccc(Sc2nc3ccccc3[nH]2)nc1 ZINC000013207476 368646284 /nfs/dbraw/zinc/64/62/84/368646284.db2.gz VNSVXIFNTLTYDL-UHFFFAOYSA-N 0 0 272.289 3.017 50 5 CGBARN C[C@@H]1C[C@H](C)CN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000013603406 368658505 /nfs/dbraw/zinc/65/85/05/368658505.db2.gz QCWPCSVUNDHRPB-AOOOYVTPSA-N 0 0 296.754 3.366 50 5 CGBARN C[C@H](Nc1ncccc1[N+](=O)[O-])c1ccc(F)cc1F ZINC000024107682 368829293 /nfs/dbraw/zinc/82/92/93/368829293.db2.gz YPANABFFHAAFGD-QMMMGPOBSA-N 0 0 279.246 3.441 50 5 CGBARN Cc1nc(-c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)no1 ZINC000024834174 368835963 /nfs/dbraw/zinc/83/59/63/368835963.db2.gz QOVPMQDFMSEOTR-UHFFFAOYSA-N 0 0 298.258 3.141 50 5 CGBARN Cc1cccc(C(=O)NC[C@H](C)c2ccccc2)c1[N+](=O)[O-] ZINC000026755575 368863408 /nfs/dbraw/zinc/86/34/08/368863408.db2.gz DHKIWJGUYSVQLM-ZDUSSCGKSA-N 0 0 298.342 3.437 50 5 CGBARN CC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1C)C(C)C ZINC000048264877 369339638 /nfs/dbraw/zinc/33/96/38/369339638.db2.gz XLJCWVXFJBFDHZ-GFCCVEGCSA-N 0 0 264.325 3.068 50 5 CGBARN COc1cccc([C@H]2CCCN2c2ccc([N+](=O)[O-])cn2)c1 ZINC000054886581 369507932 /nfs/dbraw/zinc/50/79/32/369507932.db2.gz DUGUFKGDHADWBV-OAHLLOKOSA-N 0 0 299.330 3.340 50 5 CGBARN C[C@H](OC(=O)c1ccc([N+](=O)[O-])o1)c1cc(F)ccc1F ZINC000056271586 369524044 /nfs/dbraw/zinc/52/40/44/369524044.db2.gz SACYFIVZPYVJGW-ZETCQYMHSA-N 0 0 297.213 3.384 50 5 CGBARN Nc1c(Br)c(Cl)c(Cl)cc1[N+](=O)[O-] ZINC000082200841 370001567 /nfs/dbraw/zinc/00/15/67/370001567.db2.gz PMLIETDTBZGKBM-UHFFFAOYSA-N 0 0 285.912 3.246 50 5 CGBARN CCOc1cc(Sc2nnc(C)s2)ccc1[N+](=O)[O-] ZINC000092582392 370098064 /nfs/dbraw/zinc/09/80/64/370098064.db2.gz WHKVHFGBRFPEEW-UHFFFAOYSA-N 0 0 297.361 3.305 50 5 CGBARN O=[N+]([O-])c1ccc(OCC(F)F)c(C(F)(F)F)c1 ZINC000098095619 370264205 /nfs/dbraw/zinc/26/42/05/370264205.db2.gz ZSKDNQUXLXNOCD-UHFFFAOYSA-N 0 0 271.141 3.258 50 5 CGBARN Cc1cc([N+](=O)[O-])cnc1N[C@@H](C)c1cccc(O)c1 ZINC000174718976 373359781 /nfs/dbraw/zinc/35/97/81/373359781.db2.gz QABHMTCNKBDHJT-JTQLQIEISA-N 0 0 273.292 3.177 50 5 CGBARN C[C@H](Nc1ncc([N+](=O)[O-])s1)[C@@H]1COc2ccccc21 ZINC000192510471 375759105 /nfs/dbraw/zinc/75/91/05/375759105.db2.gz FIVMJVMRTJETKU-WPRPVWTQSA-N 0 0 291.332 3.028 50 5 CGBARN COc1ccc(Nc2ccc([N+](=O)[O-])c(Cl)n2)cc1 ZINC000220972528 376210702 /nfs/dbraw/zinc/21/07/02/376210702.db2.gz SSYLLEJOJMPNBG-UHFFFAOYSA-N 0 0 279.683 3.395 50 5 CGBARN Cc1cc(Br)c([N+](=O)[O-])cc1OC(F)F ZINC000263622948 190070668 /nfs/dbraw/zinc/07/06/68/190070668.db2.gz CJDUUJJMWSBOHQ-UHFFFAOYSA-N 0 0 282.040 3.267 50 5 CGBARN O=Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000000258485 285031142 /nfs/dbraw/zinc/03/11/42/285031142.db2.gz LUGZASQDCAESCW-UHFFFAOYSA-N 0 0 296.076 3.430 50 5 CGBARN O=[N+]([O-])c1cccc(-c2noc(-c3cccc(F)c3)n2)c1 ZINC000000467616 285152690 /nfs/dbraw/zinc/15/26/90/285152690.db2.gz NUQJWVUKSZTPSZ-UHFFFAOYSA-N 0 0 285.234 3.451 50 5 CGBARN Cc1c(C(=O)OCc2ccccc2F)cccc1[N+](=O)[O-] ZINC000001075498 169689569 /nfs/dbraw/zinc/68/95/69/169689569.db2.gz IPSGJEHDJUWSGF-UHFFFAOYSA-N 0 0 289.262 3.399 50 5 CGBARN Cc1cc(C)nc(Nc2cc([N+](=O)[O-])ccc2C)n1 ZINC000000150105 391907183 /nfs/dbraw/zinc/90/71/83/391907183.db2.gz PUQVHMYUVBUJGI-UHFFFAOYSA-N 0 0 258.281 3.054 50 5 CGBARN Cc1csc(NC(=O)Nc2ccccc2[N+](=O)[O-])n1 ZINC000005013861 391922287 /nfs/dbraw/zinc/92/22/87/391922287.db2.gz LQYSRVCLRUOTQB-UHFFFAOYSA-N 0 0 278.293 3.004 50 5 CGBARN O=C1Nc2ccccc2/C1=C\c1ccc([N+](=O)[O-])cc1 ZINC000012339650 391930302 /nfs/dbraw/zinc/93/03/02/391930302.db2.gz WPZSQSSOBHCYOZ-UKTHLTGXSA-N 0 0 266.256 3.088 50 5 CGBARN O=[N+]([O-])c1ccc(Br)cc1OCC(F)F ZINC000169800494 392610649 /nfs/dbraw/zinc/61/06/49/392610649.db2.gz WUOZBGNBCZUREB-UHFFFAOYSA-N 0 0 282.040 3.001 50 5 CGBARN O=C(Nc1cc([N+](=O)[O-])ccc1F)Oc1ccccc1F ZINC000001753519 169755187 /nfs/dbraw/zinc/75/51/87/169755187.db2.gz NOTLKGNENQBRCC-UHFFFAOYSA-N 0 0 294.213 3.484 50 5 CGBARN COc1ccc(COc2cccc([N+](=O)[O-])c2)cc1 ZINC000003051757 169851012 /nfs/dbraw/zinc/85/10/12/169851012.db2.gz DKJCBEQXXUXLBQ-UHFFFAOYSA-N 0 0 259.261 3.182 50 5 CGBARN CCOc1cc(Br)c([N+](=O)[O-])cc1OCC ZINC000003886790 169920259 /nfs/dbraw/zinc/92/02/59/169920259.db2.gz RLCUSTMNIBFKBZ-UHFFFAOYSA-N 0 0 290.113 3.155 50 5 CGBARN CCc1ccc(/C=C/C(=O)Nc2ccc([N+](=O)[O-])cc2)o1 ZINC000005032640 170058830 /nfs/dbraw/zinc/05/88/30/170058830.db2.gz VUCVKCYCJHUNTH-MDZDMXLPSA-N 0 0 286.287 3.402 50 5 CGBARN Cc1c(C(=O)N(C)C2CCCCC2)cccc1[N+](=O)[O-] ZINC000005536969 170110328 /nfs/dbraw/zinc/11/03/28/170110328.db2.gz XQLRYJJHIRCWSU-UHFFFAOYSA-N 0 0 276.336 3.308 50 5 CGBARN Cc1ccc(C)c(NC(=O)Cc2ccccc2[N+](=O)[O-])c1 ZINC000005682062 170128005 /nfs/dbraw/zinc/12/80/05/170128005.db2.gz SSUNTGCIGURFFK-UHFFFAOYSA-N 0 0 284.315 3.393 50 5 CGBARN O=C(N[C@H]1C[C@@H]2CC[C@H]1C2)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000006925715 170255873 /nfs/dbraw/zinc/25/58/73/170255873.db2.gz DKYTXMDJYMJAGI-PTRXPTGYSA-N 0 0 294.738 3.167 50 5 CGBARN Cc1noc(C(C)C)c1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000007915965 170307779 /nfs/dbraw/zinc/30/77/79/170307779.db2.gz ALUHRZJVFWPOPB-UHFFFAOYSA-N 0 0 289.291 3.267 50 5 CGBARN NC(=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000007980663 170311260 /nfs/dbraw/zinc/31/12/60/170311260.db2.gz UGHIYGNJTOZTQG-UHFFFAOYSA-N 0 0 292.678 3.139 50 5 CGBARN O=[N+]([O-])c1ccc(N(Cc2ccco2)Cc2ccco2)nc1 ZINC000013018778 170528837 /nfs/dbraw/zinc/52/88/37/170528837.db2.gz RCGQNDJXAFDJOF-UHFFFAOYSA-N 0 0 299.286 3.383 50 5 CGBARN O=C(Nc1cccc2ncccc21)c1ccc([N+](=O)[O-])s1 ZINC000015979937 170684536 /nfs/dbraw/zinc/68/45/36/170684536.db2.gz CGBQFNCFSWWIDT-UHFFFAOYSA-N 0 0 299.311 3.457 50 5 CGBARN Cc1ccc(C)c(OCCNc2ccc([N+](=O)[O-])cn2)c1 ZINC000019875065 170904809 /nfs/dbraw/zinc/90/48/09/170904809.db2.gz SXRVSKIRXYSMEP-UHFFFAOYSA-N 0 0 287.319 3.098 50 5 CGBARN CC(C)N(C(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-])C1CC1 ZINC000063926421 175689917 /nfs/dbraw/zinc/68/99/17/175689917.db2.gz UMUZTBCGHGUTEW-XBXARRHUSA-N 0 0 292.310 3.147 50 5 CGBARN O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCc3ccccc32)cc1[O-] ZINC000069591364 175841644 /nfs/dbraw/zinc/84/16/44/175841644.db2.gz GUZNYMYDQGYXCB-AWEZNQCLSA-N 0 0 284.315 3.078 50 5 CGBARN COc1ccc(Br)c([N+](=O)[O-])c1Cl ZINC000261493874 277399692 /nfs/dbraw/zinc/39/96/92/277399692.db2.gz LDSTWCNYIZGVLA-UHFFFAOYSA-N 0 0 266.478 3.019 50 5 CGBARN COc1cccc(-c2nc3ccc([N+](=O)[O-])cc3o2)c1 ZINC000001061337 278006280 /nfs/dbraw/zinc/00/62/80/278006280.db2.gz CUAMOYSFHBVWRB-UHFFFAOYSA-N 0 0 270.244 3.412 50 5 CGBARN Cc1c(-c2nc3ccccc3c(=O)o2)cccc1[N+](=O)[O-] ZINC000000203408 280196594 /nfs/dbraw/zinc/19/65/94/280196594.db2.gz FWJDZXOAIVSVDO-UHFFFAOYSA-N 0 0 282.255 3.072 50 5 CGBARN O=[N+]([O-])c1ccc(C2N=NC(=S)N2c2ccccc2)cc1 ZINC000000363173 280362441 /nfs/dbraw/zinc/36/24/41/280362441.db2.gz VOABNYQQUDETHE-UHFFFAOYSA-N 0 0 298.327 3.131 50 5 CGBARN Cc1cc(C(=O)Nc2ccc(Cl)cn2)ccc1[N+](=O)[O-] ZINC000000225373 280368218 /nfs/dbraw/zinc/36/82/18/280368218.db2.gz HARDPARLZXTOIR-UHFFFAOYSA-N 0 0 291.694 3.204 50 5 CGBARN O=[N+]([O-])c1cccc(F)c1OC(Cl)(Cl)Cl ZINC000095215551 280373077 /nfs/dbraw/zinc/37/30/77/280373077.db2.gz GWNMEUXUNMDTCV-UHFFFAOYSA-N 0 0 274.462 3.440 50 5 CGBARN Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000000063662 280910923 /nfs/dbraw/zinc/91/09/23/280910923.db2.gz HWKYGXKJOVLPDG-UHFFFAOYSA-N 0 0 270.288 3.464 50 5 CGBARN Cc1nc2cc([N+](=O)[O-])ccc2n1-c1ccccc1 ZINC000006072158 282054911 /nfs/dbraw/zinc/05/49/11/282054911.db2.gz MMLFSPCXFZSZIT-UHFFFAOYSA-N 0 0 253.261 3.242 50 5 CGBARN CCCN(CCC)c1cc(Cl)c2nonc2c1[N+](=O)[O-] ZINC000016309599 619445569 /nfs/dbraw/zinc/44/55/69/619445569.db2.gz DXEVXDNNKVAEOH-UHFFFAOYSA-N 0 0 298.730 3.411 50 5 CGBARN C[C@H](C(=O)Nc1ccccc1F)c1ccc([N+](=O)[O-])cc1 ZINC000000471323 230366134 /nfs/dbraw/zinc/36/61/34/230366134.db2.gz FJLBXQXVRHIZMM-JTQLQIEISA-N 0 0 288.278 3.476 50 5 CGBARN CC(C)CCCNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000095977803 185052358 /nfs/dbraw/zinc/05/23/58/185052358.db2.gz QIMOPOOSMYMTDS-UHFFFAOYSA-N 0 0 284.743 3.414 50 5 CGBARN O=C1Nc2ccc([N+](=O)[O-])cc2/C1=C\c1cccs1 ZINC000096991082 185146158 /nfs/dbraw/zinc/14/61/58/185146158.db2.gz UFEUBHVBIVQGFC-YRNVUSSQSA-N 0 0 272.285 3.149 50 5 CGBARN Cc1nn(C(=O)OC(C)(C)C)c2ccc([N+](=O)[O-])cc12 ZINC000089195682 282252358 /nfs/dbraw/zinc/25/23/58/282252358.db2.gz KNSRZMXJWFBSQA-UHFFFAOYSA-N 0 0 277.280 3.036 50 5 CGBARN CC(=O)Nc1ccc(NCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000000246076 368324776 /nfs/dbraw/zinc/32/47/76/368324776.db2.gz LATCYUKIEIGCCK-UHFFFAOYSA-N 0 0 285.303 3.165 50 5 CGBARN Cc1ccc(NCC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000000235969 368320701 /nfs/dbraw/zinc/32/07/01/368320701.db2.gz VLWGLZKRJULNKK-UHFFFAOYSA-N 0 0 270.288 3.198 50 5 CGBARN CCOC(=O)c1c(N)scc1-c1ccc([N+](=O)[O-])cc1 ZINC000000083551 368285496 /nfs/dbraw/zinc/28/54/96/368285496.db2.gz PZUSHWNNJRFJFD-UHFFFAOYSA-N 0 0 292.316 3.082 50 5 CGBARN Nc1ccccc1S[C@@H](C[N+](=O)[O-])c1ccccc1 ZINC000000100420 368289122 /nfs/dbraw/zinc/28/91/22/368289122.db2.gz DWNNEKXCXZHDQF-AWEZNQCLSA-N 0 0 274.345 3.379 50 5 CGBARN Cc1cccc(C(=O)Oc2cc(F)ccc2[N+](=O)[O-])c1 ZINC000000152898 368304140 /nfs/dbraw/zinc/30/41/40/368304140.db2.gz LETMLITVGLLXIH-UHFFFAOYSA-N 0 0 275.235 3.262 50 5 CGBARN Cc1ccccc1NC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000000171124 368308183 /nfs/dbraw/zinc/30/81/83/368308183.db2.gz RVIRFIYNSPUIGS-UHFFFAOYSA-N 0 0 285.303 3.225 50 5 CGBARN CC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1 ZINC000000255809 368325398 /nfs/dbraw/zinc/32/53/98/368325398.db2.gz LBOWMPWBQPKEKJ-UHFFFAOYSA-N 0 0 298.298 3.358 50 5 CGBARN COc1ccc(NCc2ccccc2[N+](=O)[O-])cc1OC ZINC000000279716 368331606 /nfs/dbraw/zinc/33/16/06/368331606.db2.gz CBZWVALEYKDIKA-UHFFFAOYSA-N 0 0 288.303 3.224 50 5 CGBARN O=[N+]([O-])c1cccc([C@@H]2CC(c3ccccc3)=NN2)c1 ZINC000000282259 368331641 /nfs/dbraw/zinc/33/16/41/368331641.db2.gz SBOLHAHQOAMFDO-HNNXBMFYSA-N 0 0 267.288 3.034 50 5 CGBARN CC(=O)c1ccc(OC(=O)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000000303431 368337078 /nfs/dbraw/zinc/33/70/78/368337078.db2.gz XWMUARHQIAEKIO-UHFFFAOYSA-N 0 0 299.282 3.325 50 5 CGBARN COc1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000000343848 368344046 /nfs/dbraw/zinc/34/40/46/368344046.db2.gz XGVAEAVGTOZSNS-UHFFFAOYSA-N 0 0 259.261 3.182 50 5 CGBARN O=C(Nc1ccccc1Cl)c1ccc([N+](=O)[O-])o1 ZINC000000375220 368351792 /nfs/dbraw/zinc/35/17/92/368351792.db2.gz DBSXHMSKBNARHR-UHFFFAOYSA-N 0 0 266.640 3.094 50 5 CGBARN C[C@H](C(=O)N(C)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000000472119 368374342 /nfs/dbraw/zinc/37/43/42/368374342.db2.gz SVIKBFCEEPDUCX-LBPRGKRZSA-N 0 0 284.315 3.361 50 5 CGBARN Cc1nc2ccccc2nc1OCc1ccc([N+](=O)[O-])cc1 ZINC000000531670 368383816 /nfs/dbraw/zinc/38/38/16/368383816.db2.gz OXUGSSBLZJJERS-UHFFFAOYSA-N 0 0 295.298 3.425 50 5 CGBARN O=C(c1ccc([N+](=O)[O-])cc1)N1CCC[C@H]2CCCC[C@H]21 ZINC000001020911 368400132 /nfs/dbraw/zinc/40/01/32/368400132.db2.gz UIFLHGMKOCKTAP-IUODEOHRSA-N 0 0 288.347 3.390 50 5 CGBARN CC(=O)O[C@H]1c2ccccc2-c2ccc([N+](=O)[O-])cc21 ZINC000001724494 368435813 /nfs/dbraw/zinc/43/58/13/368435813.db2.gz VHOLNJWMRGLXCC-HNNXBMFYSA-N 0 0 269.256 3.228 50 5 CGBARN O=[N+]([O-])c1cccnc1Sc1nc2ccccc2[nH]1 ZINC000001849710 368440704 /nfs/dbraw/zinc/44/07/04/368440704.db2.gz QUKUDQKLVDCAAY-UHFFFAOYSA-N 0 0 272.289 3.017 50 5 CGBARN CCOc1ccc(NC(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC000002621467 368469280 /nfs/dbraw/zinc/46/92/80/368469280.db2.gz VIFFSKDGKSFBGK-UHFFFAOYSA-N 0 0 292.316 3.307 50 5 CGBARN Cc1nn(Cc2cccc(C(F)(F)F)c2)c(C)c1[N+](=O)[O-] ZINC000002390472 368454940 /nfs/dbraw/zinc/45/49/40/368454940.db2.gz JXLGTRVRUGNUCZ-UHFFFAOYSA-N 0 0 299.252 3.475 50 5 CGBARN CC(C)(C)OC(=O)n1cc(C=O)c2cccc([N+](=O)[O-])c21 ZINC000002563723 368465150 /nfs/dbraw/zinc/46/51/50/368465150.db2.gz SWKYBDSQTIHFOL-UHFFFAOYSA-N 0 0 290.275 3.145 50 5 CGBARN C[C@@H](CNC(=O)c1cccs1)c1ccc([N+](=O)[O-])cc1 ZINC000002858497 368481881 /nfs/dbraw/zinc/48/18/81/368481881.db2.gz FIDBVIGZDMSOQJ-JTQLQIEISA-N 0 0 290.344 3.190 50 5 CGBARN O=[N+]([O-])c1ccc(SC2=COCCC2)c([N+](=O)[O-])c1 ZINC000003012593 368487841 /nfs/dbraw/zinc/48/78/41/368487841.db2.gz RKZJOYKFHFLCNZ-UHFFFAOYSA-N 0 0 282.277 3.247 50 5 CGBARN CCCCOC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000003959373 368524499 /nfs/dbraw/zinc/52/44/99/368524499.db2.gz GJQTUSZITBQKKP-UHFFFAOYSA-N 0 0 252.270 3.252 50 5 CGBARN O=C(c1ccc([N+](=O)[O-])s1)N1CCCc2ccccc21 ZINC000003446652 368507753 /nfs/dbraw/zinc/50/77/53/368507753.db2.gz CRNAMWRNIVCQDL-UHFFFAOYSA-N 0 0 288.328 3.249 50 5 CGBARN Cc1cccc(C(=O)N[C@H](C)CCC(C)C)c1[N+](=O)[O-] ZINC000003486892 368509423 /nfs/dbraw/zinc/50/94/23/368509423.db2.gz IAGOFDHXQHOVRV-GFCCVEGCSA-N 0 0 278.352 3.458 50 5 CGBARN CSc1ccc(C(=O)NCCC(C)C)cc1[N+](=O)[O-] ZINC000003553811 368513365 /nfs/dbraw/zinc/51/33/65/368513365.db2.gz XSHCNQLYVLDEPY-UHFFFAOYSA-N 0 0 282.365 3.093 50 5 CGBARN O=[N+]([O-])c1ccc(NCCc2ccccc2)c([N+](=O)[O-])c1 ZINC000003879128 368522021 /nfs/dbraw/zinc/52/20/21/368522021.db2.gz TZKDSBWDHZOIIN-UHFFFAOYSA-N 0 0 287.275 3.158 50 5 CGBARN CCN1c2ccccc2[S@@](=O)c2cc([N+](=O)[O-])ccc21 ZINC000004352935 368544917 /nfs/dbraw/zinc/54/49/17/368544917.db2.gz ITBLSYQCKBREGR-FQEVSTJZSA-N 0 0 288.328 3.233 50 5 CGBARN CN(Cc1ccccc1F)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000010278847 368578292 /nfs/dbraw/zinc/57/82/92/368578292.db2.gz NIHJGAGCJNJHGO-UHFFFAOYSA-N 0 0 294.307 3.068 50 5 CGBARN C[C@@H](c1ccccc1)N(C)C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000012552732 368619665 /nfs/dbraw/zinc/61/96/65/368619665.db2.gz VRJKVMXFZZHYLE-ZDUSSCGKSA-N 0 0 298.342 3.357 50 5 CGBARN Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC[C@@H](C)C1 ZINC000017007746 368725264 /nfs/dbraw/zinc/72/52/64/368725264.db2.gz IEZDVGLYVOGOKS-SNVBAGLBSA-N 0 0 277.324 3.167 50 5 CGBARN CCN(Cc1ccccc1)c1ccc([N+](=O)[O-])cn1 ZINC000019651529 368760704 /nfs/dbraw/zinc/76/07/04/368760704.db2.gz GJIFOTRVATVFOU-UHFFFAOYSA-N 0 0 257.293 3.016 50 5 CGBARN COc1ccccc1CCNc1ccc([N+](=O)[O-])cc1 ZINC000024153625 368829233 /nfs/dbraw/zinc/82/92/33/368829233.db2.gz DQMDYYDUPHDZCG-UHFFFAOYSA-N 0 0 272.304 3.258 50 5 CGBARN C/C=C/C=C/C(=O)Nc1ccc(CC)c([N+](=O)[O-])c1 ZINC000027310602 368870528 /nfs/dbraw/zinc/87/05/28/368870528.db2.gz RZQFWZZAMKVGHS-TWTPFVCWSA-N 0 0 260.293 3.228 50 5 CGBARN O=[N+]([O-])c1ccc2nc(NCc3ccncc3)sc2c1 ZINC000034936031 368980370 /nfs/dbraw/zinc/98/03/70/368980370.db2.gz HVPJRVFATLISNQ-UHFFFAOYSA-N 0 0 286.316 3.212 50 5 CGBARN CC(C)(C)c1nc(Sc2ccsc2[N+](=O)[O-])n[nH]1 ZINC000032911828 368952415 /nfs/dbraw/zinc/95/24/15/368952415.db2.gz GVPFRCALOGQQPF-UHFFFAOYSA-N 0 0 284.366 3.223 50 5 CGBARN Cc1csc(NC(=O)/C=C\c2ccccc2[N+](=O)[O-])n1 ZINC000033316487 368961649 /nfs/dbraw/zinc/96/16/49/368961649.db2.gz OBQYBIAWGXHYAZ-SREVYHEPSA-N 0 0 289.316 3.012 50 5 CGBARN COc1cc(NC[C@@H](C)c2nccs2)ccc1[N+](=O)[O-] ZINC000230611155 189810857 /nfs/dbraw/zinc/81/08/57/189810857.db2.gz IUXUAYJOWJQBDR-SECBINFHSA-N 0 0 293.348 3.276 50 5 CGBARN CC(C)Nc1cc(F)c(Br)cc1[N+](=O)[O-] ZINC000074937716 369891501 /nfs/dbraw/zinc/89/15/01/369891501.db2.gz BPXMIORTUXUUGS-UHFFFAOYSA-N 0 0 277.093 3.317 50 5 CGBARN CC(C)([NH2+]Cc1cc([O-])ccc1[N+](=O)[O-])c1ccccc1 ZINC000079046031 369960150 /nfs/dbraw/zinc/96/01/50/369960150.db2.gz OFFXXEQRRGIRHZ-UHFFFAOYSA-N 0 0 286.331 3.325 50 5 CGBARN O=[N+]([O-])c1ccc(OCc2nccs2)c(Cl)c1 ZINC000082046497 369998309 /nfs/dbraw/zinc/99/83/09/369998309.db2.gz JTWZCMTVRFLATM-UHFFFAOYSA-N 0 0 270.697 3.284 50 5 CGBARN O=[N+]([O-])c1ccc(N2CCCC[C@H]2c2ccco2)nc1 ZINC000095397843 370182690 /nfs/dbraw/zinc/18/26/90/370182690.db2.gz CTBOYEMYXJZDKZ-LBPRGKRZSA-N 0 0 273.292 3.314 50 5 CGBARN Cc1cccc2ncnc(NCc3ccc([N+](=O)[O-])cc3)c12 ZINC000170652370 372646950 /nfs/dbraw/zinc/64/69/50/372646950.db2.gz WGTVFVFKDHFRTI-UHFFFAOYSA-N 0 0 294.314 3.459 50 5 CGBARN CCOc1cc([N+](=O)[O-])cc(Cl)c1OC(C)C ZINC000261494327 190039687 /nfs/dbraw/zinc/03/96/87/190039687.db2.gz VASQLCIXIOWGIH-UHFFFAOYSA-N 0 0 259.689 3.434 50 5 CGBARN O=[N+]([O-])c1cc(Br)c(F)c(OC(F)F)c1 ZINC000263624495 190070910 /nfs/dbraw/zinc/07/09/10/190070910.db2.gz RAOAKRGEYVFONM-UHFFFAOYSA-N 0 0 286.003 3.098 50 5 CGBARN COc1ccc([C@@H]2Oc3ccccc3C[C@H]2[N+](=O)[O-])cc1 ZINC000252618427 377642512 /nfs/dbraw/zinc/64/25/12/377642512.db2.gz LGGXIMSJUQRDQF-ZBFHGGJFSA-N 0 0 285.299 3.017 50 5 CGBARN COc1ccc(CSc2ccccn2)cc1[N+](=O)[O-] ZINC000000062741 169522992 /nfs/dbraw/zinc/52/29/92/169522992.db2.gz ONPLSEUXJNRPBM-UHFFFAOYSA-N 0 0 276.317 3.291 50 5 CGBARN CCOc1ccccc1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000000103293 169537177 /nfs/dbraw/zinc/53/71/77/169537177.db2.gz BXBOJEDXEBZWNC-UHFFFAOYSA-N 0 0 286.287 3.246 50 5 CGBARN O=[N+]([O-])c1ccc(-c2csc(-c3cnccn3)n2)cc1 ZINC000000112745 169540389 /nfs/dbraw/zinc/54/03/89/169540389.db2.gz PFNIIQCRTBGMRE-UHFFFAOYSA-N 0 0 284.300 3.175 50 5 CGBARN CC(=O)c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000000132616 169548321 /nfs/dbraw/zinc/54/83/21/169548321.db2.gz GUBOWULDVFKCRF-UHFFFAOYSA-N 0 0 271.272 3.376 50 5 CGBARN Cc1ccc(C(=O)Nc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000000311561 169604965 /nfs/dbraw/zinc/60/49/65/169604965.db2.gz SGWLTJVSUHBTTG-UHFFFAOYSA-N 0 0 274.251 3.295 50 5 CGBARN O=[N+]([O-])c1c2nonc2c(Cl)cc1N1CCCCCC1 ZINC000003882522 285080522 /nfs/dbraw/zinc/08/05/22/285080522.db2.gz KCAQWGCPKOACRC-UHFFFAOYSA-N 0 0 296.714 3.165 50 5 CGBARN O=[N+]([O-])c1ccc(-c2cn3c(n2)Cc2ccccc2C3)cc1 ZINC000000337639 285104188 /nfs/dbraw/zinc/10/41/88/285104188.db2.gz DLEVFVJSSPMBPF-UHFFFAOYSA-N 0 0 291.310 3.411 50 5 CGBARN O=c1c2ccccc2oc2nc(-c3cccnc3)ccc21 ZINC000001395743 285213331 /nfs/dbraw/zinc/21/33/31/285213331.db2.gz HTPXKIMNZRQULG-UHFFFAOYSA-N 0 0 274.279 3.403 50 5 CGBARN O=[N+]([O-])c1cccc(C2N=NC(=S)N2c2ccccc2)c1 ZINC000000873856 169681704 /nfs/dbraw/zinc/68/17/04/169681704.db2.gz NFRSZRQLYCBCKE-UHFFFAOYSA-N 0 0 298.327 3.131 50 5 CGBARN Cc1cccc(C)c1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000000281957 391907475 /nfs/dbraw/zinc/90/74/75/391907475.db2.gz REVIHAXJENUXBF-UHFFFAOYSA-N 0 0 270.288 3.464 50 5 CGBARN CSC(C)(C)CNC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000096433733 392255180 /nfs/dbraw/zinc/25/51/80/392255180.db2.gz LLKBEMYADYBJLJ-UHFFFAOYSA-N 0 0 297.380 3.166 50 5 CGBARN O=[N+]([O-])c1cc(F)c(Sc2ncco2)c(F)c1 ZINC000390835654 392927975 /nfs/dbraw/zinc/92/79/75/392927975.db2.gz UEROFIMEQBSROU-UHFFFAOYSA-N 0 0 258.205 3.012 50 5 CGBARN O=[N+]([O-])c1cc(Cl)c(Br)cc1F ZINC000038777567 296498529 /nfs/dbraw/zinc/49/85/29/296498529.db2.gz DIPJMSNYGIUYII-UHFFFAOYSA-N 0 0 254.442 3.150 50 5 CGBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)Nc1cccc(O)c1 ZINC000001753392 169754757 /nfs/dbraw/zinc/75/47/57/169754757.db2.gz JFZHXIHYWFXJCY-UHFFFAOYSA-N 0 0 287.275 3.253 50 5 CGBARN Cc1cccnc1NC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000002795895 169831855 /nfs/dbraw/zinc/83/18/55/169831855.db2.gz AZQSVPILAAHFRR-UHFFFAOYSA-N 0 0 291.694 3.204 50 5 CGBARN Cc1c(C(=O)OCc2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000004846741 170029373 /nfs/dbraw/zinc/02/93/73/170029373.db2.gz VCGFKNMUVPBCRD-UHFFFAOYSA-N 0 0 289.262 3.399 50 5 CGBARN Cc1nn(Cc2nc3ccccc3s2)c(C)c1[N+](=O)[O-] ZINC000004943046 170043531 /nfs/dbraw/zinc/04/35/31/170043531.db2.gz JTPVKSMVKRNFND-UHFFFAOYSA-N 0 0 288.332 3.066 50 5 CGBARN O=C(NCc1ccccc1F)Nc1ccc([N+](=O)[O-])cc1 ZINC000005041254 170059806 /nfs/dbraw/zinc/05/98/06/170059806.db2.gz VKDOXMXUYSOCMZ-UHFFFAOYSA-N 0 0 289.266 3.056 50 5 CGBARN CNc1ccc([N+](=O)[O-])cc1-n1cnc(-c2ccccc2)c1 ZINC000005044801 170060271 /nfs/dbraw/zinc/06/02/71/170060271.db2.gz FJTAIJOTDFXEND-UHFFFAOYSA-N 0 0 294.314 3.489 50 5 CGBARN CCOc1ccc(NC(=O)c2ccc(C)o2)c([N+](=O)[O-])c1 ZINC000005475288 170102847 /nfs/dbraw/zinc/10/28/47/170102847.db2.gz RRHFIHNNKBJRQE-UHFFFAOYSA-N 0 0 290.275 3.147 50 5 CGBARN Cc1ccc(F)c(NC(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000006308412 170189670 /nfs/dbraw/zinc/18/96/70/170189670.db2.gz LBGVGYWCXCSXMJ-UHFFFAOYSA-N 0 0 274.251 3.295 50 5 CGBARN CC(=O)c1cccc(NC(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC000006507544 170207963 /nfs/dbraw/zinc/20/79/63/170207963.db2.gz BKXRSVUVYVKKAN-UHFFFAOYSA-N 0 0 290.300 3.111 50 5 CGBARN COC[C@@H](C)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000007763433 170301274 /nfs/dbraw/zinc/30/12/74/170301274.db2.gz ONPRKVKOMPPDKH-SECBINFHSA-N 0 0 293.348 3.165 50 5 CGBARN O=C(c1ccc([N+](=O)[O-])cc1)N1CC[C@H]2CCCC[C@H]2C1 ZINC000008161107 170321715 /nfs/dbraw/zinc/32/17/15/170321715.db2.gz CDEUIZXPPIBTLT-OCCSQVGLSA-N 0 0 288.347 3.247 50 5 CGBARN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC1CCCC1 ZINC000022595004 171393749 /nfs/dbraw/zinc/39/37/49/171393749.db2.gz GAPHCKPJFQNGOW-SNVBAGLBSA-N 0 0 294.376 3.134 50 5 CGBARN CCc1cccc(Nc2ncc([N+](=O)[O-])c(NC3CC3)n2)c1 ZINC000071798363 176265626 /nfs/dbraw/zinc/26/56/26/176265626.db2.gz YRDJOVSWVOESFF-UHFFFAOYSA-N 0 0 299.334 3.265 50 5 CGBARN CCOc1ccc(C(=O)N(C)C(C)(C)CC)cc1[N+](=O)[O-] ZINC000071905533 176296474 /nfs/dbraw/zinc/29/64/74/176296474.db2.gz MCEMMPZHIAKWDK-UHFFFAOYSA-N 0 0 294.351 3.254 50 5 CGBARN COc1cccc(-c2ccc(F)cc2[N+](=O)[O-])c1OC ZINC000725264274 544113831 /nfs/dbraw/zinc/11/38/31/544113831.db2.gz VSIOAFNPJSBCCU-UHFFFAOYSA-N 0 0 277.251 3.418 50 5 CGBARN CN(c1ccccc1)c1ccc(C=O)cc1[N+](=O)[O-] ZINC000003886116 260013614 /nfs/dbraw/zinc/01/36/14/260013614.db2.gz ZFYDGHJACOWZDU-UHFFFAOYSA-N 0 0 256.261 3.175 50 5 CGBARN CC(C)(C)C(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000004828644 275509240 /nfs/dbraw/zinc/50/92/40/275509240.db2.gz IOGMTRJJIWRGJR-UHFFFAOYSA-N 0 0 256.689 3.233 50 5 CGBARN Cc1cc(C)cc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1 ZINC000005539054 280418659 /nfs/dbraw/zinc/41/86/59/280418659.db2.gz CANIGTVETAAYHX-UHFFFAOYSA-N 0 0 296.282 3.012 50 5 CGBARN Cc1ccc2[nH]c(-c3cccc([N+](=O)[O-])c3)nc2c1 ZINC000000297846 281149078 /nfs/dbraw/zinc/14/90/78/281149078.db2.gz PACRMTWAYUPJIE-UHFFFAOYSA-N 0 0 253.261 3.447 50 5 CGBARN CCc1ccc2nc3[nH]c(C)cc(C)c-3c(=O)c2c1 ZINC000008685840 281434223 /nfs/dbraw/zinc/43/42/23/281434223.db2.gz DBZHPHGFYDFVDQ-UHFFFAOYSA-N 0 0 252.317 3.256 50 5 CGBARN O=C(Nc1cnc2c(c1)CCCC2)c1cccc([N+](=O)[O-])c1 ZINC000096007849 185063988 /nfs/dbraw/zinc/06/39/88/185063988.db2.gz KKFGBCKPFOJEEY-UHFFFAOYSA-N 0 0 297.314 3.121 50 5 CGBARN COc1ccc(-c2cc3ccccc3c(=O)o2)cc1[N+](=O)[O-] ZINC000001016257 344855744 /nfs/dbraw/zinc/85/57/44/344855744.db2.gz VTXXZZCPGBKVDM-UHFFFAOYSA-N 0 0 297.266 3.377 50 5 CGBARN O=[N+]([O-])c1ccc(N[C@@H](CCO)c2cccs2)cc1 ZINC000072293844 345408992 /nfs/dbraw/zinc/40/89/92/345408992.db2.gz ZIQSIDNMXZDEJB-LBPRGKRZSA-N 0 0 278.333 3.192 50 5 CGBARN Cc1ccoc1C(=O)Nc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000084251167 345731913 /nfs/dbraw/zinc/73/19/13/345731913.db2.gz VYRPGBBXDUVXAF-UHFFFAOYSA-N 0 0 297.270 3.297 50 5 CGBARN Cc1cc([N+](=O)[O-])cnc1Sc1nnc(C2CC2)s1 ZINC000092663559 345851001 /nfs/dbraw/zinc/85/10/01/345851001.db2.gz DOAKCLBXNNPLSS-UHFFFAOYSA-N 0 0 294.361 3.178 50 5 CGBARN COc1ccc(Cn2ncc3cc([N+](=O)[O-])ccc32)cc1 ZINC000095629667 345899972 /nfs/dbraw/zinc/89/99/72/345899972.db2.gz CKJWDLCHHHACAN-UHFFFAOYSA-N 0 0 283.287 3.001 50 5 CGBARN CCN(C(=O)OC(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000204458996 346281996 /nfs/dbraw/zinc/28/19/96/346281996.db2.gz HFHRUVBSDNFGQQ-UHFFFAOYSA-N 0 0 266.297 3.356 50 5 CGBARN COC(=O)c1ccc(-c2ccc(OC)cc2)cc1[N+](=O)[O-] ZINC000097756979 185662471 /nfs/dbraw/zinc/66/24/71/185662471.db2.gz DFIFLMPMFNUTHX-UHFFFAOYSA-N 0 0 287.271 3.057 50 5 CGBARN Cc1csc([C@@H](C)CNc2ncc([N+](=O)[O-])cc2C)n1 ZINC000273305431 192106728 /nfs/dbraw/zinc/10/67/28/192106728.db2.gz MLVRHZBFWGJOFM-VIFPVBQESA-N 0 0 292.364 3.279 50 5 CGBARN COc1ccc(C2SCCS2)cc1[N+](=O)[O-] ZINC000000031489 368272768 /nfs/dbraw/zinc/27/27/68/368272768.db2.gz MZWIVIIHYBRSSA-UHFFFAOYSA-N 0 0 257.336 3.082 50 5 CGBARN Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1F ZINC000000038908 368273970 /nfs/dbraw/zinc/27/39/70/368273970.db2.gz BKHNVWKGUHDWLM-UHFFFAOYSA-N 0 0 274.251 3.295 50 5 CGBARN Cc1c(NC(=O)c2cccs2)cccc1[N+](=O)[O-] ZINC000000038379 368274848 /nfs/dbraw/zinc/27/48/48/368274848.db2.gz VIVARGUBTQXSHO-UHFFFAOYSA-N 0 0 262.290 3.217 50 5 CGBARN Cc1c(NC(=O)/C=C/c2ccco2)cccc1[N+](=O)[O-] ZINC000000070513 368281915 /nfs/dbraw/zinc/28/19/15/368281915.db2.gz CUTRXNCZBWGTHR-BQYQJAHWSA-N 0 0 272.260 3.148 50 5 CGBARN Cc1ccccc1NC(=O)c1ccccc1[N+](=O)[O-] ZINC000000121120 368294703 /nfs/dbraw/zinc/29/47/03/368294703.db2.gz MCHSGYYSXRCUMZ-UHFFFAOYSA-N 0 0 256.261 3.156 50 5 CGBARN COc1ccc(OC)c(Sc2ccc([N+](=O)[O-])cn2)c1 ZINC000000138848 368299705 /nfs/dbraw/zinc/29/97/05/368299705.db2.gz ODPUVQGDMZPTLJ-UHFFFAOYSA-N 0 0 292.316 3.158 50 5 CGBARN COC(=O)c1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000000167788 368307329 /nfs/dbraw/zinc/30/73/29/368307329.db2.gz VOPSYKKSSYANRA-UHFFFAOYSA-N 0 0 291.234 3.313 50 5 CGBARN O=C(Oc1ccc2c(c1)oc(=O)c1ccccc21)C1CC1 ZINC000000457679 368371328 /nfs/dbraw/zinc/37/13/28/368371328.db2.gz GGMJIUWMVNRFRQ-UHFFFAOYSA-N 0 0 280.279 3.262 50 5 CGBARN C[C@H]1C[C@H](C)CN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000000288652 368333497 /nfs/dbraw/zinc/33/34/97/368333497.db2.gz QCWPCSVUNDHRPB-UWVGGRQHSA-N 0 0 296.754 3.366 50 5 CGBARN Cc1ccc(CC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000000465102 368372589 /nfs/dbraw/zinc/37/25/89/368372589.db2.gz MSRRQFGXLDUORN-UHFFFAOYSA-N 0 0 270.288 3.084 50 5 CGBARN O=C(N[C@@H]1CCCc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000005442873 284041731 /nfs/dbraw/zinc/04/17/31/284041731.db2.gz IRICJGWSFQWTSX-MRXNPFEDSA-N 0 0 296.326 3.402 50 5 CGBARN CCCCC[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000002100868 368446197 /nfs/dbraw/zinc/44/61/97/368446197.db2.gz WULMLPCVSICMKH-LLVKDONJSA-N 0 0 264.325 3.293 50 5 CGBARN CC(C)N(C(=O)Nc1cccc([N+](=O)[O-])c1)C(C)C ZINC000002165947 368448528 /nfs/dbraw/zinc/44/85/28/368448528.db2.gz NVARJHWMGNNJQM-UHFFFAOYSA-N 0 0 265.313 3.246 50 5 CGBARN O=C1OCC(c2ccc(F)cc2)=C1c1ccc([N+](=O)[O-])cc1 ZINC000003291922 368500904 /nfs/dbraw/zinc/50/09/04/368500904.db2.gz SIINIMQNFITAMQ-UHFFFAOYSA-N 0 0 299.257 3.202 50 5 CGBARN O=[N+]([O-])c1cccc(C(=S)NCCc2ccccc2)c1 ZINC000003338760 368502852 /nfs/dbraw/zinc/50/28/52/368502852.db2.gz OWKPXMPDCRYZSU-UHFFFAOYSA-N 0 0 286.356 3.103 50 5 CGBARN O=C(/C=C/c1cccc([N+](=O)[O-])c1)NC1CCCCCC1 ZINC000003070618 368489826 /nfs/dbraw/zinc/48/98/26/368489826.db2.gz VLHBYLJHMVGTMJ-ZHACJKMWSA-N 0 0 288.347 3.447 50 5 CGBARN Nc1cc(Sc2ccccc2[N+](=O)[O-])ccc1[N+](=O)[O-] ZINC000004406384 368545567 /nfs/dbraw/zinc/54/55/67/368545567.db2.gz QFBIEHHBDYCDJF-UHFFFAOYSA-N 0 0 291.288 3.236 50 5 CGBARN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)c1cccs1 ZINC000010278889 368579894 /nfs/dbraw/zinc/57/98/94/368579894.db2.gz UKAGJUVTNFKCHR-SECBINFHSA-N 0 0 276.317 3.147 50 5 CGBARN CN=[S@@](=O)(Oc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000013763605 368667225 /nfs/dbraw/zinc/66/72/25/368667225.db2.gz ZNNXLCYPPCJEQL-FQEVSTJZSA-N 0 0 292.316 3.046 50 5 CGBARN C[C@H](CNC(=O)c1ccc([N+](=O)[O-])s1)c1ccccc1 ZINC000015744594 368700971 /nfs/dbraw/zinc/70/09/71/368700971.db2.gz ITLQGFWYHCXSAR-SNVBAGLBSA-N 0 0 290.344 3.190 50 5 CGBARN c1ccc2c(c1)nc(N1CCOCC1)c1ccccc21 ZINC000019205347 368745825 /nfs/dbraw/zinc/74/58/25/368745825.db2.gz SYUYWVFBFIUJND-UHFFFAOYSA-N 0 0 264.328 3.225 50 5 CGBARN CN(Cc1ccccc1[N+](=O)[O-])c1nc2ccccc2o1 ZINC000025495849 368847383 /nfs/dbraw/zinc/84/73/83/368847383.db2.gz CDFNWNNCAZTUPC-UHFFFAOYSA-N 0 0 283.287 3.372 50 5 CGBARN COc1ccc(OC(=O)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000043191277 369244624 /nfs/dbraw/zinc/24/46/24/369244624.db2.gz HOVWGIGLFVKHLX-UHFFFAOYSA-N 0 0 287.271 3.131 50 5 CGBARN Cc1noc(C)c1COc1cc([N+](=O)[O-])ccc1C ZINC000059125209 369577780 /nfs/dbraw/zinc/57/77/80/369577780.db2.gz SSXBLRSXHNTKJR-UHFFFAOYSA-N 0 0 262.265 3.087 50 5 CGBARN CCCNc1cc(OC)c(Br)cc1[N+](=O)[O-] ZINC000065336890 369667648 /nfs/dbraw/zinc/66/76/48/369667648.db2.gz YQYSDNLJABVUOY-UHFFFAOYSA-N 0 0 289.129 3.188 50 5 CGBARN CCC(CC)Nc1ncc([N+](=O)[O-])cc1Br ZINC000078995532 369958657 /nfs/dbraw/zinc/95/86/57/369958657.db2.gz MQUZPUSPSYFWTG-UHFFFAOYSA-N 0 0 288.145 3.353 50 5 CGBARN O=[N+]([O-])c1ccc(N2CCCC[C@@H]2c2nccs2)nc1 ZINC000089794286 370047142 /nfs/dbraw/zinc/04/71/42/370047142.db2.gz BMEYGIJRDGAMBF-LLVKDONJSA-N 0 0 290.348 3.178 50 5 CGBARN CCc1nc(CNc2ccc([N+](=O)[O-])c(OC)c2)cs1 ZINC000097104598 370225791 /nfs/dbraw/zinc/22/57/91/370225791.db2.gz LUHIFYNAECRMDW-UHFFFAOYSA-N 0 0 293.348 3.234 50 5 CGBARN Cc1nc(COc2ccc([N+](=O)[O-])cc2C)oc1C ZINC000095438575 370194368 /nfs/dbraw/zinc/19/43/68/370194368.db2.gz BVGJFXSLJCYNBV-UHFFFAOYSA-N 0 0 262.265 3.087 50 5 CGBARN COc1ccc([N+](=O)[O-])c(NCc2ccccc2)c1 ZINC000095494748 370199417 /nfs/dbraw/zinc/19/94/17/370199417.db2.gz UKAAVHGZDIRSEM-UHFFFAOYSA-N 0 0 258.277 3.216 50 5 CGBARN Cc1ccc(N(C)CCO)c2c(=O)c3ccccc3sc12 ZINC000101362954 370289229 /nfs/dbraw/zinc/28/92/29/370289229.db2.gz YSHCSSMDXXRATP-UHFFFAOYSA-N 0 0 299.395 3.152 50 5 CGBARN O=[N+]([O-])c1cc(F)ccc1OCc1ccc(F)cc1 ZINC000102599468 370306555 /nfs/dbraw/zinc/30/65/55/370306555.db2.gz JFVFGABZKMSNBD-UHFFFAOYSA-N 0 0 265.215 3.452 50 5 CGBARN O=C(Nc1ccc([N+](=O)[O-])cc1)Nc1ccc(Cl)cn1 ZINC000005073395 284316032 /nfs/dbraw/zinc/31/60/32/284316032.db2.gz KTPLJGAPGKYFLS-UHFFFAOYSA-N 0 0 292.682 3.287 50 5 CGBARN Cc1cc([C@@H](C)Nc2ncc([N+](=O)[O-])s2)c(C)o1 ZINC000189685315 375434988 /nfs/dbraw/zinc/43/49/88/375434988.db2.gz FEXJWYWLCWZRNX-SSDOTTSWSA-N 0 0 267.310 3.434 50 5 CGBARN Cc1cc(NCc2noc3ccccc23)ncc1[N+](=O)[O-] ZINC000225386935 376305719 /nfs/dbraw/zinc/30/57/19/376305719.db2.gz JBFBQEAGXRGIMY-UHFFFAOYSA-N 0 0 284.275 3.052 50 5 CGBARN Cc1cc(C(=O)N[C@H](C)c2ccccc2)ccc1[N+](=O)[O-] ZINC000000038995 169514021 /nfs/dbraw/zinc/51/40/21/169514021.db2.gz HSEDMEBEGXMMNU-GFCCVEGCSA-N 0 0 284.315 3.394 50 5 CGBARN Cc1cc(C)n([C@H](C[N+](=O)[O-])c2ccc(Cl)cc2)n1 ZINC000000075194 169527162 /nfs/dbraw/zinc/52/71/62/169527162.db2.gz ZEJWZGJVLLMJLE-CYBMUJFWSA-N 0 0 279.727 3.019 50 5 CGBARN CC(=O)c1ccc(C)cc1OC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000000265347 169591635 /nfs/dbraw/zinc/59/16/35/169591635.db2.gz WGSPNICVNCDYHU-UHFFFAOYSA-N 0 0 299.282 3.325 50 5 CGBARN Cc1c(C(=O)N[C@H]2CCCC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000002883234 391915276 /nfs/dbraw/zinc/91/52/76/391915276.db2.gz WCNVQOKKYWGOMY-GWCFXTLKSA-N 0 0 276.336 3.212 50 5 CGBARN Cc1ccc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c(C)c1 ZINC000000439643 292128743 /nfs/dbraw/zinc/12/87/43/292128743.db2.gz WBYQVLGVMLLTPJ-UHFFFAOYSA-N 0 0 296.282 3.012 50 5 CGBARN C[C@]1(c2ccc([N+](=O)[O-])cc2)NN=C(c2ccccc2)S1 ZINC000002915180 169844267 /nfs/dbraw/zinc/84/42/67/169844267.db2.gz DBHLSFHIRABFSN-HNNXBMFYSA-N 0 0 299.355 3.466 50 5 CGBARN Cc1ccc(C(=O)NCCSC(C)(C)C)cc1[N+](=O)[O-] ZINC000002984729 169847294 /nfs/dbraw/zinc/84/72/94/169847294.db2.gz KULYWHNSUOVYNB-UHFFFAOYSA-N 0 0 296.392 3.165 50 5 CGBARN COc1ccc(OCCOc2ccccc2[N+](=O)[O-])cc1 ZINC000002985744 169847411 /nfs/dbraw/zinc/84/74/11/169847411.db2.gz CTTJBNDIJKHAIG-UHFFFAOYSA-N 0 0 289.287 3.061 50 5 CGBARN Cc1ccc(/C=C/C(=O)Nc2ccc([N+](=O)[O-])cc2)o1 ZINC000004173252 169940659 /nfs/dbraw/zinc/94/06/59/169940659.db2.gz BKSJPILHDNOBQP-CMDGGOBGSA-N 0 0 272.260 3.148 50 5 CGBARN O=C(c1ccccc1)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000004701875 170002170 /nfs/dbraw/zinc/00/21/70/170002170.db2.gz GGILXIWGGIKHNP-UHFFFAOYSA-N 0 0 296.326 3.426 50 5 CGBARN O=C(CCC1CCCCC1)Nc1ncc([N+](=O)[O-])s1 ZINC000005009850 170054674 /nfs/dbraw/zinc/05/46/74/170054674.db2.gz GQIBDZBCHWKFAG-UHFFFAOYSA-N 0 0 283.353 3.350 50 5 CGBARN O=[N+]([O-])c1cccc(-c2csc(N3CCCC3)n2)c1 ZINC000005277546 170081868 /nfs/dbraw/zinc/08/18/68/170081868.db2.gz XUOJKJNDYRIQPS-UHFFFAOYSA-N 0 0 275.333 3.319 50 5 CGBARN CC1(C)Cc2cccc(Oc3ccc([N+](=O)[O-])nc3)c2O1 ZINC000005689495 170130061 /nfs/dbraw/zinc/13/00/61/170130061.db2.gz FCQPATSUTCCXOL-UHFFFAOYSA-N 0 0 286.287 3.496 50 5 CGBARN O=C(NC1CCCCCCC1)c1ccccc1[N+](=O)[O-] ZINC000005771672 170139188 /nfs/dbraw/zinc/13/91/88/170139188.db2.gz KZMKDRNYTPWONN-UHFFFAOYSA-N 0 0 276.336 3.438 50 5 CGBARN Cc1ccc2nc(COc3ccc([N+](=O)[O-])cc3)cn2c1 ZINC000008134307 170320628 /nfs/dbraw/zinc/32/06/28/170320628.db2.gz FPXQWPQGHFRWRO-UHFFFAOYSA-N 0 0 283.287 3.130 50 5 CGBARN CCOc1ccc(CNc2ccc([N+](=O)[O-])cn2)cc1 ZINC000018247519 170749265 /nfs/dbraw/zinc/74/92/65/170749265.db2.gz WDJBVOOWIKXOIG-UHFFFAOYSA-N 0 0 273.292 3.001 50 5 CGBARN CCCc1noc(-c2ccc(NCC)c([N+](=O)[O-])c2)n1 ZINC000020898009 171278611 /nfs/dbraw/zinc/27/86/11/171278611.db2.gz HBDLCGXXYSKTQH-UHFFFAOYSA-N 0 0 276.296 3.029 50 5 CGBARN O=c1[nH]c(C=Cc2ccccc2[N+](=O)[O-])nc2ccccc12 ZINC000033405924 171790381 /nfs/dbraw/zinc/79/03/81/171790381.db2.gz IMBSQJKMFOAGJH-KTKRTIGZSA-N 0 0 293.282 3.002 50 5 CGBARN C[C@H](Nc1ccc([N+](=O)[O-])cn1)c1ccc(F)cc1F ZINC000036781874 172700564 /nfs/dbraw/zinc/70/05/64/172700564.db2.gz UBVCLFVZUDDZKH-QMMMGPOBSA-N 0 0 279.246 3.441 50 5 CGBARN Cc1nn(C)c(N2CCC[C@H]2CC(C)(C)C)c1[N+](=O)[O-] ZINC000078727493 177377568 /nfs/dbraw/zinc/37/75/68/177377568.db2.gz AEVBXMVTJXSPGN-NSHDSACASA-N 0 0 280.372 3.042 50 5 CGBARN O=[N+]([O-])c1cccnc1N(Cc1cccc(O)c1)CC1CC1 ZINC000084374504 416495759 /nfs/dbraw/zinc/49/57/59/416495759.db2.gz QQHZCXZWWBJQOH-UHFFFAOYSA-N 0 0 299.330 3.112 50 5 CGBARN CCCCNc1cc(C(=O)OCC)c([N+](=O)[O-])cc1F ZINC000725261655 544113949 /nfs/dbraw/zinc/11/39/49/544113949.db2.gz ALNREAVQGSLMGL-UHFFFAOYSA-N 0 0 284.287 3.123 50 5 CGBARN C[C@@H]1C[C@@H]1c1ccc(Br)cc1[N+](=O)[O-] ZINC000020064303 288598811 /nfs/dbraw/zinc/59/88/11/288598811.db2.gz RUXYGSMSWHYDEH-MUWHJKNJSA-N 0 0 256.099 3.481 50 5 CGBARN O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CCCCCC1 ZINC000000465759 500678315 /nfs/dbraw/zinc/67/83/15/500678315.db2.gz STQXZZDJDBICBC-MDZDMXLPSA-N 0 0 274.320 3.011 50 5 CGBARN Cn1c2ccccc2nc1-c1cccc([N+](=O)[O-])c1 ZINC000048878327 527114300 /nfs/dbraw/zinc/11/43/00/527114300.db2.gz ZUSUIYNBLDOINK-UHFFFAOYSA-N 0 0 253.261 3.149 50 5 CGBARN O=C(Nc1ccc(F)c(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000000562746 230366561 /nfs/dbraw/zinc/36/65/61/230366561.db2.gz OXSLHCVONDVRAY-UHFFFAOYSA-N 0 0 278.214 3.125 50 5 CGBARN C[C@@H](OC(=O)/C=C/c1ccccc1[N+](=O)[O-])c1ccncc1 ZINC000071914290 345405396 /nfs/dbraw/zinc/40/53/96/345405396.db2.gz BHQVWYHUJGOTMT-NNNHXZLVSA-N 0 0 298.298 3.307 50 5 CGBARN C[C@H](OC(=O)/C=C/c1ccccc1[N+](=O)[O-])c1ccncc1 ZINC000071914289 345405837 /nfs/dbraw/zinc/40/58/37/345405837.db2.gz BHQVWYHUJGOTMT-SYTKJHMZSA-N 0 0 298.298 3.307 50 5 CGBARN O=[N+]([O-])c1cc(F)cc(F)c1OCc1ccccc1 ZINC000167803410 346189167 /nfs/dbraw/zinc/18/91/67/346189167.db2.gz ZKXASDRVMJNTBH-UHFFFAOYSA-N 0 0 265.215 3.452 50 5 CGBARN Cn1c2ccc([N+](=O)[O-])cc2c2nc3ccccc3nc21 ZINC000000208555 282599112 /nfs/dbraw/zinc/59/91/12/282599112.db2.gz FSOVYGKVEFRXPK-UHFFFAOYSA-N 0 0 278.271 3.183 50 5 CGBARN O=[N+]([O-])c1cccc(S(=O)(=O)/C=C/c2ccccc2)c1 ZINC000000235192 368320209 /nfs/dbraw/zinc/32/02/09/368320209.db2.gz SBYUAIXSSFMSED-MDZDMXLPSA-N 0 0 289.312 3.039 50 5 CGBARN O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccc(Cl)cc1 ZINC000000075311 368283259 /nfs/dbraw/zinc/28/32/59/368283259.db2.gz REDLORXULQJGAK-UHFFFAOYSA-N 0 0 290.706 3.429 50 5 CGBARN Cc1ccc(C)c(NC(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000000101893 368289467 /nfs/dbraw/zinc/28/94/67/368289467.db2.gz IGUIIBFKJFKXRE-UHFFFAOYSA-N 0 0 270.288 3.464 50 5 CGBARN CC1CCN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000000102878 368290922 /nfs/dbraw/zinc/29/09/22/368290922.db2.gz KJBHEBDGLZYWIU-UHFFFAOYSA-N 0 0 282.727 3.120 50 5 CGBARN Cc1cccc(NC(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000000121124 368294723 /nfs/dbraw/zinc/29/47/23/368294723.db2.gz AFLOVMUBGLBLHN-UHFFFAOYSA-N 0 0 256.261 3.156 50 5 CGBARN C[C@@H](CCc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000000453750 368370032 /nfs/dbraw/zinc/37/00/32/368370032.db2.gz UDDNRXADOCPSEH-ZDUSSCGKSA-N 0 0 298.342 3.346 50 5 CGBARN CC(=O)c1ccccc1OC(=O)c1cccc([N+](=O)[O-])c1 ZINC000000265314 368328027 /nfs/dbraw/zinc/32/80/27/368328027.db2.gz ZFYHTTFVFJMUKS-UHFFFAOYSA-N 0 0 285.255 3.017 50 5 CGBARN CCc1cccc(C)c1NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000000272165 368328996 /nfs/dbraw/zinc/32/89/96/368328996.db2.gz XNURJOOOKYBJEJ-UHFFFAOYSA-N 0 0 274.276 3.311 50 5 CGBARN CCOc1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000000272719 368331191 /nfs/dbraw/zinc/33/11/91/368331191.db2.gz AGOJZKAIGCCAEH-UHFFFAOYSA-N 0 0 286.287 3.246 50 5 CGBARN Cc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c1C ZINC000000296119 368334379 /nfs/dbraw/zinc/33/43/79/368334379.db2.gz LEHVMGBGCKQTAN-UHFFFAOYSA-N 0 0 270.288 3.464 50 5 CGBARN Cc1cc(O)c(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1C ZINC000000330823 368341603 /nfs/dbraw/zinc/34/16/03/368341603.db2.gz XQRKNGSNEAKMNJ-UHFFFAOYSA-N 0 0 286.287 3.170 50 5 CGBARN COc1ccc(OCc2cccc([N+](=O)[O-])c2)cc1 ZINC000000614346 368392175 /nfs/dbraw/zinc/39/21/75/368392175.db2.gz JQNMPYYKOKJEAD-UHFFFAOYSA-N 0 0 259.261 3.182 50 5 CGBARN Cc1nn(Cc2cccc(Cl)c2)c(C)c1[N+](=O)[O-] ZINC000000614316 368392474 /nfs/dbraw/zinc/39/24/74/368392474.db2.gz XFHSAPNUFNLGBE-UHFFFAOYSA-N 0 0 265.700 3.110 50 5 CGBARN CCOC(=O)c1ccc(-c2ccc(/C=C/[N+](=O)[O-])o2)cc1 ZINC000000794935 368394979 /nfs/dbraw/zinc/39/49/79/368394979.db2.gz RLDOUHHNXJLBGZ-MDZDMXLPSA-N 0 0 287.271 3.371 50 5 CGBARN O=[N+]([O-])c1ccc(/C=C/c2ccccc2O)c([N+](=O)[O-])c1 ZINC000002164810 368448466 /nfs/dbraw/zinc/44/84/66/368448466.db2.gz LIBPVNZICNFUQK-AATRIKPKSA-N 0 0 286.243 3.379 50 5 CGBARN CCCC[C@H]1C[C@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000004125221 368532737 /nfs/dbraw/zinc/53/27/37/368532737.db2.gz MXDIEQXRHCTJFQ-GXFFZTMASA-N 0 0 262.309 3.360 50 5 CGBARN O=C(NCc1ccccc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000003562289 368514278 /nfs/dbraw/zinc/51/42/78/368514278.db2.gz IHDKAALQXUEFCB-UHFFFAOYSA-N 0 0 290.706 3.178 50 5 CGBARN O=C(NCc1ccccc1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000004365084 368544910 /nfs/dbraw/zinc/54/49/10/368544910.db2.gz UDBOPRXAOOINGA-UHFFFAOYSA-N 0 0 295.298 3.006 50 5 CGBARN O=[N+]([O-])c1ccc(NCc2ccco2)c2ncccc12 ZINC000004537992 368549870 /nfs/dbraw/zinc/54/98/70/368549870.db2.gz OLCOTRDXGCOWGP-UHFFFAOYSA-N 0 0 269.260 3.348 50 5 CGBARN COc1ccccc1[C@@H](C)Nc1ccc([N+](=O)[O-])cn1 ZINC000012617857 368622906 /nfs/dbraw/zinc/62/29/06/368622906.db2.gz MPGGMNDETZJFDL-SNVBAGLBSA-N 0 0 273.292 3.172 50 5 CGBARN O=[N+]([O-])c1cccnc1NCCc1ccc(Cl)cc1 ZINC000020031396 368793701 /nfs/dbraw/zinc/79/37/01/368793701.db2.gz DDPNTMKTRQPTIR-UHFFFAOYSA-N 0 0 277.711 3.298 50 5 CGBARN CCCCCNc1cc(NC(C)=O)c([N+](=O)[O-])cc1F ZINC000032779066 368945915 /nfs/dbraw/zinc/94/59/15/368945915.db2.gz UDVWQMYREAHFPP-UHFFFAOYSA-N 0 0 283.303 3.294 50 5 CGBARN O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CCCCCC1 ZINC000032819999 368947049 /nfs/dbraw/zinc/94/70/49/368947049.db2.gz YPWPQEOTOGUCOR-UHFFFAOYSA-N 0 0 287.319 3.092 50 5 CGBARN O=C(Oc1ccc2oc3ccccc3c2c1)[C@H]1C[C@@H]1[N+](=O)[O-] ZINC000032932049 368954138 /nfs/dbraw/zinc/95/41/38/368954138.db2.gz UTHVAILYIKSVLA-STQMWFEESA-N 0 0 297.266 3.157 50 5 CGBARN CNC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000036047439 369007360 /nfs/dbraw/zinc/00/73/60/369007360.db2.gz UZPOATHCNGUSAZ-UHFFFAOYSA-N 0 0 288.328 3.106 50 5 CGBARN Cc1ccccc1[C@@H](C)Nc1ccc([N+](=O)[O-])cn1 ZINC000042316316 369213755 /nfs/dbraw/zinc/21/37/55/369213755.db2.gz JJFKVOZTYOEWCJ-LLVKDONJSA-N 0 0 257.293 3.471 50 5 CGBARN CCc1nccn1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000042419783 369221577 /nfs/dbraw/zinc/22/15/77/369221577.db2.gz JEKYAQOLDPKXIQ-UHFFFAOYSA-N 0 0 265.700 3.055 50 5 CGBARN COCCN(C)C(=O)c1cc2ccccc2c2cccnc12 ZINC000055931678 369523472 /nfs/dbraw/zinc/52/34/72/369523472.db2.gz OWKZJFBMEXJUHO-UHFFFAOYSA-N 0 0 294.354 3.106 50 5 CGBARN CCOP(=O)(Cc1ccccc1[N+](=O)[O-])OCC ZINC000085221505 370016755 /nfs/dbraw/zinc/01/67/55/370016755.db2.gz OHJRRWPFTXVJON-UHFFFAOYSA-N 0 0 273.225 3.361 50 5 CGBARN Cc1noc(C=CNc2cc(Cl)ccc2O)c1[N+](=O)[O-] ZINC000100151918 370272533 /nfs/dbraw/zinc/27/25/33/370272533.db2.gz OGOLEBQHVSGGMJ-SNAWJCMRSA-N 0 0 295.682 3.333 50 5 CGBARN O=[N+]([O-])c1ccc(Cl)c(OCc2cccnc2)c1 ZINC000134212516 371311500 /nfs/dbraw/zinc/31/15/00/371311500.db2.gz WUSSVLOZAGFGAS-UHFFFAOYSA-N 0 0 264.668 3.222 50 5 CGBARN O=[N+]([O-])c1ccccc1/C=C/CNc1cccc(CO)c1 ZINC000190997686 375561067 /nfs/dbraw/zinc/56/10/67/375561067.db2.gz AOTPGXOROUWXII-QPJJXVBHSA-N 0 0 284.315 3.212 50 5 CGBARN CCCOc1cc(OC(F)(F)F)cc([N+](=O)[O-])c1 ZINC000261493438 190039115 /nfs/dbraw/zinc/03/91/15/190039115.db2.gz BBPYQAYKMTUKOE-UHFFFAOYSA-N 0 0 265.187 3.282 50 5 CGBARN CCOc1c(Cl)cc([N+](=O)[O-])cc1OC(C)C ZINC000261494399 190039879 /nfs/dbraw/zinc/03/98/79/190039879.db2.gz WNNLMEOYTFJIIG-UHFFFAOYSA-N 0 0 259.689 3.434 50 5 CGBARN O=[N+]([O-])c1cc(F)c(OC(F)F)c(Br)c1 ZINC000263624162 190070863 /nfs/dbraw/zinc/07/08/63/190070863.db2.gz NZVRUDSEEUVVFA-UHFFFAOYSA-N 0 0 286.003 3.098 50 5 CGBARN O=C(Cc1cccs1)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000002597417 169814815 /nfs/dbraw/zinc/81/48/15/169814815.db2.gz IIYPJWWVKVVKJB-UHFFFAOYSA-N 0 0 296.735 3.491 50 5 CGBARN CCc1csc([C@@H](C)Nc2nccc(C)c2[N+](=O)[O-])n1 ZINC000585092432 378397336 /nfs/dbraw/zinc/39/73/36/378397336.db2.gz WOZRWOICKQAJGF-SECBINFHSA-N 0 0 292.364 3.490 50 5 CGBARN Cc1cc(C(=O)Oc2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC000000060944 169522250 /nfs/dbraw/zinc/52/22/50/169522250.db2.gz LAGCXVCCMPWIFQ-UHFFFAOYSA-N 0 0 275.235 3.262 50 5 CGBARN CC(=O)c1ccc(OC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1 ZINC000000060941 169522279 /nfs/dbraw/zinc/52/22/79/169522279.db2.gz LILNIEMVSAMBOI-UHFFFAOYSA-N 0 0 299.282 3.325 50 5 CGBARN Cc1csc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)n1 ZINC000000447721 169643135 /nfs/dbraw/zinc/64/31/35/169643135.db2.gz PAKDGOLXSUCPGU-AATRIKPKSA-N 0 0 289.316 3.012 50 5 CGBARN O=[N+]([O-])c1cc(F)c(Br)cc1Br ZINC000263623131 285093189 /nfs/dbraw/zinc/09/31/89/285093189.db2.gz DXCYCYWVZMQAER-UHFFFAOYSA-N 0 0 298.893 3.259 50 5 CGBARN O=[N+]([O-])c1cc2[nH]c(-c3ccco3)cc2c([N+](=O)[O-])c1 ZINC000005770427 285097782 /nfs/dbraw/zinc/09/77/82/285097782.db2.gz LZKCRXNJESWKHY-UHFFFAOYSA-N 0 0 273.204 3.244 50 5 CGBARN O=[N+]([O-])c1ccc(-c2nc(-c3cccs3)no2)cc1 ZINC000000118341 285104138 /nfs/dbraw/zinc/10/41/38/285104138.db2.gz PJKOCQRSHMZZPS-UHFFFAOYSA-N 0 0 273.273 3.373 50 5 CGBARN O=[N+]([O-])c1ccc(Br)cc1Br ZINC000021303476 285109784 /nfs/dbraw/zinc/10/97/84/285109784.db2.gz DXRVYZGVVFZCFP-UHFFFAOYSA-N 0 0 280.903 3.120 50 5 CGBARN O=[N+]([O-])c1ccc(N[C@H]2CCCc3ccccc32)nc1 ZINC000023549933 285135996 /nfs/dbraw/zinc/13/59/96/285135996.db2.gz FPHIVFIZEDBOIU-AWEZNQCLSA-N 0 0 269.304 3.479 50 5 CGBARN O=c1oc2ccccc2c(NC2CCCC2)c1[N+](=O)[O-] ZINC000004380930 285229370 /nfs/dbraw/zinc/22/93/70/285229370.db2.gz ZNIHXYOHYXPNGH-UHFFFAOYSA-N 0 0 274.276 3.056 50 5 CGBARN CCOP(=O)(OCC)Oc1ccc([N+](=O)[O-])cc1 ZINC000001530487 169712251 /nfs/dbraw/zinc/71/22/51/169712251.db2.gz WYMSBXTXOHUIGT-UHFFFAOYSA-N 0 0 275.197 3.155 50 5 endogenous,in-man CGBARN O=C1Nc2ccc(F)cc2/C1=C/c1ccc([N+](=O)[O-])cc1 ZINC000000213373 391907896 /nfs/dbraw/zinc/90/78/96/391907896.db2.gz XTMWEXWRCDYTNW-QPEQYQDCSA-N 0 0 284.246 3.227 50 5 CGBARN Cc1cc(N2CCC(C)CC2)c(F)cc1[N+](=O)[O-] ZINC000003904578 391919268 /nfs/dbraw/zinc/91/92/68/391919268.db2.gz PAKQCVNCHGZBMU-UHFFFAOYSA-N 0 0 252.289 3.279 50 5 CGBARN CCOP(=O)(OCC)[C@H](C[N+](=O)[O-])c1ccccc1 ZINC000003011994 286187365 /nfs/dbraw/zinc/18/73/65/286187365.db2.gz IVURFUDNUSBKNB-GFCCVEGCSA-N 0 0 287.252 3.271 50 5 CGBARN O=C(/C=C/c1ccco1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000004699022 170000815 /nfs/dbraw/zinc/00/08/15/170000815.db2.gz NUFATNOGRIQEOU-GQCTYLIASA-N 0 0 292.678 3.493 50 5 CGBARN O=[N+]([O-])c1ccccc1Nc1ncnc2ccccc21 ZINC000004838449 170026753 /nfs/dbraw/zinc/02/67/53/170026753.db2.gz JUTKPCQZYLEVNQ-UHFFFAOYSA-N 0 0 266.260 3.282 50 5 CGBARN Cc1cc([N+](=O)[O-])ccc1NC(=O)/C=C/c1ccco1 ZINC000004854352 170031150 /nfs/dbraw/zinc/03/11/50/170031150.db2.gz UBJAOPSZBZOEIX-FNORWQNLSA-N 0 0 272.260 3.148 50 5 CGBARN CC(=O)c1cccc(NC(=O)c2cccc(C)c2[N+](=O)[O-])c1 ZINC000005677514 170127411 /nfs/dbraw/zinc/12/74/11/170127411.db2.gz DAUCPOKRDYTOMP-UHFFFAOYSA-N 0 0 298.298 3.358 50 5 CGBARN Cc1cccc(C(=O)N[C@@H](C)c2ccccc2)c1[N+](=O)[O-] ZINC000006524561 170210007 /nfs/dbraw/zinc/21/00/07/170210007.db2.gz GCDFYFABQCBFHS-LBPRGKRZSA-N 0 0 284.315 3.394 50 5 CGBARN COC(=O)c1cccc(Oc2ccccc2[N+](=O)[O-])c1 ZINC000007983597 170311749 /nfs/dbraw/zinc/31/17/49/170311749.db2.gz JLDBSSBLARPGPI-UHFFFAOYSA-N 0 0 273.244 3.174 50 5 CGBARN Cc1ccccc1CN1CCc2cc([N+](=O)[O-])ccc21 ZINC000008427997 170336070 /nfs/dbraw/zinc/33/60/70/170336070.db2.gz SEHGBIVLTONGKX-UHFFFAOYSA-N 0 0 268.316 3.466 50 5 CGBARN O=[N+]([O-])c1ccc([O-])c(NC(=S)Nc2ccccc2)c1 ZINC000008581758 170341789 /nfs/dbraw/zinc/34/17/89/170341789.db2.gz ZKFLJXAZHSLWDS-UHFFFAOYSA-N 0 0 289.316 3.109 50 5 CGBARN O=C(NCC1(c2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000008705144 170347787 /nfs/dbraw/zinc/34/77/87/170347787.db2.gz IMUMAIUHWIHNPZ-UHFFFAOYSA-N 0 0 296.326 3.056 50 5 CGBARN CCCc1noc(-c2ccc(NC(C)C)c([N+](=O)[O-])c2)n1 ZINC000020898011 171278507 /nfs/dbraw/zinc/27/85/07/171278507.db2.gz QOGOSCBBSWETKO-UHFFFAOYSA-N 0 0 290.323 3.418 50 5 CGBARN O=[N+]([O-])c1cccc(CN2CCc3sccc3C2)c1 ZINC000021418165 171303695 /nfs/dbraw/zinc/30/36/95/171303695.db2.gz XTFHRDRHCOXKLJ-UHFFFAOYSA-N 0 0 274.345 3.215 50 5 CGBARN C[C@@H]1CCCCN1C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000000473302 287260988 /nfs/dbraw/zinc/26/09/88/287260988.db2.gz KFNJAKRWFDECKM-SECBINFHSA-N 0 0 282.727 3.263 50 5 CGBARN O=[N+]([O-])c1cccnc1Oc1cc(F)ccc1F ZINC000078445742 177342262 /nfs/dbraw/zinc/34/22/62/177342262.db2.gz OUHDWOYBIGLEIT-UHFFFAOYSA-N 0 0 252.176 3.060 50 5 CGBARN O=[N+]([O-])c1ccc(Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000004522652 275037161 /nfs/dbraw/zinc/03/71/61/275037161.db2.gz MTWHRQTUBOTQTE-UHFFFAOYSA-N 0 0 259.221 3.247 50 5 in-vitro CGBARN CCN1c2ccccc2[S@](=O)c2cc([N+](=O)[O-])ccc21 ZINC000004773078 276414619 /nfs/dbraw/zinc/41/46/19/276414619.db2.gz ITBLSYQCKBREGR-HXUWFJFHSA-N 0 0 288.328 3.233 50 5 CGBARN COc1ccccc1-c1nc2ccc([N+](=O)[O-])cc2o1 ZINC000061997445 278044430 /nfs/dbraw/zinc/04/44/30/278044430.db2.gz UFOUARFMCFYGOE-UHFFFAOYSA-N 0 0 270.244 3.412 50 5 CGBARN Nc1c2cccnc2sc1-c1ccc([N+](=O)[O-])cc1 ZINC000098063814 279695437 /nfs/dbraw/zinc/69/54/37/279695437.db2.gz LVOAMVGEUOCQDM-UHFFFAOYSA-N 0 0 271.301 3.454 50 5 CGBARN C[C@H]1Cc2ccccc2N1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000013000995 280031808 /nfs/dbraw/zinc/03/18/08/280031808.db2.gz FVEGSJFZUHGVEC-VIFPVBQESA-N 0 0 288.328 3.248 50 5 CGBARN O=[N+]([O-])C1=Cc2ccccc2O[C@@H]1C(Cl)(Cl)Cl ZINC000006668628 280353266 /nfs/dbraw/zinc/35/32/66/280353266.db2.gz YXYSGEIJKFSRPM-VIFPVBQESA-N 0 0 294.521 3.435 50 5 CGBARN O=[N+]([O-])c1ccc(N2CCCCC2)c(Br)c1 ZINC000205536959 280366006 /nfs/dbraw/zinc/36/60/06/280366006.db2.gz SEYSGHFJTVXAFA-UHFFFAOYSA-N 0 0 285.141 3.348 50 5 CGBARN Cc1cc(N2CCC(C)CC2)c([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000004305241 280543548 /nfs/dbraw/zinc/54/35/48/280543548.db2.gz SHSWJZIZVKBLJY-UHFFFAOYSA-N 0 0 279.296 3.048 50 5 CGBARN Cc1occc1C(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000004902275 326812960 /nfs/dbraw/zinc/81/29/60/326812960.db2.gz YHQZFCOCCPADMK-UHFFFAOYSA-N 0 0 260.249 3.057 50 5 CGBARN COC(=O)c1cnc(/C=C\c2csc([N+](=O)[O-])c2)s1 ZINC000103840269 534305592 /nfs/dbraw/zinc/30/55/92/534305592.db2.gz XWKFYALZSIVJOV-IHWYPQMZSA-N 0 0 296.329 3.070 50 5 CGBARN CC(=O)N1c2ccccc2CO[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000075283382 345499912 /nfs/dbraw/zinc/49/99/12/345499912.db2.gz XULJYXYCJCOAJI-INIZCTEOSA-N 0 0 298.298 3.177 50 5 CGBARN O=[N+]([O-])c1ccc2c(Cl)nc(C(F)(F)F)nc2c1 ZINC000165741415 346184883 /nfs/dbraw/zinc/18/48/83/346184883.db2.gz PFLNEWKOOGWSOU-UHFFFAOYSA-N 0 0 277.589 3.210 50 5 CGBARN C/C(=C/c1ccc(F)c([N+](=O)[O-])c1)c1cnccn1 ZINC000192997312 346268690 /nfs/dbraw/zinc/26/86/90/346268690.db2.gz UUIVTYMTCDGKFI-TWGQIWQCSA-N 0 0 259.240 3.084 50 5 CGBARN COC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)c(F)c1 ZINC000097757205 185662371 /nfs/dbraw/zinc/66/23/71/185662371.db2.gz CSBFHSZOMYYTFI-UHFFFAOYSA-N 0 0 275.235 3.188 50 5 CGBARN O=C(Nc1cc([N+](=O)[O-])ccc1F)c1cccs1 ZINC000000054715 368279210 /nfs/dbraw/zinc/27/92/10/368279210.db2.gz UGHMJASCRKEIJI-UHFFFAOYSA-N 0 0 266.253 3.048 50 5 CGBARN Cc1nnc(SCc2ccc([N+](=O)[O-])cc2)s1 ZINC000000086803 368285176 /nfs/dbraw/zinc/28/51/76/368285176.db2.gz AUDLCZVUSGHUNJ-UHFFFAOYSA-N 0 0 267.335 3.047 50 5 CGBARN O=C(c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000000240961 368323455 /nfs/dbraw/zinc/32/34/55/368323455.db2.gz CLFRUWPJQKSRRT-UHFFFAOYSA-N 0 0 261.664 3.479 50 5 CGBARN Cc1ccc(C(=O)Oc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000000149028 368302513 /nfs/dbraw/zinc/30/25/13/368302513.db2.gz ONQBHQRVVOKKNZ-UHFFFAOYSA-N 0 0 275.235 3.262 50 5 CGBARN O=Cc1ccc(OCc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000000153737 368304856 /nfs/dbraw/zinc/30/48/56/368304856.db2.gz WMXZCHIRDDTONT-UHFFFAOYSA-N 0 0 275.235 3.125 50 5 CGBARN COc1ccc(NC(=O)c2ccc([N+](=O)[O-])o2)cc1Cl ZINC000000259770 368326890 /nfs/dbraw/zinc/32/68/90/368326890.db2.gz QGSZIZJTVADYBR-UHFFFAOYSA-N 0 0 296.666 3.102 50 5 CGBARN Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])o2)cc1Cl ZINC000000272540 368329255 /nfs/dbraw/zinc/32/92/55/368329255.db2.gz PEXZPBDFOHSZOO-UHFFFAOYSA-N 0 0 280.667 3.402 50 5 CGBARN CCc1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000000271916 368329585 /nfs/dbraw/zinc/32/95/85/368329585.db2.gz QULBNOHQPVXULW-UHFFFAOYSA-N 0 0 270.288 3.410 50 5 CGBARN Cc1ccc(C(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000000456993 368371454 /nfs/dbraw/zinc/37/14/54/368371454.db2.gz ZOQMJNOFVRAQFY-UHFFFAOYSA-N 0 0 255.273 3.443 50 5 CGBARN O=C(Cc1ccc(F)cc1)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000000302950 368337362 /nfs/dbraw/zinc/33/73/62/368337362.db2.gz MWEDWXZDTKDLFI-UHFFFAOYSA-N 0 0 292.241 3.054 50 5 CGBARN Cc1cccc(C(=O)N2CCc3ccccc3C2)c1[N+](=O)[O-] ZINC000000464267 368373091 /nfs/dbraw/zinc/37/30/91/368373091.db2.gz VLXJGBPUASSWDX-UHFFFAOYSA-N 0 0 296.326 3.102 50 5 CGBARN O=[N+]([O-])c1cccc(Cc2cccc([N+](=O)[O-])c2)c1 ZINC000001562025 368417742 /nfs/dbraw/zinc/41/77/42/368417742.db2.gz PEZWBZASSSYMTG-UHFFFAOYSA-N 0 0 258.233 3.094 50 5 CGBARN O=C(Nc1cccc([N+](=O)[O-])c1)[C@H]1C[C@H]1c1ccccc1 ZINC000002464494 368456268 /nfs/dbraw/zinc/45/62/68/368456268.db2.gz UJHYOMVTFAFFGU-GJZGRUSLSA-N 0 0 282.299 3.337 50 5 CGBARN CCCC[C@@H]1C[C@@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000004125218 368532524 /nfs/dbraw/zinc/53/25/24/368532524.db2.gz MXDIEQXRHCTJFQ-MFKMUULPSA-N 0 0 262.309 3.360 50 5 CGBARN O=C(CC1CCCC1)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000003569853 368513653 /nfs/dbraw/zinc/51/36/53/368513653.db2.gz ISKQXFGQCBKZDL-UHFFFAOYSA-N 0 0 266.272 3.253 50 5 CGBARN Cc1ccc(NC(=O)Cc2ccccc2[N+](=O)[O-])c(C)c1 ZINC000012808513 368628021 /nfs/dbraw/zinc/62/80/21/368628021.db2.gz XTMMLNXACCDVEZ-UHFFFAOYSA-N 0 0 284.315 3.393 50 5 CGBARN O=C(Nc1ccc(F)cc1[N+](=O)[O-])c1ccccc1F ZINC000012907571 368633722 /nfs/dbraw/zinc/63/37/22/368633722.db2.gz GAMKBRKVVAWXBP-UHFFFAOYSA-N 0 0 278.214 3.125 50 5 CGBARN Cc1cc(C)cc(COc2ccc(C)nc2[N+](=O)[O-])c1 ZINC000013107550 368642583 /nfs/dbraw/zinc/64/25/83/368642583.db2.gz OLUBEPXJQDDIPH-UHFFFAOYSA-N 0 0 272.304 3.494 50 5 CGBARN CC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC000015543886 368697495 /nfs/dbraw/zinc/69/74/95/368697495.db2.gz CWXILKZVKAVMCM-UHFFFAOYSA-N 0 0 290.300 3.111 50 5 CGBARN Cc1ccc(C(=O)N2[C@H](C)CCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000017719501 368733690 /nfs/dbraw/zinc/73/36/90/368733690.db2.gz WHYBMUHSHMSFGC-TXEJJXNPSA-N 0 0 276.336 3.306 50 5 CGBARN C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)C[C@H]1C=CCC1 ZINC000032748286 368942451 /nfs/dbraw/zinc/94/24/51/368942451.db2.gz YDVYKFHJGZWLOR-OLZOCXBDSA-N 0 0 288.347 3.471 50 5 CGBARN CC(=O)c1ccc(Oc2ccc(C)nc2)c([N+](=O)[O-])c1 ZINC000049099848 369388773 /nfs/dbraw/zinc/38/87/73/369388773.db2.gz AMQYEMIHWHTJNM-UHFFFAOYSA-N 0 0 272.260 3.293 50 5 CGBARN Cc1nn(-c2ccc([N+](=O)[O-])cc2)c(C)c1Br ZINC000050594558 369441084 /nfs/dbraw/zinc/44/10/84/369441084.db2.gz LBSGBNRINWZGAW-UHFFFAOYSA-N 0 0 296.124 3.160 50 5 CGBARN Cc1ncc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)s1 ZINC000337291581 376197459 /nfs/dbraw/zinc/19/74/59/376197459.db2.gz LXGJADMQPAFHJX-UHFFFAOYSA-N 0 0 297.723 3.265 50 5 CGBARN Cc1cccc(C(=O)Nc2cc(C(C)C)[nH]n2)c1[N+](=O)[O-] ZINC000069660460 369766666 /nfs/dbraw/zinc/76/66/66/369766666.db2.gz UXKRXUBRJWSUDP-UHFFFAOYSA-N 0 0 288.307 3.002 50 5 CGBARN CCC(CC)CN(CC)c1ccc([N+](=O)[O-])cn1 ZINC000084727470 370015418 /nfs/dbraw/zinc/01/54/18/370015418.db2.gz UKESFKXGKDOTNR-UHFFFAOYSA-N 0 0 251.330 3.252 50 5 CGBARN CC(C)N(C(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-])C1CC1 ZINC000098055534 370261403 /nfs/dbraw/zinc/26/14/03/370261403.db2.gz UMUZTBCGHGUTEW-YWEYNIOJSA-N 0 0 292.310 3.147 50 5 CGBARN O=[N+]([O-])c1cccc(CN2CCCC[C@H]2c2cn[nH]c2)c1 ZINC000114484599 370502801 /nfs/dbraw/zinc/50/28/01/370502801.db2.gz KCLBWQWKTCIONV-HNNXBMFYSA-N 0 0 286.335 3.045 50 5 CGBARN O=[N+]([O-])c1ccc(N2CCC[C@H]2c2cc[nH]n2)c(Cl)c1 ZINC000170616233 372643964 /nfs/dbraw/zinc/64/39/64/372643964.db2.gz NJEVBXCGKQGBCB-ZDUSSCGKSA-N 0 0 292.726 3.313 50 5 CGBARN CCN(C(=O)OC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000261494486 190039803 /nfs/dbraw/zinc/03/98/03/190039803.db2.gz YTBQEEFWIDOQSS-UHFFFAOYSA-N 0 0 266.297 3.356 50 5 CGBARN Cc1cc(Br)c([N+](=O)[O-])c(OC(F)F)c1 ZINC000263625247 190070868 /nfs/dbraw/zinc/07/08/68/190070868.db2.gz YAPIGQGLBKODBJ-UHFFFAOYSA-N 0 0 282.040 3.267 50 5 CGBARN Cc1ccc(-c2nc(-c3cccnc3)no2)cc1[N+](=O)[O-] ZINC000000078905 169528951 /nfs/dbraw/zinc/52/89/51/169528951.db2.gz WDIOXVKXEPBBAT-UHFFFAOYSA-N 0 0 282.259 3.015 50 5 CGBARN C[C@@H]1C[C@@H](C)CN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000000304747 169603308 /nfs/dbraw/zinc/60/33/08/169603308.db2.gz SLHVDARZXWSAPZ-NXEZZACHSA-N 0 0 296.754 3.366 50 5 CGBARN O=[N+]([O-])c1cccnc1Sc1ccc(F)cc1 ZINC000000334904 169610053 /nfs/dbraw/zinc/61/00/53/169610053.db2.gz AWNKYOQHMZMLDY-UHFFFAOYSA-N 0 0 250.254 3.280 50 5 CGBARN O=[N+]([O-])c1cc(F)c(Cl)cc1OC(F)(F)F ZINC000095215449 285093185 /nfs/dbraw/zinc/09/31/85/285093185.db2.gz SVXYHVJHRXLOSA-UHFFFAOYSA-N 0 0 259.542 3.286 50 5 CGBARN O=[N+]([O-])c1ccc(-c2noc(-c3cccs3)n2)cc1 ZINC000000078557 285105514 /nfs/dbraw/zinc/10/55/14/285105514.db2.gz RNBDDVSNTYIAEV-UHFFFAOYSA-N 0 0 273.273 3.373 50 5 CGBARN O=[N+]([O-])c1cc(OC(F)F)c(Br)cc1F ZINC000095215623 184947496 /nfs/dbraw/zinc/94/74/96/184947496.db2.gz LYRFADAHIFOCPH-UHFFFAOYSA-N 0 0 286.003 3.098 50 5 CGBARN Cc1cc(F)ccc1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000003524019 391916841 /nfs/dbraw/zinc/91/68/41/391916841.db2.gz ATXKVZGWARXJMS-UHFFFAOYSA-N 0 0 274.251 3.295 50 5 CGBARN C[C@H]1CCCN(c2ccc([N+](=O)[O-])c3cnccc32)C1 ZINC000012558201 391929235 /nfs/dbraw/zinc/92/92/35/391929235.db2.gz IQZXXMZJDSNAEN-NSHDSACASA-N 0 0 271.320 3.379 50 5 CGBARN Cc1cc(C(=O)N[C@H](C)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000669368689 543103272 /nfs/dbraw/zinc/10/32/72/543103272.db2.gz CUKDAOYQUYRFNT-CYBMUJFWSA-N 0 0 298.342 3.264 50 5 CGBARN Cc1ccc([C@@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)o1 ZINC000003289680 169875656 /nfs/dbraw/zinc/87/56/56/169875656.db2.gz FCTUTLDYAWDQFR-ZDUSSCGKSA-N 0 0 270.288 3.478 50 5 CGBARN Cc1ccc(OC/C=C/c2ccccc2)c([N+](=O)[O-])n1 ZINC000005970387 170164237 /nfs/dbraw/zinc/16/42/37/170164237.db2.gz DUWXOALTJVZKHP-VMPITWQZSA-N 0 0 270.288 3.390 50 5 CGBARN CCC(C)(C)NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000007345928 170278555 /nfs/dbraw/zinc/27/85/55/170278555.db2.gz FABJYSVVHDMRAS-UHFFFAOYSA-N 0 0 270.716 3.167 50 5 CGBARN Cn1cnc([N+](=O)[O-])c1SCc1ccc(Cl)cc1 ZINC000008308887 170330308 /nfs/dbraw/zinc/33/03/08/170330308.db2.gz RGLPTNUXPUNTGU-UHFFFAOYSA-N 0 0 283.740 3.274 50 5 CGBARN COc1ccc(C)cc1Nc1ncccc1[N+](=O)[O-] ZINC000009314181 170371370 /nfs/dbraw/zinc/37/13/70/170371370.db2.gz PZSGFRVDKVHCSN-UHFFFAOYSA-N 0 0 259.265 3.050 50 5 CGBARN CCc1ccc(NCc2c(C)noc2C)cc1[N+](=O)[O-] ZINC000026788873 171499556 /nfs/dbraw/zinc/49/95/56/171499556.db2.gz CIDLCPVWKSWSJK-UHFFFAOYSA-N 0 0 275.308 3.374 50 5 CGBARN C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)[C@H]1CC=CCC1 ZINC000032772652 171749648 /nfs/dbraw/zinc/74/96/48/171749648.db2.gz YCBNMGSERKZSJD-OLZOCXBDSA-N 0 0 288.347 3.471 50 5 CGBARN C[C@@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000005515807 287260995 /nfs/dbraw/zinc/26/09/95/287260995.db2.gz RKVIDSXELOQVNJ-SECBINFHSA-N 0 0 282.727 3.263 50 5 CGBARN O=C(NCCSC1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000040082525 174187498 /nfs/dbraw/zinc/18/74/98/174187498.db2.gz OLASDSRBTPKALM-UHFFFAOYSA-N 0 0 294.376 3.000 50 5 CGBARN CSC(C)(C)CNC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000076068983 176897825 /nfs/dbraw/zinc/89/78/25/176897825.db2.gz IGHPWIMAZCQZRA-UHFFFAOYSA-N 0 0 297.380 3.166 50 5 CGBARN O=C1O/C(=C\c2ccc([N+](=O)[O-])cc2)c2ccccc21 ZINC000000492561 275026660 /nfs/dbraw/zinc/02/66/60/275026660.db2.gz UICVKJHQZUAKLT-ZROIWOOFSA-N 0 0 267.240 3.263 50 5 CGBARN CC(C)(C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000000619456 275511860 /nfs/dbraw/zinc/51/18/60/275511860.db2.gz YUVCVYMTLJQUAH-UHFFFAOYSA-N 0 0 261.281 3.233 50 5 CGBARN CNc1ccc(-c2nc(-c3ccccc3)no2)cc1[N+](=O)[O-] ZINC000007499439 277302316 /nfs/dbraw/zinc/30/23/16/277302316.db2.gz MCZPCYBYMXPTCK-UHFFFAOYSA-N 0 0 296.286 3.354 50 5 CGBARN CC(C)(CNc1cc(N)ccc1[N+](=O)[O-])C(F)(F)F ZINC000330032156 277303596 /nfs/dbraw/zinc/30/35/96/277303596.db2.gz IXTLDLCFFFJXPJ-UHFFFAOYSA-N 0 0 277.246 3.177 50 5 CGBARN CC(C)[C@H]1CCCN1c1ccc(F)cc1[N+](=O)[O-] ZINC000075124060 277940587 /nfs/dbraw/zinc/94/05/87/277940587.db2.gz MIDXKVNJLCJYID-LLVKDONJSA-N 0 0 252.289 3.359 50 5 CGBARN COc1ccc2nc3cc([N+](=O)[O-])cc([N+](=O)[O-])c3cc2c1 ZINC000004548830 278004941 /nfs/dbraw/zinc/00/49/41/278004941.db2.gz CRYJVOJYFUOYSC-UHFFFAOYSA-N 0 0 299.242 3.213 50 5 CGBARN CC(C)c1onc(C(=O)N2[C@H](C)CCC[C@@H]2C)c1[N+](=O)[O-] ZINC000013483440 278114857 /nfs/dbraw/zinc/11/48/57/278114857.db2.gz MKBBHXUZQCSDIT-AOOOYVTPSA-N 0 0 295.339 3.109 50 5 CGBARN O=[N+]([O-])C1=Cc2ccccc2O[C@@H]1c1ccccc1 ZINC000000033966 280353142 /nfs/dbraw/zinc/35/31/42/280353142.db2.gz ULXCGRAUCRLSRG-OAHLLOKOSA-N 0 0 253.257 3.438 50 5 CGBARN C[C@H]1CCCCN1C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000000473301 290380665 /nfs/dbraw/zinc/38/06/65/290380665.db2.gz KFNJAKRWFDECKM-VIFPVBQESA-N 0 0 282.727 3.263 50 5 CGBARN COC(=O)c1ccc(COc2ccc([N+](=O)[O-])cc2)s1 ZINC000122188439 534151645 /nfs/dbraw/zinc/15/16/45/534151645.db2.gz UTZGVHANVGDIMY-UHFFFAOYSA-N 0 0 293.300 3.022 50 5 CGBARN O=[N+]([O-])[C@]1(Br)CCC[C@H](C(F)(F)F)C1 ZINC000958528114 640826986 /nfs/dbraw/zinc/82/69/86/640826986.db2.gz JUZVZGCZILIHFA-NTSWFWBYSA-N 0 0 276.052 3.107 50 5 CGBARN O=C(Nc1ccccc1F)c1ccc([N+](=O)[O-])s1 ZINC000004076708 230368667 /nfs/dbraw/zinc/36/86/67/230368667.db2.gz BOPKXLLUZSPQTQ-UHFFFAOYSA-N 0 0 266.253 3.048 50 5 CGBARN Nc1ccc(Br)c2cccc([N+](=O)[O-])c12 ZINC000075283828 345499577 /nfs/dbraw/zinc/49/95/77/345499577.db2.gz AZVZSDRMOSRNNV-UHFFFAOYSA-N 0 0 267.082 3.093 50 5 CGBARN Cc1nnc([C@@H](Nc2ccc([N+](=O)[O-])c(C)c2)C(C)C)[nH]1 ZINC000079022779 345628717 /nfs/dbraw/zinc/62/87/17/345628717.db2.gz WCIBQIWEPDDZLN-ZDUSSCGKSA-N 0 0 289.339 3.139 50 5 CGBARN CCOc1ccc(Br)c(C)c1[N+](=O)[O-] ZINC000606304496 348174275 /nfs/dbraw/zinc/17/42/75/348174275.db2.gz XYPMDFCUKUQWAH-UHFFFAOYSA-N 0 0 260.087 3.064 50 5 CGBARN CC(C)(C)OC(=O)Nc1cc(F)ccc1[N+](=O)[O-] ZINC000089064950 179696527 /nfs/dbraw/zinc/69/65/27/179696527.db2.gz KQXLDRFQXVVIJB-UHFFFAOYSA-N 0 0 256.233 3.081 50 5 CGBARN O=[N+]([O-])c1cccc(-c2nnc3ccc4ccccc4n32)c1 ZINC000000092749 368287415 /nfs/dbraw/zinc/28/74/15/368287415.db2.gz BEQYRFSUIRGHST-UHFFFAOYSA-N 0 0 290.282 3.458 50 5 CGBARN O=[N+]([O-])c1cc(C2CCCCC2)ccc1OC[C@@H]1CO1 ZINC000000155487 368305184 /nfs/dbraw/zinc/30/51/84/368305184.db2.gz INZCNOKFEIDSKJ-ZDUSSCGKSA-N 0 0 277.320 3.420 50 5 CGBARN O=C(CSc1ccccc1)Nc1cccc([N+](=O)[O-])c1 ZINC000000442874 368367974 /nfs/dbraw/zinc/36/79/74/368367974.db2.gz ATQSXORPAKKDPF-UHFFFAOYSA-N 0 0 288.328 3.326 50 5 CGBARN C[C@H]1C[C@H](C)CN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000000456592 368370990 /nfs/dbraw/zinc/37/09/90/368370990.db2.gz WEBWUBDICLBMLX-XKZLPGLHSA-N 0 0 288.347 3.113 50 5 CGBARN CC(=O)[C@H](C)Sc1ccc(Cl)cc1[N+](=O)[O-] ZINC000000339727 368343323 /nfs/dbraw/zinc/34/33/23/368343323.db2.gz ZOVXKZDFNPZXQS-ZETCQYMHSA-N 0 0 259.714 3.318 50 5 CGBARN O=C(NC1CC1)c1sc2cc([N+](=O)[O-])ccc2c1Cl ZINC000000355106 368346768 /nfs/dbraw/zinc/34/67/68/368346768.db2.gz OIUDYFKPVUVMDF-UHFFFAOYSA-N 0 0 296.735 3.355 50 5 CGBARN CCC[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000000372634 368351875 /nfs/dbraw/zinc/35/18/75/368351875.db2.gz FJQAEIWKLICZKC-SNVBAGLBSA-N 0 0 250.298 3.278 50 5 CGBARN Cc1cnc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)s1 ZINC000000484777 368377801 /nfs/dbraw/zinc/37/78/01/368377801.db2.gz ZJGTXZUBQNSTEW-AATRIKPKSA-N 0 0 289.316 3.012 50 5 CGBARN COc1ccc([C@@H]2CC2(Cl)Cl)cc1[N+](=O)[O-] ZINC000000494827 368378988 /nfs/dbraw/zinc/37/89/88/368378988.db2.gz BSPPTLGOZWAWGN-ZETCQYMHSA-N 0 0 262.092 3.265 50 5 CGBARN CC(=O)[C@@H](C)Oc1ccc2c(c1)oc(=O)c1ccccc21 ZINC000000500419 368380117 /nfs/dbraw/zinc/38/01/17/368380117.db2.gz NTCZZFLTUKWCHE-LLVKDONJSA-N 0 0 282.295 3.303 50 5 CGBARN O=C(CCNc1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000000564054 368388049 /nfs/dbraw/zinc/38/80/49/368388049.db2.gz OFONVKMWTVRJOM-UHFFFAOYSA-N 0 0 288.278 3.419 50 5 CGBARN COc1cccc(-c2nc3cc([N+](=O)[O-])ccc3[nH]2)c1 ZINC000000793088 368394853 /nfs/dbraw/zinc/39/48/53/368394853.db2.gz XOQUUEKXJRFABJ-UHFFFAOYSA-N 0 0 269.260 3.147 50 5 CGBARN CCOC(=O)c1ccc(C(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000002392594 368455062 /nfs/dbraw/zinc/45/50/62/368455062.db2.gz IUXAUUIRPSPUIT-UHFFFAOYSA-N 0 0 299.282 3.003 50 5 CGBARN O=[N+]([O-])c1ccc(OC(F)F)c(C(F)(F)F)c1 ZINC000002540266 368461472 /nfs/dbraw/zinc/46/14/72/368461472.db2.gz NNSOMFYZAXRBJY-UHFFFAOYSA-N 0 0 257.114 3.215 50 5 CGBARN COc1cccc(OC(=O)c2cccc([N+](=O)[O-])c2C)c1 ZINC000002955860 368486225 /nfs/dbraw/zinc/48/62/25/368486225.db2.gz MMPJRWWNNWRYQQ-UHFFFAOYSA-N 0 0 287.271 3.131 50 5 CGBARN CC(C)Oc1cc([N+](=O)[O-])c([N+](=O)[O-])cc1OC(C)C ZINC000003882247 368521787 /nfs/dbraw/zinc/52/17/87/368521787.db2.gz ZBBIUMBWEGITOV-UHFFFAOYSA-N 0 0 284.268 3.077 50 5 CGBARN CC(C)N1C(=O)S/C(=C/c2ccccc2[N+](=O)[O-])C1=O ZINC000004545310 368550925 /nfs/dbraw/zinc/55/09/25/368550925.db2.gz OHZOOSCFCFWUPL-YRNVUSSQSA-N 0 0 292.316 3.040 50 5 CGBARN CC(=O)c1cc(N2CCC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000008762668 368575635 /nfs/dbraw/zinc/57/56/35/368575635.db2.gz BHOBIHHOXKMPIG-JTQLQIEISA-N 0 0 262.309 3.034 50 5 CGBARN O=C(N[C@@H]1CCc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000010960202 368587338 /nfs/dbraw/zinc/58/73/38/368587338.db2.gz REIQYFQYLNYDER-OAHLLOKOSA-N 0 0 282.299 3.012 50 5 CGBARN O=Cc1cc([N+](=O)[O-])ccc1SCc1ccco1 ZINC000012336661 368607733 /nfs/dbraw/zinc/60/77/33/368607733.db2.gz QYZHMLCZXRPAQO-UHFFFAOYSA-N 0 0 263.274 3.293 50 5 CGBARN O=[N+]([O-])c1cccnc1Nc1ccc(N2CCCCC2)nc1 ZINC000012516088 368615973 /nfs/dbraw/zinc/61/59/73/368615973.db2.gz OJHQTQQCWDVSFT-UHFFFAOYSA-N 0 0 299.334 3.119 50 5 CGBARN CCOc1ccccc1CNc1ncccc1[N+](=O)[O-] ZINC000019875073 368774083 /nfs/dbraw/zinc/77/40/83/368774083.db2.gz FBWFACVCLKUFOP-UHFFFAOYSA-N 0 0 273.292 3.001 50 5 CGBARN CCOc1ccc(CN(C)c2ncccc2[N+](=O)[O-])cc1 ZINC000024106950 368829017 /nfs/dbraw/zinc/82/90/17/368829017.db2.gz QYQVMTMWCUQCNN-UHFFFAOYSA-N 0 0 287.319 3.025 50 5 CGBARN O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccc(F)c(F)c1 ZINC000025125918 368841689 /nfs/dbraw/zinc/84/16/89/368841689.db2.gz IEOUVRAHNLMHRE-UHFFFAOYSA-N 0 0 278.214 3.125 50 5 CGBARN CCc1cc(NCC2CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000064905640 369662017 /nfs/dbraw/zinc/66/20/17/369662017.db2.gz KALIYBUMFDXNCZ-UHFFFAOYSA-N 0 0 298.346 3.436 50 5 CGBARN CCCCOc1cc(N)c([N+](=O)[O-])cc1Br ZINC000065336868 369667472 /nfs/dbraw/zinc/66/74/72/369667472.db2.gz MGECGULQZHLGPU-UHFFFAOYSA-N 0 0 289.129 3.118 50 5 CGBARN O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCc3ccccc32)cc1[O-] ZINC000069591370 369764490 /nfs/dbraw/zinc/76/44/90/369764490.db2.gz GUZNYMYDQGYXCB-CQSZACIVSA-N 0 0 284.315 3.078 50 5 CGBARN Cn1ccnc1/C=C/c1ccc2c(cccc2[N+](=O)[O-])n1 ZINC000071799386 369812266 /nfs/dbraw/zinc/81/22/66/369812266.db2.gz MBKWBGQRXHWYPA-SOFGYWHQSA-N 0 0 280.287 3.047 50 5 CGBARN Cc1ccc(N2Cc3ccccc3C2=O)c([N+](=O)[O-])c1 ZINC000070461124 369800998 /nfs/dbraw/zinc/80/09/98/369800998.db2.gz MSMKVLJCIKGANU-UHFFFAOYSA-N 0 0 268.272 3.064 50 5 CGBARN CCS[C@H]1CCCC[C@H]1Nc1ncccc1[N+](=O)[O-] ZINC000075105367 369895554 /nfs/dbraw/zinc/89/55/54/369895554.db2.gz WMTSXWXMNNFWFX-PWSUYJOCSA-N 0 0 281.381 3.466 50 5 CGBARN CC(C)Nc1c(F)c(F)c(Br)cc1[N+](=O)[O-] ZINC000085477004 370019238 /nfs/dbraw/zinc/01/92/38/370019238.db2.gz QOYVWOSVTZRFAC-UHFFFAOYSA-N 0 0 295.083 3.456 50 5 CGBARN CCC[C@H]1CCCN(C(=O)Nc2ccncc2[N+](=O)[O-])C1 ZINC000097080993 370222281 /nfs/dbraw/zinc/22/22/81/370222281.db2.gz OYXCYYSWOXYRAR-NSHDSACASA-N 0 0 292.339 3.034 50 5 CGBARN CCCN(C(=O)C1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000194138016 375963546 /nfs/dbraw/zinc/96/35/46/375963546.db2.gz GMAHGPMDTOHOBC-UHFFFAOYSA-N 0 0 262.309 3.138 50 5 CGBARN CCOC(=O)c1ccc(NC2CCCC2)c([N+](=O)[O-])c1 ZINC000225876132 376332515 /nfs/dbraw/zinc/33/25/15/376332515.db2.gz CVVMBCXAIQNESO-UHFFFAOYSA-N 0 0 278.308 3.126 50 5 CGBARN Cc1cc(Br)c(OC(F)F)c([N+](=O)[O-])c1 ZINC000263622995 190070091 /nfs/dbraw/zinc/07/00/91/190070091.db2.gz CTALRZXFLWRRQX-UHFFFAOYSA-N 0 0 282.040 3.267 50 5 CGBARN Cc1ccc(OC(F)F)c([N+](=O)[O-])c1Br ZINC000263622700 190070689 /nfs/dbraw/zinc/07/06/89/190070689.db2.gz ACCOMVLTJNJLRA-UHFFFAOYSA-N 0 0 282.040 3.267 50 5 CGBARN Cc1nn(Cc2ccc(Cl)cc2)c(C)c1[N+](=O)[O-] ZINC000000380110 169623773 /nfs/dbraw/zinc/62/37/73/169623773.db2.gz VANLIIHBSYLYJL-UHFFFAOYSA-N 0 0 265.700 3.110 50 5 CGBARN O=[N+]([O-])c1cc(OC(F)(F)F)c(Cl)cc1F ZINC000095215411 285096790 /nfs/dbraw/zinc/09/67/90/285096790.db2.gz YWELXMLINUDPAH-UHFFFAOYSA-N 0 0 259.542 3.286 50 5 CGBARN O=[N+]([O-])c1cccc2c(Br)ccc([N+](=O)[O-])c21 ZINC000002187149 285157002 /nfs/dbraw/zinc/15/70/02/285157002.db2.gz AKXJGGFSIKWOTR-UHFFFAOYSA-N 0 0 297.064 3.419 50 5 CGBARN O=C(NCc1ccc(F)cc1)Nc1cccc([N+](=O)[O-])c1 ZINC000000609418 169673805 /nfs/dbraw/zinc/67/38/05/169673805.db2.gz GEXKWUMRGDTAMQ-UHFFFAOYSA-N 0 0 289.266 3.056 50 5 CGBARN O=[N+]([O-])c1ccc(CNc2ccccc2CO)cc1Cl ZINC000187532744 392789267 /nfs/dbraw/zinc/78/92/67/392789267.db2.gz QVXFNMJPHFLGKM-UHFFFAOYSA-N 0 0 292.722 3.353 50 5 CGBARN O=[N+]([O-])c1ccccc1/C=C/C=C\c1ccncn1 ZINC000390834657 392928021 /nfs/dbraw/zinc/92/80/21/392928021.db2.gz LPJMVKJMCOMGQU-ZFHWUWDOSA-N 0 0 253.261 3.111 50 5 CGBARN COc1ccc(CNc2cccc([N+](=O)[O-])c2)cc1 ZINC000002164790 169778210 /nfs/dbraw/zinc/77/82/10/169778210.db2.gz KEAKJFQOFXVQFJ-UHFFFAOYSA-N 0 0 258.277 3.216 50 5 CGBARN Cc1ccc(NC(=O)N2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000002172200 169779495 /nfs/dbraw/zinc/77/94/95/169779495.db2.gz JHUCMUHUUYLMSI-SNVBAGLBSA-N 0 0 277.324 3.167 50 5 CGBARN O=C(NCc1cccs1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000002767033 169827389 /nfs/dbraw/zinc/82/73/89/169827389.db2.gz HVWJQUYAVOJAJW-UHFFFAOYSA-N 0 0 296.735 3.240 50 5 CGBARN CCc1ccc(Nc2ccc3nonc3c2[N+](=O)[O-])cc1 ZINC000004812715 170022010 /nfs/dbraw/zinc/02/20/10/170022010.db2.gz CNJLPPPOMZTHSV-UHFFFAOYSA-N 0 0 284.275 3.437 50 5 CGBARN O=[N+]([O-])c1ccccc1NCCc1nc2ccccc2[nH]1 ZINC000007128712 170267976 /nfs/dbraw/zinc/26/79/76/170267976.db2.gz LSHJLWUBUPQGHR-UHFFFAOYSA-N 0 0 282.303 3.126 50 5 CGBARN CSc1cccc(Nc2ncccc2[N+](=O)[O-])c1 ZINC000007185689 170270403 /nfs/dbraw/zinc/27/04/03/170270403.db2.gz DCWMDRAFWCNZKI-UHFFFAOYSA-N 0 0 261.306 3.455 50 5 CGBARN Cc1c(NC(=O)Cc2cccc(F)c2)cccc1[N+](=O)[O-] ZINC000008268115 170327866 /nfs/dbraw/zinc/32/78/66/170327866.db2.gz FMZYFAYCUUWXFE-UHFFFAOYSA-N 0 0 288.278 3.224 50 5 CGBARN O=[N+]([O-])c1c(Oc2ccc(F)cc2)nc2sccn21 ZINC000008308596 170330054 /nfs/dbraw/zinc/33/00/54/170330054.db2.gz QQTFZYYXYASQNR-UHFFFAOYSA-N 0 0 279.252 3.235 50 5 CGBARN O=[N+]([O-])c1cccnc1Nc1ccc(N2CCCC2)cc1 ZINC000009367614 170374764 /nfs/dbraw/zinc/37/47/64/170374764.db2.gz JSUSLTBBBMXXGH-UHFFFAOYSA-N 0 0 284.319 3.334 50 5 CGBARN CCc1ccc([C@@H]2Nc3ccccc3C(=O)N2)cc1[N+](=O)[O-] ZINC000009468685 170377646 /nfs/dbraw/zinc/37/76/46/170377646.db2.gz FBCROSFOJSEODI-OAHLLOKOSA-N 0 0 297.314 3.011 50 5 CGBARN Cc1coc2cc3o/c(=N/N)c4ccccc4c3cc12 ZINC000009477185 170377749 /nfs/dbraw/zinc/37/77/49/170377749.db2.gz GJMKIUXBDDADIY-FBMGVBCBSA-N 0 0 264.284 3.415 50 5 CGBARN O=[N+]([O-])c1cccc(NC(=S)Nc2cccc(O)c2)c1 ZINC000017022198 170721638 /nfs/dbraw/zinc/72/16/38/170721638.db2.gz QVEZFARGEHVQDR-UHFFFAOYSA-N 0 0 289.316 3.109 50 5 CGBARN O=[N+]([O-])c1cc(Cl)ccc1NCc1ccco1 ZINC000019233410 170758110 /nfs/dbraw/zinc/75/81/10/170758110.db2.gz QRUCWMVJKDYPRR-UHFFFAOYSA-N 0 0 252.657 3.453 50 5 CGBARN O=[N+]([O-])c1ccc(NCCOc2ccccc2Cl)nc1 ZINC000020481717 171222223 /nfs/dbraw/zinc/22/22/23/171222223.db2.gz PPLBMVVITHIJOV-UHFFFAOYSA-N 0 0 293.710 3.134 50 5 CGBARN Cc1ccc([C@@H](C)Nc2nc3ccccn3c2[N+](=O)[O-])o1 ZINC000021673817 171319023 /nfs/dbraw/zinc/31/90/23/171319023.db2.gz HSQTWJCCHVBLOV-SNVBAGLBSA-N 0 0 286.291 3.317 50 5 CGBARN O=[N+]([O-])c1ccc2nc(NCc3ccccn3)sc2c1 ZINC000026424200 171483758 /nfs/dbraw/zinc/48/37/58/171483758.db2.gz OYJMRQOQACMWMJ-UHFFFAOYSA-N 0 0 286.316 3.212 50 5 CGBARN O=c1[nH]c(C=Cc2cccc([N+](=O)[O-])c2)nc2ccccc12 ZINC000033401008 171789983 /nfs/dbraw/zinc/78/99/83/171789983.db2.gz FERQBHWZLMXRBT-HJWRWDBZSA-N 0 0 293.282 3.002 50 5 CGBARN CCCCCOC(=O)C(C)(C)CC[C@@H](C)[N+](=O)[O-] ZINC000045068402 175300218 /nfs/dbraw/zinc/30/02/18/175300218.db2.gz YVTKXQZABVNMMV-LLVKDONJSA-N 0 0 259.346 3.191 50 5 CGBARN O=[N+]([O-])c1ccccc1N[C@@H](CCO)c1cccs1 ZINC000072293849 176363056 /nfs/dbraw/zinc/36/30/56/176363056.db2.gz KIHCKEGQCJHQLR-NSHDSACASA-N 0 0 278.333 3.192 50 5 CGBARN O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccc2ccccc2n1 ZINC000003897253 274997598 /nfs/dbraw/zinc/99/75/98/274997598.db2.gz KDMFKOCHLDSHAO-UHFFFAOYSA-N 0 0 293.282 3.395 50 5 CGBARN O=C(Nc1ccccn1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000004059105 275000205 /nfs/dbraw/zinc/00/02/05/275000205.db2.gz YILNHZTYJCRLPJ-UHFFFAOYSA-N 0 0 299.311 3.457 50 5 CGBARN C[C@@H]1CCCCN1c1cc(Cl)c2nonc2c1[N+](=O)[O-] ZINC000005477556 277678214 /nfs/dbraw/zinc/67/82/14/277678214.db2.gz NUBZXFRDCXTUAK-SSDOTTSWSA-N 0 0 296.714 3.163 50 5 CGBARN C[C@@H]1CCCN(c2cc(N(C)C)c([N+](=O)[O-])cc2F)C1 ZINC000004300024 278484512 /nfs/dbraw/zinc/48/45/12/278484512.db2.gz YGOFPKSTSOPTPT-SNVBAGLBSA-N 0 0 281.331 3.036 50 5 CGBARN Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=O)c1ccco1 ZINC000004526059 280655023 /nfs/dbraw/zinc/65/50/23/280655023.db2.gz OFXOCDFGVTUWEP-UHFFFAOYSA-N 0 0 280.667 3.402 50 5 CGBARN O=[N+]([O-])c1cccnc1NC1C2CC3CC(C2)CC1C3 ZINC000020052248 566975475 /nfs/dbraw/zinc/97/54/75/566975475.db2.gz QNXUKGBGSJXVSK-UHFFFAOYSA-N 0 0 273.336 3.226 50 5 CGBARN O=C(/C=C/c1ccco1)Nc1cc([N+](=O)[O-])c(F)cc1F ZINC000032901913 624172804 /nfs/dbraw/zinc/17/28/04/624172804.db2.gz XTNCUTRYDAKEEV-ONEGZZNKSA-N 0 0 294.213 3.118 50 5 CGBARN CCn1c2ccc([N+](=O)[O-])cc2nc1-c1cccnc1 ZINC000000218943 368318393 /nfs/dbraw/zinc/31/83/93/368318393.db2.gz SMQHTMFHEROJAG-UHFFFAOYSA-N 0 0 268.276 3.026 50 5 CGBARN Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)nc1 ZINC000000225359 368319388 /nfs/dbraw/zinc/31/93/88/368319388.db2.gz VCQHOYJHMUNVJI-UHFFFAOYSA-N 0 0 291.694 3.204 50 5 CGBARN O=C(Nc1cccc2cccnc21)c1cccc([N+](=O)[O-])c1 ZINC000000033019 368272688 /nfs/dbraw/zinc/27/26/88/368272688.db2.gz IGPIXGIGDVQTEE-UHFFFAOYSA-N 0 0 293.282 3.395 50 5 CGBARN COc1cccc2c1O[C@H](c1ccccc1)C([N+](=O)[O-])=C2 ZINC000000089010 368285378 /nfs/dbraw/zinc/28/53/78/368285378.db2.gz VZZMTGKGLHHYIS-OAHLLOKOSA-N 0 0 283.283 3.447 50 5 CGBARN O=C(NC1CCCCC1)c1ccc([N+](=O)[O-])cc1Cl ZINC000000102107 368289451 /nfs/dbraw/zinc/28/94/51/368289451.db2.gz DVPHWEJWOHYOFA-UHFFFAOYSA-N 0 0 282.727 3.311 50 5 CGBARN Cc1cccc(NC(=O)c2ccccc2[N+](=O)[O-])c1C ZINC000000101894 368289734 /nfs/dbraw/zinc/28/97/34/368289734.db2.gz MEWVERJFVNTIKZ-UHFFFAOYSA-N 0 0 270.288 3.464 50 5 CGBARN O=C(CCNc1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000000446444 368368718 /nfs/dbraw/zinc/36/87/18/368368718.db2.gz AEXQSORQCYRTJF-UHFFFAOYSA-N 0 0 288.278 3.419 50 5 CGBARN C[C@@H](CCc1ccccc1)NC(=O)c1ccccc1[N+](=O)[O-] ZINC000000454760 368369960 /nfs/dbraw/zinc/36/99/60/368369960.db2.gz XICOIGOYGLGAKZ-ZDUSSCGKSA-N 0 0 298.342 3.346 50 5 CGBARN Cc1ccc(C(=O)N2[C@H](C)CCC[C@H]2C)cc1[N+](=O)[O-] ZINC000000272520 368329656 /nfs/dbraw/zinc/32/96/56/368329656.db2.gz WHYBMUHSHMSFGC-VXGBXAGGSA-N 0 0 276.336 3.306 50 5 CGBARN O=C(OCc1ccc([N+](=O)[O-])cc1Cl)c1cccnc1 ZINC000002880665 368484150 /nfs/dbraw/zinc/48/41/50/368484150.db2.gz YWLZELWKCYKPGQ-UHFFFAOYSA-N 0 0 292.678 3.000 50 5 CGBARN Cc1ccc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)c(O)c1 ZINC000003569952 368514361 /nfs/dbraw/zinc/51/43/61/368514361.db2.gz KLYLQZZQWUIMNX-UHFFFAOYSA-N 0 0 286.287 3.170 50 5 CGBARN COc1cc([N+](=O)[O-])ccc1NC(=O)/C=C/c1ccccc1 ZINC000004673344 368556222 /nfs/dbraw/zinc/55/62/22/368556222.db2.gz UMGOEORPARBPSA-JXMROGBWSA-N 0 0 298.298 3.255 50 5 CGBARN O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCCCCCO ZINC000004300292 368542568 /nfs/dbraw/zinc/54/25/68/368542568.db2.gz RYKSPRRYHUUNOH-UHFFFAOYSA-N 0 0 292.257 3.188 50 5 CGBARN O=C1C[C@@H](c2ccc([N+](=O)[O-])cc2)c2sccc2N1 ZINC000012429144 368612824 /nfs/dbraw/zinc/61/28/24/368612824.db2.gz WKXPMRIDOSKGCK-JTQLQIEISA-N 0 0 274.301 3.130 50 5 CGBARN CCC[C@@H](C)NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000012920682 368634814 /nfs/dbraw/zinc/63/48/14/368634814.db2.gz VNTCVTNZNKWQBW-MRVPVSSYSA-N 0 0 270.716 3.167 50 5 CGBARN Cc1ccc(C)c(OCCNc2ncccc2[N+](=O)[O-])c1 ZINC000018247496 368742514 /nfs/dbraw/zinc/74/25/14/368742514.db2.gz AYJFKTROOGYFID-UHFFFAOYSA-N 0 0 287.319 3.098 50 5 CGBARN CN(Cc1ccco1)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000042110188 369201341 /nfs/dbraw/zinc/20/13/41/369201341.db2.gz VYCKLVBXLHFVNM-UHFFFAOYSA-N 0 0 283.287 3.372 50 5 CGBARN O=[N+]([O-])[C@H]1CCCCCCCCCC[C@@H]1[N+](=O)[O-] ZINC000045068428 369274458 /nfs/dbraw/zinc/27/44/58/369274458.db2.gz YNIYBFNGJQELGI-RYUDHWBXSA-N 0 0 258.318 3.192 50 5 CGBARN COc1cccc([C@@H]2CCCN2c2ccc([N+](=O)[O-])cn2)c1 ZINC000054886580 369507832 /nfs/dbraw/zinc/50/78/32/369507832.db2.gz DUGUFKGDHADWBV-HNNXBMFYSA-N 0 0 299.330 3.340 50 5 CGBARN Cn1cnc([N+](=O)[O-])c1NCc1ccc(-c2ccccc2)o1 ZINC000103517437 370330548 /nfs/dbraw/zinc/33/05/48/370330548.db2.gz PJFHGUUXMLGKGW-UHFFFAOYSA-N 0 0 298.302 3.200 50 5 CGBARN Cc1cnccc1NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000134874773 371370120 /nfs/dbraw/zinc/37/01/20/371370120.db2.gz YXHHGLNCVHDRQW-UHFFFAOYSA-N 0 0 291.694 3.204 50 5 CGBARN O=C(Nc1cccc2ncccc21)c1ccc([N+](=O)[O-])cc1 ZINC000007757874 284364209 /nfs/dbraw/zinc/36/42/09/284364209.db2.gz AJYOYSZPMPPVIG-UHFFFAOYSA-N 0 0 293.282 3.395 50 5 CGBARN CN(C)C(=S)Sc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000071772524 541896774 /nfs/dbraw/zinc/89/67/74/541896774.db2.gz QLSTYRRRBBUVBZ-UHFFFAOYSA-N 0 0 299.402 3.143 50 5 CGBARN CCCOc1c(Cl)cc([N+](=O)[O-])cc1OCC ZINC000261494011 190039776 /nfs/dbraw/zinc/03/97/76/190039776.db2.gz NYYBLMQYGVLOQG-UHFFFAOYSA-N 0 0 259.689 3.436 50 5 CGBARN CCO[S@](=O)(=NC(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000238730587 376771362 /nfs/dbraw/zinc/77/13/62/376771362.db2.gz MUWRMYYTSYLBDP-IBGZPJMESA-N 0 0 286.353 3.172 50 5 CGBARN O=C1CSc2ccccc2N1c1ccc([N+](=O)[O-])cc1 ZINC000016768557 284832068 /nfs/dbraw/zinc/83/20/68/284832068.db2.gz GQVHUAGTMHAJGJ-UHFFFAOYSA-N 0 0 286.312 3.365 50 5 CGBARN O=[N+]([O-])c1ccc(-c2noc(-c3ccccc3)n2)cc1 ZINC000000366047 285105644 /nfs/dbraw/zinc/10/56/44/285105644.db2.gz YPBQULUMQROUSN-UHFFFAOYSA-N 0 0 267.244 3.312 50 5 CGBARN O=[N+]([O-])c1ccc(/C=C2\COc3ccccc3[C@@H]2O)cc1 ZINC000004060902 285108477 /nfs/dbraw/zinc/10/84/77/285108477.db2.gz DACYHABIILPYLA-ONOODXEBSA-N 0 0 283.283 3.104 50 5 CGBARN O=c1[nH]c2cc3ccccc3cc2nc1C(F)(F)F ZINC000005889485 285199196 /nfs/dbraw/zinc/19/91/96/285199196.db2.gz FLOKVRACNNBAGH-UHFFFAOYSA-N 0 0 264.206 3.095 50 5 CGBARN O=C(Nc1ccccc1OC(F)F)c1ccc([N+](=O)[O-])o1 ZINC000000557736 169667875 /nfs/dbraw/zinc/66/78/75/169667875.db2.gz WILYKJXNRSBHHG-UHFFFAOYSA-N 0 0 298.201 3.042 50 5 CGBARN C[C@@H](C(=O)Nc1cccc(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000000471313 533335808 /nfs/dbraw/zinc/33/58/08/533335808.db2.gz FNNGRFUHUKRBOP-SNVBAGLBSA-N 0 0 288.278 3.476 50 5 CGBARN O=[N+]([O-])/C(=C/c1ccc2c(c1)OCCO2)c1ccccc1 ZINC000004832891 296495160 /nfs/dbraw/zinc/49/51/60/296495160.db2.gz CBJXXKLHZQQYGV-GXDHUFHOSA-N 0 0 283.283 3.233 50 5 CGBARN O=C(Nc1cccc([N+](=O)[O-])c1)NC1CCCCC1 ZINC000002163936 169778070 /nfs/dbraw/zinc/77/80/70/169778070.db2.gz WLHOZOGVLPQZAR-UHFFFAOYSA-N 0 0 263.297 3.049 50 5 CGBARN O=[N+]([O-])c1ccc(N2CCCC2)cc1NCc1ccco1 ZINC000004104318 169931771 /nfs/dbraw/zinc/93/17/71/169931771.db2.gz XKALFWXLPPPRIT-UHFFFAOYSA-N 0 0 287.319 3.400 50 5 CGBARN C/C=C/C(=O)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000004499388 169973286 /nfs/dbraw/zinc/97/32/86/169973286.db2.gz XETVRORNRRMXLF-NSCUHMNNSA-N 0 0 275.091 3.416 50 5 CGBARN C[C@H]1CCCN(C(=S)c2ccc([N+](=O)[O-])cc2)C1 ZINC000004680609 169998005 /nfs/dbraw/zinc/99/80/05/169998005.db2.gz QSRLXVACMDPTSE-JTQLQIEISA-N 0 0 264.350 3.002 50 5 CGBARN O=[N+]([O-])c1ccc(Cl)cc1NCc1ccccn1 ZINC000004739197 170008298 /nfs/dbraw/zinc/00/82/98/170008298.db2.gz QKIFWDUIUAILIS-UHFFFAOYSA-N 0 0 263.684 3.255 50 5 CGBARN Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1Cl ZINC000005421203 170097872 /nfs/dbraw/zinc/09/78/72/170097872.db2.gz GRDGBWVSVMLKBV-UHFFFAOYSA-N 0 0 276.679 3.061 50 5 in-vitro CGBARN C[C@H]1CCC[C@@H](NC(=O)OCc2ccc([N+](=O)[O-])cc2)C1 ZINC000005676206 170127093 /nfs/dbraw/zinc/12/70/93/170127093.db2.gz YSXYPPBKFNCCQB-WCQYABFASA-N 0 0 292.335 3.400 50 5 CGBARN CCCCCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000006040084 170170789 /nfs/dbraw/zinc/17/07/89/170170789.db2.gz PYQCWWNSEBTMOB-UHFFFAOYSA-N 0 0 250.298 3.422 50 5 CGBARN CNc1ccc(C(=O)NC2CCCCCC2)cc1[N+](=O)[O-] ZINC000008019428 170314251 /nfs/dbraw/zinc/31/42/51/170314251.db2.gz MUHYJCPXLUWAPS-UHFFFAOYSA-N 0 0 291.351 3.089 50 5 CGBARN Cc1nc(SCC(=O)c2ccc([N+](=O)[O-])cc2)oc1C ZINC000008332986 170331878 /nfs/dbraw/zinc/33/18/78/170331878.db2.gz DJIKELOZTCESLH-UHFFFAOYSA-N 0 0 292.316 3.175 50 5 CGBARN CCNc1nnc(SCc2cccc([N+](=O)[O-])c2)s1 ZINC000009377894 170375148 /nfs/dbraw/zinc/37/51/48/170375148.db2.gz IRWVURISWPBBTH-UHFFFAOYSA-N 0 0 296.377 3.170 50 5 CGBARN CSc1ccc(C(=O)N2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000010021214 170395466 /nfs/dbraw/zinc/39/54/66/170395466.db2.gz HCZRFSCQOLRXRQ-JTQLQIEISA-N 0 0 294.376 3.331 50 5 CGBARN Cc1c(NC(=O)CSC(C)(C)C)cccc1[N+](=O)[O-] ZINC000013004065 170527460 /nfs/dbraw/zinc/52/74/60/170527460.db2.gz JMZZLGOPIJTKBT-UHFFFAOYSA-N 0 0 282.365 3.373 50 5 CGBARN COc1ccccc1[C@H](C)Nc1ncccc1[N+](=O)[O-] ZINC000021760402 171321236 /nfs/dbraw/zinc/32/12/36/171321236.db2.gz QORYVYRGYQJWMZ-JTQLQIEISA-N 0 0 273.292 3.172 50 5 CGBARN O=C(/C=C/c1ccsc1)OCc1cccc([N+](=O)[O-])c1 ZINC000022058863 171351791 /nfs/dbraw/zinc/35/17/91/171351791.db2.gz AOQAEXOCITXPKX-SNAWJCMRSA-N 0 0 289.312 3.413 50 5 CGBARN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC1CCCC1 ZINC000022595009 171393864 /nfs/dbraw/zinc/39/38/64/171393864.db2.gz GAPHCKPJFQNGOW-JTQLQIEISA-N 0 0 294.376 3.134 50 5 CGBARN O=C1O[C@H](Nc2ccc(F)cc2[N+](=O)[O-])c2ccccc21 ZINC000040476885 174282611 /nfs/dbraw/zinc/28/26/11/174282611.db2.gz YQYCYTOAAABOMH-ZDUSSCGKSA-N 0 0 288.234 3.015 50 5 CGBARN O=[N+]([O-])c1ccccc1N[C@H](CCO)c1cccs1 ZINC000072293850 176363215 /nfs/dbraw/zinc/36/32/15/176363215.db2.gz KIHCKEGQCJHQLR-LLVKDONJSA-N 0 0 278.333 3.192 50 5 CGBARN O=C(OCc1ccccc1[N+](=O)[O-])c1cc2ccccc2[nH]1 ZINC000005492316 261067518 /nfs/dbraw/zinc/06/75/18/261067518.db2.gz SPRLVXNSIUCKGF-UHFFFAOYSA-N 0 0 296.282 3.433 50 5 CGBARN C[C@@]1([N+](=O)[O-])c2ccccc2-c2ccc([N+](=O)[O-])cc21 ZINC000003132302 279174884 /nfs/dbraw/zinc/17/48/84/279174884.db2.gz XLUGBGFQBCHCLL-CQSZACIVSA-N 0 0 270.244 3.115 50 5 CGBARN Cn1c2ccc(F)cc2c2nc3ccccc3nc21 ZINC000000530930 279317368 /nfs/dbraw/zinc/31/73/68/279317368.db2.gz LGWYSDDBRZPJIX-UHFFFAOYSA-N 0 0 251.264 3.414 50 5 CGBARN O=C(c1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]2CCCC[C@H]21 ZINC000001020913 280190696 /nfs/dbraw/zinc/19/06/96/280190696.db2.gz UIFLHGMKOCKTAP-SWLSCSKDSA-N 0 0 288.347 3.390 50 5 CGBARN O=[N+]([O-])c1ccc(N[C@H]2[C@@H]3CCCC[C@@H]32)c(F)c1 ZINC000252670904 280369273 /nfs/dbraw/zinc/36/92/73/280369273.db2.gz LZZRYCACMDIUSE-IWIIMEHWSA-N 0 0 250.273 3.334 50 5 CGBARN Cc1ccc(C(=O)Nc2cc([N+](=O)[O-])c(F)cc2F)cc1 ZINC000013005331 280787865 /nfs/dbraw/zinc/78/78/65/280787865.db2.gz PQLLTOFVTPEFHV-UHFFFAOYSA-N 0 0 292.241 3.434 50 5 CGBARN Cc1ccc2c(c1)[nH]c(=O)cc2-c1ccc([N+](=O)[O-])cc1 ZINC000005009410 281128896 /nfs/dbraw/zinc/12/88/96/281128896.db2.gz AIPRYILPOZTXBV-UHFFFAOYSA-N 0 0 280.283 3.412 50 5 CGBARN O=C1Nc2ccccc2[C@@H]1CCNc1ccccc1[N+](=O)[O-] ZINC000103101322 534804293 /nfs/dbraw/zinc/80/42/93/534804293.db2.gz LOEYJBJAUITSRU-LBPRGKRZSA-N 0 0 297.314 3.133 50 5 CGBARN CCOc1ccc(/C=C\[N+](=O)[O-])cc1Br ZINC000208528004 567112299 /nfs/dbraw/zinc/11/22/99/567112299.db2.gz ATXCHGLGNCYZAE-WAYWQWQTSA-N 0 0 272.098 3.095 50 5 CGBARN Cc1ccc(/C=C2\c3ccccc3N(C)C2=O)cc1[N+](=O)[O-] ZINC000096669512 640835269 /nfs/dbraw/zinc/83/52/69/640835269.db2.gz ZSXAKABVIFBTKU-NTEUORMPSA-N 0 0 294.310 3.420 50 5 CGBARN O=C(c1ccc([N+](=O)[O-])cc1)c1ccnc2ccccc21 ZINC000083311518 178379993 /nfs/dbraw/zinc/37/99/93/178379993.db2.gz ZPRHDOQKNKFPQS-UHFFFAOYSA-N 0 0 278.267 3.374 50 5 CGBARN Cc1cnc(Oc2cccc(-n3ccnc3)c2)c([N+](=O)[O-])c1 ZINC000078665456 345618485 /nfs/dbraw/zinc/61/84/85/345618485.db2.gz DHKMLZQICNBGOD-UHFFFAOYSA-N 0 0 296.286 3.276 50 5 CGBARN O=C(Nc1cccc([N+](=O)[O-])c1)[C@H]1C[C@@H]1c1ccccc1 ZINC000000234749 368319788 /nfs/dbraw/zinc/31/97/88/368319788.db2.gz UJHYOMVTFAFFGU-CABCVRRESA-N 0 0 282.299 3.337 50 5 CGBARN Cc1ncc([N+](=O)[O-])n1Cc1ccc(Cl)cc1Cl ZINC000000034964 368273654 /nfs/dbraw/zinc/27/36/54/368273654.db2.gz KSGGFVJARIYNOO-UHFFFAOYSA-N 0 0 286.118 3.455 50 5 CGBARN CCOc1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000000103172 368290866 /nfs/dbraw/zinc/29/08/66/368290866.db2.gz VOXNCKLXCVHBAK-UHFFFAOYSA-N 0 0 286.287 3.246 50 5 CGBARN O=C(Nc1nc2ccccc2s1)c1cccc([N+](=O)[O-])c1 ZINC000000103260 368290880 /nfs/dbraw/zinc/29/08/80/368290880.db2.gz FLEGWDNQYJYYOD-UHFFFAOYSA-N 0 0 299.311 3.457 50 5 CGBARN Cc1ccc(C(=O)N2CCc3ccccc32)cc1[N+](=O)[O-] ZINC000000183266 368310172 /nfs/dbraw/zinc/31/01/72/368310172.db2.gz PBEXVKFTCRVCMA-UHFFFAOYSA-N 0 0 282.299 3.106 50 5 CGBARN C[C@H](NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000000438099 368366719 /nfs/dbraw/zinc/36/67/19/368366719.db2.gz VJDGIYDEJYVACD-SRXBQZRASA-N 0 0 296.326 3.485 50 5 CGBARN Cc1c(C(=O)N[C@@H](C)c2ccccc2)cccc1[N+](=O)[O-] ZINC000000272433 368329363 /nfs/dbraw/zinc/32/93/63/368329363.db2.gz LXAUECYPDAPKHI-LBPRGKRZSA-N 0 0 284.315 3.394 50 5 CGBARN Cc1ccc(C(=O)c2ccc([N+](=O)[O-])cc2)cc1C ZINC000000283718 368331988 /nfs/dbraw/zinc/33/19/88/368331988.db2.gz ACLYFHWRGOCAHN-UHFFFAOYSA-N 0 0 255.273 3.443 50 5 CGBARN O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc(F)cc1 ZINC000000290668 368332909 /nfs/dbraw/zinc/33/29/09/368332909.db2.gz ZRAHJSNRTQCTBP-RUDMXATFSA-N 0 0 286.262 3.386 50 5 CGBARN C[C@@H]1CCCCN1C(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000000463536 368372227 /nfs/dbraw/zinc/37/22/27/368372227.db2.gz RXODCDXITBQPQH-BZYZDCJZSA-N 0 0 274.320 3.009 50 5 CGBARN CCC(C)(C)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000000372625 368351396 /nfs/dbraw/zinc/35/13/96/368351396.db2.gz MSDIADYULFGIKU-UHFFFAOYSA-N 0 0 250.298 3.278 50 5 CGBARN Cc1ccccc1C(=O)N(C)c1cccc([N+](=O)[O-])c1 ZINC000000467366 368372922 /nfs/dbraw/zinc/37/29/22/368372922.db2.gz JRPMWBMANQQBHD-UHFFFAOYSA-N 0 0 270.288 3.180 50 5 CGBARN O=C(Nc1cccc(O)c1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000436583 368365337 /nfs/dbraw/zinc/36/53/37/368365337.db2.gz VPAQNRRSTOJURQ-UHFFFAOYSA-N 0 0 292.678 3.206 50 5 CGBARN CCn1c(C)nc([N+](=O)[O-])c1Sc1ccccc1 ZINC000000481350 368376811 /nfs/dbraw/zinc/37/68/11/368376811.db2.gz FHHZIANRFJYJEN-UHFFFAOYSA-N 0 0 263.322 3.271 50 5 CGBARN Cc1ccc(NC(=O)Nc2ccccc2CC[N+](=O)[O-])cc1 ZINC000001403014 368411064 /nfs/dbraw/zinc/41/10/64/368411064.db2.gz GIANPWPOHJUDAJ-UHFFFAOYSA-N 0 0 299.330 3.458 50 5 CGBARN Cc1ccc(NC(=O)OCc2ccco2)cc1[N+](=O)[O-] ZINC000002173806 368448773 /nfs/dbraw/zinc/44/87/73/368448773.db2.gz AABGJXMHALNPBD-UHFFFAOYSA-N 0 0 276.248 3.245 50 5 CGBARN CCCCN(CC)C(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000002739487 368474355 /nfs/dbraw/zinc/47/43/55/368474355.db2.gz UIKVXLLJGBODIO-UHFFFAOYSA-N 0 0 264.325 3.165 50 5 CGBARN Cc1ccccc1-c1cnn(-c2cccc([N+](=O)[O-])c2)c1N ZINC000002508456 368457695 /nfs/dbraw/zinc/45/76/95/368457695.db2.gz XKYCIXVYRYVXPE-UHFFFAOYSA-N 0 0 294.314 3.338 50 5 CGBARN Cc1cc(C(=O)Nc2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC000002779518 368478558 /nfs/dbraw/zinc/47/85/58/368478558.db2.gz VIZRYVSGCXTWIK-UHFFFAOYSA-N 0 0 274.251 3.295 50 5 CGBARN O=C(Nc1ccccc1O)c1cc([N+](=O)[O-])ccc1Cl ZINC000003173879 368495440 /nfs/dbraw/zinc/49/54/40/368495440.db2.gz HTQVWBZQPVLATM-UHFFFAOYSA-N 0 0 292.678 3.206 50 5 CGBARN O=[N+]([O-])c1ccc(NC(=S)NC2CCCCC2)cc1 ZINC000004685189 368557448 /nfs/dbraw/zinc/55/74/48/368557448.db2.gz IZEBRODLZJJASN-UHFFFAOYSA-N 0 0 279.365 3.214 50 5 CGBARN O=C(O[C@H]1CCc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000010449171 368581836 /nfs/dbraw/zinc/58/18/36/368581836.db2.gz BXPVVAJCDGFHFR-HNNXBMFYSA-N 0 0 283.283 3.439 50 5 CGBARN Cc1cc([C@@H]2CCCN2Cc2ccccc2[N+](=O)[O-])no1 ZINC000023053711 368815521 /nfs/dbraw/zinc/81/55/21/368815521.db2.gz XCPCXVDTWPNTBJ-HNNXBMFYSA-N 0 0 287.319 3.228 50 5 CGBARN Cc1ccc(NC(=O)OCC(F)(F)F)cc1[N+](=O)[O-] ZINC000032628889 368939736 /nfs/dbraw/zinc/93/97/36/368939736.db2.gz VXLCTEVJRXVGFO-UHFFFAOYSA-N 0 0 278.186 3.014 50 5 CGBARN Cc1cc(SCc2cccc([N+](=O)[O-])c2)nc(C)n1 ZINC000032782497 368945886 /nfs/dbraw/zinc/94/58/86/368945886.db2.gz PBMTXVHMDCCOSK-UHFFFAOYSA-N 0 0 275.333 3.294 50 5 CGBARN CC(C)[C@@H]1CCCN1c1ccc(F)cc1[N+](=O)[O-] ZINC000075124057 369895232 /nfs/dbraw/zinc/89/52/32/369895232.db2.gz MIDXKVNJLCJYID-NSHDSACASA-N 0 0 252.289 3.359 50 5 CGBARN CC(C)[C@@H](CCO)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000078903489 369954995 /nfs/dbraw/zinc/95/49/95/369954995.db2.gz JXWQFJQZMXQHLI-SNVBAGLBSA-N 0 0 272.732 3.067 50 5 CGBARN C[C@@H]1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000102589327 370305517 /nfs/dbraw/zinc/30/55/17/370305517.db2.gz YNVAQOXIURTABG-SUNKGSAMSA-N 0 0 276.336 3.149 50 5 CGBARN O=[N+]([O-])c1cccc(CN2CCCC[C@@H]2c2cn[nH]c2)c1 ZINC000114484597 370502608 /nfs/dbraw/zinc/50/26/08/370502608.db2.gz KCLBWQWKTCIONV-OAHLLOKOSA-N 0 0 286.335 3.045 50 5 CGBARN O=[N+]([O-])c1ccc(/C=C\c2ccc(O)c(F)c2)nc1 ZINC000221681256 376218946 /nfs/dbraw/zinc/21/89/46/376218946.db2.gz FSKRRROYRVQPLZ-IWQZZHSRSA-N 0 0 260.224 3.005 50 5 CGBARN Cc1cc(Oc2ccc([N+](=O)[O-])cc2)nc(C2CC2)n1 ZINC000264612304 190123041 /nfs/dbraw/zinc/12/30/41/190123041.db2.gz FYRWWBNZHUBIBZ-UHFFFAOYSA-N 0 0 271.276 3.363 50 5 CGBARN C[C@H]1CN(c2ccc(C(F)F)cc2[N+](=O)[O-])CCCO1 ZINC000408518399 380015624 /nfs/dbraw/zinc/01/56/24/380015624.db2.gz FSFFOJGZNBYOHM-VIFPVBQESA-N 0 0 286.278 3.148 50 5 CGBARN O=Cc1ccc(SCc2ccco2)c([N+](=O)[O-])c1 ZINC000000160630 169558334 /nfs/dbraw/zinc/55/83/34/169558334.db2.gz XJZUTZDAIMVSAR-UHFFFAOYSA-N 0 0 263.274 3.293 50 5 CGBARN O=[N+]([O-])c1cc([N+](=O)[O-])c2ccccc2c1Cl ZINC000002038655 285097615 /nfs/dbraw/zinc/09/76/15/285097615.db2.gz SKKUAUZTZZRYPW-UHFFFAOYSA-N 0 0 252.613 3.310 50 5 CGBARN CCN(CC)C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000001392847 169699911 /nfs/dbraw/zinc/69/99/11/169699911.db2.gz BKNRUOIDCTYJOB-UHFFFAOYSA-N 0 0 278.333 3.292 50 5 CGBARN COc1ccc([C@H]2Oc3ccccc3C[C@@H]2[N+](=O)[O-])cc1 ZINC000252618425 393124380 /nfs/dbraw/zinc/12/43/80/393124380.db2.gz LGGXIMSJUQRDQF-GOEBONIOSA-N 0 0 285.299 3.017 50 5 CGBARN O=[N+]([O-])c1ccc2c(c1)N[C@H]1c3cc([N+](=O)[O-])ccc3C[C@@H]21 ZINC000005799558 296509338 /nfs/dbraw/zinc/50/93/38/296509338.db2.gz CSBPWFAEXFRRRG-ZFWWWQNUSA-N 0 0 297.270 3.310 50 5 CGBARN O=[N+]([O-])c1cccc(C(F)(F)F)c1Br ZINC000016159340 296510412 /nfs/dbraw/zinc/51/04/12/296510412.db2.gz DCGZVTANWJKOPM-UHFFFAOYSA-N 0 0 270.004 3.376 50 5 CGBARN Cc1nn(-c2cccc([N+](=O)[O-])c2)c(N)c1-c1ccccc1 ZINC000002508487 169797012 /nfs/dbraw/zinc/79/70/12/169797012.db2.gz WLSCINFGJHRCIU-UHFFFAOYSA-N 0 0 294.314 3.338 50 5 CGBARN O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1ccccc1 ZINC000002653921 169818854 /nfs/dbraw/zinc/81/88/54/169818854.db2.gz NPZULYLIYRYMAS-UHFFFAOYSA-N 0 0 288.328 3.326 50 5 CGBARN Cc1ccc(CNC(=O)/C=C/c2ccccc2[N+](=O)[O-])cc1 ZINC000003554512 169896595 /nfs/dbraw/zinc/89/65/95/169896595.db2.gz BHRBRUPATWLSPK-ZHACJKMWSA-N 0 0 296.326 3.233 50 5 CGBARN O=[N+]([O-])c1ccc(N2CCc3ccccc32)cc1[N+](=O)[O-] ZINC000003878526 169919023 /nfs/dbraw/zinc/91/90/23/169919023.db2.gz GBSPRNQQSHQXTR-UHFFFAOYSA-N 0 0 285.259 3.197 50 5 CGBARN O=[N+]([O-])c1ccc(Cl)c(-c2ccc(CO)o2)c1 ZINC000004290831 169954032 /nfs/dbraw/zinc/95/40/32/169954032.db2.gz DJYBORSKJQQRIJ-UHFFFAOYSA-N 0 0 253.641 3.001 50 5 CGBARN O=C(c1ccc([N+](=O)[O-])cc1)N1CC[C@H](c2ccccc2)C1 ZINC000004761555 170013490 /nfs/dbraw/zinc/01/34/90/170013490.db2.gz IAICSBIOISXTJK-HNNXBMFYSA-N 0 0 296.326 3.225 50 5 CGBARN O=[N+]([O-])c1nn(Cc2ccc(F)cc2Cl)cc1Cl ZINC000004840426 170027786 /nfs/dbraw/zinc/02/77/86/170027786.db2.gz OVMKNDVVMLWXNH-UHFFFAOYSA-N 0 0 290.081 3.286 50 5 CGBARN O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCCCCC1 ZINC000005060746 170062032 /nfs/dbraw/zinc/06/20/32/170062032.db2.gz YYOHHSLXMDWRGO-UHFFFAOYSA-N 0 0 263.297 3.003 50 5 CGBARN COC(=O)Oc1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000005669593 170125985 /nfs/dbraw/zinc/12/59/85/170125985.db2.gz DRNPBJRFJLBSPE-UHFFFAOYSA-N 0 0 266.036 3.047 50 5 CGBARN O=[N+]([O-])c1cc(Cl)ccc1NCCc1ccccn1 ZINC000005701189 170131040 /nfs/dbraw/zinc/13/10/40/170131040.db2.gz DZJUZYHLDKWARS-UHFFFAOYSA-N 0 0 277.711 3.298 50 5 CGBARN Cc1ccc(/C=C/C(=O)Nc2ccc(C)cc2[N+](=O)[O-])o1 ZINC000006272362 170187582 /nfs/dbraw/zinc/18/75/82/170187582.db2.gz DSXNOFZDVNXOTE-SOFGYWHQSA-N 0 0 286.287 3.457 50 5 CGBARN CCCCNC(=O)CS[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000007132982 170268326 /nfs/dbraw/zinc/26/83/26/170268326.db2.gz DICPLZFKBRWLST-LLVKDONJSA-N 0 0 296.392 3.305 50 5 CGBARN O=[N+]([O-])c1ccccc1Oc1ncnc2sccc21 ZINC000007779615 170301995 /nfs/dbraw/zinc/30/19/95/170301995.db2.gz OLGYNTMOXQYEDE-UHFFFAOYSA-N 0 0 273.273 3.392 50 5 CGBARN Cn1cnc([N+](=O)[O-])c1Oc1ccc(Cl)c(Cl)c1 ZINC000008308885 170330330 /nfs/dbraw/zinc/33/03/30/170330330.db2.gz RRVXRHQLVWRXHF-UHFFFAOYSA-N 0 0 288.090 3.427 50 5 CGBARN Cc1cccc(Sc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])n1 ZINC000008685277 170345399 /nfs/dbraw/zinc/34/53/99/170345399.db2.gz QPLTUQUVCORCAE-UHFFFAOYSA-N 0 0 291.288 3.358 50 5 CGBARN Cc1ccc(C(=O)N2c3ccccc3C[C@H]2C)cc1[N+](=O)[O-] ZINC000009355780 170373543 /nfs/dbraw/zinc/37/35/43/170373543.db2.gz KPBPZKMOYYEVLT-GFCCVEGCSA-N 0 0 296.326 3.495 50 5 CGBARN CCCNc1ccc(-c2nc(CC)no2)cc1[N+](=O)[O-] ZINC000020897972 171278576 /nfs/dbraw/zinc/27/85/76/171278576.db2.gz AFHUPQYDMFJNFR-UHFFFAOYSA-N 0 0 276.296 3.029 50 5 CGBARN COc1ccccc1[C@@H](C)Nc1ncccc1[N+](=O)[O-] ZINC000021760400 171321192 /nfs/dbraw/zinc/32/11/92/171321192.db2.gz QORYVYRGYQJWMZ-SNVBAGLBSA-N 0 0 273.292 3.172 50 5 CGBARN O=C(Oc1cccc([N+](=O)[O-])c1)[C@H]1C[C@@H]1c1ccccc1 ZINC000022016082 171349811 /nfs/dbraw/zinc/34/98/11/171349811.db2.gz FFVUCQIKJLGTJL-CABCVRRESA-N 0 0 283.283 3.304 50 5 CGBARN CN(Cc1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cn1 ZINC000022805098 171399467 /nfs/dbraw/zinc/39/94/67/171399467.db2.gz GRGAHIWWQSPDSV-UHFFFAOYSA-N 0 0 277.711 3.280 50 5 CGBARN CN(C(=O)Nc1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000040474168 174282355 /nfs/dbraw/zinc/28/23/55/174282355.db2.gz PWHBDEHDAWLQCF-UHFFFAOYSA-N 0 0 263.297 3.001 50 5 CGBARN O=C(Nc1ccc(Cl)nc1)c1ccc([N+](=O)[O-])cc1F ZINC000071803698 176266481 /nfs/dbraw/zinc/26/64/81/176266481.db2.gz ZTZJDQCQYFBGKR-UHFFFAOYSA-N 0 0 295.657 3.035 50 5 CGBARN CC(C)n1[nH]c(=O)c2cc3oc4cc(O)ccc4c3nc21 ZINC000079493313 276088325 /nfs/dbraw/zinc/08/83/25/276088325.db2.gz ABLPIBNXMVLYGX-UHFFFAOYSA-N 0 0 283.287 3.323 50 5 CGBARN CCOC(=O)c1cc2c(nc1C)oc1ccc(C)cc1c2=O ZINC000001390934 276297764 /nfs/dbraw/zinc/29/77/64/276297764.db2.gz MQIKOXHYAYTALU-UHFFFAOYSA-N 0 0 297.310 3.135 50 5 CGBARN CCN(CC)c1c2ccccc2sc(=O)c1[N+](=O)[O-] ZINC000004256157 276341227 /nfs/dbraw/zinc/34/12/27/276341227.db2.gz ITMVIGBXFFFSLQ-UHFFFAOYSA-N 0 0 278.333 3.016 50 5 CGBARN CCOc1c(Br)cc(Cl)cc1[N+](=O)[O-] ZINC000261494439 276491629 /nfs/dbraw/zinc/49/16/29/276491629.db2.gz XQLKARHZJXAXAO-UHFFFAOYSA-N 0 0 280.505 3.409 50 5 CGBARN CC[C@@H](C)Nc1c([N+](=O)[O-])cc(C)cc1[N+](=O)[O-] ZINC000004054657 276521827 /nfs/dbraw/zinc/52/18/27/276521827.db2.gz FRTZHUYOLKQDSU-MRVPVSSYSA-N 0 0 253.258 3.022 50 5 CGBARN C[C@@H]1C[C@H](C)CN(c2ccc([N+](=O)[O-])c(Cl)n2)C1 ZINC000220971884 278003924 /nfs/dbraw/zinc/00/39/24/278003924.db2.gz BKGPWAZBSWBYPL-DTORHVGOSA-N 0 0 269.732 3.126 50 5 CGBARN O=[N+]([O-])c1c(Br)ccc(F)c1Br ZINC000263623924 280353112 /nfs/dbraw/zinc/35/31/12/280353112.db2.gz LWECUIFYNBUYRB-UHFFFAOYSA-N 0 0 298.893 3.259 50 5 CGBARN O=[N+]([O-])c1cccc(Br)c1Br ZINC000038880339 280371852 /nfs/dbraw/zinc/37/18/52/280371852.db2.gz LPOQWSWPRAGSBK-UHFFFAOYSA-N 0 0 280.903 3.120 50 5 CGBARN Cc1ccc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1C ZINC000003188558 280862048 /nfs/dbraw/zinc/86/20/48/280862048.db2.gz IBZHIYQZKQRRGS-UHFFFAOYSA-N 0 0 296.282 3.012 50 5 CGBARN Cc1cccc2c(=O)oc(-c3cccc([N+](=O)[O-])c3)nc12 ZINC000000138780 281265392 /nfs/dbraw/zinc/26/53/92/281265392.db2.gz XXNMMBXJUQVVOM-UHFFFAOYSA-N 0 0 282.255 3.072 50 5 CGBARN Cc1ccccc1NC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000006339171 281352159 /nfs/dbraw/zinc/35/21/59/281352159.db2.gz SUVLTRSTXHDWGD-UHFFFAOYSA-N 0 0 270.288 3.464 50 5 CGBARN CN1c2ccc([N+](=O)[O-])cc2N(C)[C@]1(C)c1ccccc1 ZINC000004793606 290318827 /nfs/dbraw/zinc/31/88/27/290318827.db2.gz OWUUZSMCTWKDQE-MRXNPFEDSA-N 0 0 283.331 3.354 50 5 CGBARN Cn1nccc1[C@@H]1CCCCN1c1ccccc1[N+](=O)[O-] ZINC000253426759 303073711 /nfs/dbraw/zinc/07/37/11/303073711.db2.gz WQNQSHBZWVQIAY-ZDUSSCGKSA-N 0 0 286.335 3.060 50 5 CGBARN Nc1cccc2c1CCCN2Cc1ccccc1[N+](=O)[O-] ZINC000037906203 303501228 /nfs/dbraw/zinc/50/12/28/303501228.db2.gz UTAVCIOTMGOZPH-UHFFFAOYSA-N 0 0 283.331 3.130 50 5 CGBARN Cc1cc(C)nc(NC(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000000610521 326792609 /nfs/dbraw/zinc/79/26/09/326792609.db2.gz AWTCGNGGPJQEDB-UHFFFAOYSA-N 0 0 286.291 3.251 50 5 CGBARN CCOP(Cc1ccc([N+](=O)[O-])cc1)OCC ZINC000043214633 328754261 /nfs/dbraw/zinc/75/42/61/328754261.db2.gz LMUUVTXUYUZHOQ-UHFFFAOYSA-N 0 0 257.226 3.480 50 5 CGBARN Cc1occc1CN(C)C(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000055474320 526821920 /nfs/dbraw/zinc/82/19/20/526821920.db2.gz HBEQHBXUBHQCFG-UHFFFAOYSA-N 0 0 288.303 3.077 50 5 CGBARN COC(=O)c1cc([N+](=O)[O-])cnc1/C=C\c1ccc(C)cc1 ZINC000097161576 618212252 /nfs/dbraw/zinc/21/22/52/618212252.db2.gz MJLVKVYUMSUCCC-FPLPWBNLSA-N 0 0 298.298 3.255 50 5 CGBARN CC/C=C\CCOC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000222037447 622817833 /nfs/dbraw/zinc/81/78/33/622817833.db2.gz LXTWESRJXYKTCU-ARJAWSKDSA-N 0 0 264.281 3.500 50 5 CGBARN Cc1cc(C)c([N+](=O)[O-])c(S(=O)(=O)c2ccccc2)c1 ZINC000000117244 368294111 /nfs/dbraw/zinc/29/41/11/368294111.db2.gz YKDOWYPHXDELLS-UHFFFAOYSA-N 0 0 291.328 3.044 50 5 CGBARN Cc1cccn2cc(COc3cccc([N+](=O)[O-])c3)nc12 ZINC000000125931 368295594 /nfs/dbraw/zinc/29/55/94/368295594.db2.gz CPOAKCPFMSPSNA-UHFFFAOYSA-N 0 0 283.287 3.130 50 5 CGBARN Cc1ccc(/C=C/C(=O)Nc2cccc([N+](=O)[O-])c2)o1 ZINC000000443197 368367790 /nfs/dbraw/zinc/36/77/90/368367790.db2.gz ZRVBTVWLOXMDMP-BQYQJAHWSA-N 0 0 272.260 3.148 50 5 CGBARN Cc1ccc(OC(=O)c2cccc([N+](=O)[O-])c2)cc1C ZINC000000281549 368332103 /nfs/dbraw/zinc/33/21/03/368332103.db2.gz RFVZGJLLTCRICK-UHFFFAOYSA-N 0 0 271.272 3.431 50 5 CGBARN O=C(OCc1ccc([N+](=O)[O-])cc1)c1c(F)cccc1F ZINC000000460144 368372053 /nfs/dbraw/zinc/37/20/53/368372053.db2.gz GOABLZATCVYTHT-UHFFFAOYSA-N 0 0 293.225 3.230 50 5 CGBARN O=[N+]([O-])c1cnn(Cc2ccc(Cl)cc2Cl)c1 ZINC000000975956 368398956 /nfs/dbraw/zinc/39/89/56/368398956.db2.gz KUBADIKEHIPJFX-UHFFFAOYSA-N 0 0 272.091 3.146 50 5 CGBARN CC1CCN(C(=S)c2cccc([N+](=O)[O-])c2)CC1 ZINC000000617831 368392709 /nfs/dbraw/zinc/39/27/09/368392709.db2.gz CKZQEUISGHAMAO-UHFFFAOYSA-N 0 0 264.350 3.002 50 5 CGBARN CCCCCNC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000002058258 368445985 /nfs/dbraw/zinc/44/59/85/368445985.db2.gz CIJSFYULJNUCES-UHFFFAOYSA-N 0 0 270.716 3.168 50 5 CGBARN Cc1ccnc(NC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c1 ZINC000001741730 368436802 /nfs/dbraw/zinc/43/68/02/368436802.db2.gz RTSIWELLXQUHDM-UHFFFAOYSA-N 0 0 290.254 3.081 50 5 CGBARN CCCCN(CC)C(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000002739556 368473529 /nfs/dbraw/zinc/47/35/29/368473529.db2.gz RYSLJVPKHFHCCH-MDZDMXLPSA-N 0 0 276.336 3.257 50 5 CGBARN Cc1ccc(COc2ncnc3cc([N+](=O)[O-])ccc32)cc1 ZINC000003300001 368502212 /nfs/dbraw/zinc/50/22/12/368502212.db2.gz NWRFCJKDFIXXMQ-UHFFFAOYSA-N 0 0 295.298 3.425 50 5 CGBARN O=C(OCc1ccc(Cl)cc1)c1ccc([N+](=O)[O-])o1 ZINC000003363320 368503709 /nfs/dbraw/zinc/50/37/09/368503709.db2.gz IEUWNEYLXGTWPC-UHFFFAOYSA-N 0 0 281.651 3.198 50 5 CGBARN Cc1csc(SCC(=O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000002870520 368482718 /nfs/dbraw/zinc/48/27/18/368482718.db2.gz NWYAFMPLVCHNAK-UHFFFAOYSA-N 0 0 294.357 3.335 50 5 CGBARN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCCC1 ZINC000004004799 368525828 /nfs/dbraw/zinc/52/58/28/368525828.db2.gz UHQZHRWBRICNEH-UHFFFAOYSA-N 0 0 260.215 3.214 50 5 CGBARN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1O ZINC000004578238 368552158 /nfs/dbraw/zinc/55/21/58/368552158.db2.gz CTISUNSASAUMMA-UHFFFAOYSA-N 0 0 292.678 3.206 50 5 CGBARN Cc1ccc(NC(=O)C(Cl)(Cl)Cl)c([N+](=O)[O-])c1 ZINC000004462458 368545723 /nfs/dbraw/zinc/54/57/23/368545723.db2.gz VJACBXQFZVYQME-UHFFFAOYSA-N 0 0 297.525 3.212 50 5 CGBARN O=C(/C=C/c1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000004416215 368546389 /nfs/dbraw/zinc/54/63/89/368546389.db2.gz YDJUEIUOYJLVFY-ZHACJKMWSA-N 0 0 268.272 3.247 50 5 CGBARN O=C(Nc1ccc([N+](=O)[O-])cc1)Nc1ccccc1F ZINC000004539188 368549539 /nfs/dbraw/zinc/54/95/39/368549539.db2.gz ZDBQMRLVFFWGOL-UHFFFAOYSA-N 0 0 275.239 3.378 50 5 CGBARN O=C(Nc1ccc(OC(F)F)cc1)c1ccc([N+](=O)[O-])o1 ZINC000012749292 368625791 /nfs/dbraw/zinc/62/57/91/368625791.db2.gz DXFBDQBNPIUMMM-UHFFFAOYSA-N 0 0 298.201 3.042 50 5 CGBARN CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H](C)C2)c1 ZINC000016642510 368719062 /nfs/dbraw/zinc/71/90/62/368719062.db2.gz DYAYVIZJIWYAGH-JTQLQIEISA-N 0 0 294.376 3.189 50 5 CGBARN Cc1occc1C(=O)N(C)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000024981014 368838728 /nfs/dbraw/zinc/83/87/28/368838728.db2.gz SQPQIHGQEFLXDN-JTQLQIEISA-N 0 0 288.303 3.329 50 5 CGBARN Cc1ccc(-c2cnnn2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000026504997 368861284 /nfs/dbraw/zinc/86/12/84/368861284.db2.gz JGYLXQRUTDQBKM-UHFFFAOYSA-N 0 0 280.287 3.151 50 5 CGBARN O=[N+]([O-])c1cn(Cc2cc3ccccc3nc2Cl)cn1 ZINC000025451646 368847683 /nfs/dbraw/zinc/84/76/83/368847683.db2.gz BPANOXFSNWTBIQ-UHFFFAOYSA-N 0 0 288.694 3.041 50 5 CGBARN CCOC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)cc1 ZINC000034529356 368975597 /nfs/dbraw/zinc/97/55/97/368975597.db2.gz WCZWAMAIMGEQNT-UHFFFAOYSA-N 0 0 271.272 3.439 50 5 CGBARN Cc1c(NC(=O)NCc2ccccc2)cccc1[N+](=O)[O-] ZINC000032841334 368948138 /nfs/dbraw/zinc/94/81/38/368948138.db2.gz JDUBZNNNBCYAAY-UHFFFAOYSA-N 0 0 285.303 3.225 50 5 CGBARN Cc1cc(C)nc(SCc2cccc([N+](=O)[O-])c2)n1 ZINC000039371038 369150977 /nfs/dbraw/zinc/15/09/77/369150977.db2.gz MYJNZXVJCQNOTF-UHFFFAOYSA-N 0 0 275.333 3.294 50 5 CGBARN CCn1ccnc1CNc1ccc(Cl)cc1[N+](=O)[O-] ZINC000051921971 369458728 /nfs/dbraw/zinc/45/87/28/369458728.db2.gz KFSVUDJNTQGRFF-UHFFFAOYSA-N 0 0 280.715 3.077 50 5 CGBARN O=C(c1ccc(F)c([N+](=O)[O-])c1)N(C1CC1)C1CCCC1 ZINC000065621098 369685219 /nfs/dbraw/zinc/68/52/19/369685219.db2.gz AWUNBFHBZZECHM-UHFFFAOYSA-N 0 0 292.310 3.281 50 5 CGBARN NC(=O)c1ccc(CSc2cccs2)c([N+](=O)[O-])c1 ZINC000075140383 369896834 /nfs/dbraw/zinc/89/68/34/369896834.db2.gz CWSZCMVNNKEIQN-UHFFFAOYSA-N 0 0 294.357 3.048 50 5 CGBARN COc1ccc(CNc2ccc3n[nH]cc3c2)cc1[N+](=O)[O-] ZINC000095440151 370193680 /nfs/dbraw/zinc/19/36/80/370193680.db2.gz MOJVRAKHBNHSPR-UHFFFAOYSA-N 0 0 298.302 3.092 50 5 CGBARN C[C@@H]1N=C(c2ccccc2)[C@@H]2[C@H](c3ccc([N+](=O)[O-])cc3)N21 ZINC000096124710 370204719 /nfs/dbraw/zinc/20/47/19/370204719.db2.gz ISUZSEZPBMLKRZ-VWCGYFCVSA-N 0 0 293.326 3.169 50 5 CGBARN Cc1ccc(NC=C2C(=O)Nc3ccccc32)c([N+](=O)[O-])c1 ZINC000101349978 370287971 /nfs/dbraw/zinc/28/79/71/370287971.db2.gz XCVFNIRZPOAXBQ-XFXZXTDPSA-N 0 0 295.298 3.308 50 5 CGBARN Cc1c(CSC2CCOCC2)cccc1[N+](=O)[O-] ZINC000131158134 371087304 /nfs/dbraw/zinc/08/73/04/371087304.db2.gz HCCYXIQWUVKHOV-UHFFFAOYSA-N 0 0 267.350 3.315 50 5 CGBARN O=c1cc(-c2ccccc2)[nH]c2[nH]c(=O)c3ccccc3c12 ZINC000084559965 541933388 /nfs/dbraw/zinc/93/33/88/541933388.db2.gz GXKDDUACVUOABA-UHFFFAOYSA-N 0 0 288.306 3.037 50 5 CGBARN O=[N+]([O-])c1cc(NCc2ccccc2)cc([N+](=O)[O-])c1 ZINC000261493762 190039705 /nfs/dbraw/zinc/03/97/05/190039705.db2.gz ITVPWFRQGZMPTI-UHFFFAOYSA-N 0 0 273.248 3.115 50 5 CGBARN CN(C(=O)OC(C)(C)C)c1ccc([N+](=O)[O-])c(F)c1 ZINC000261494236 190039932 /nfs/dbraw/zinc/03/99/32/190039932.db2.gz SKGONPIGYHXGNP-UHFFFAOYSA-N 0 0 270.260 3.105 50 5 CGBARN O=C(c1ccccc1)c1c(F)ccc([N+](=O)[O-])c1F ZINC000065335482 296260223 /nfs/dbraw/zinc/26/02/23/296260223.db2.gz BKIUJVGTPFKOSG-UHFFFAOYSA-N 0 0 263.199 3.104 50 5 CGBARN O=C(NCCC1=CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000000038847 169513428 /nfs/dbraw/zinc/51/34/28/169513428.db2.gz AZDRWROIXARTCX-UHFFFAOYSA-N 0 0 274.320 3.215 50 5 CGBARN COc1ccc(OC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1 ZINC000000225554 169579818 /nfs/dbraw/zinc/57/98/18/169579818.db2.gz IAYNRYWAJHRQIZ-NYYWCZLTSA-N 0 0 299.282 3.222 50 5 biogenic CGBARN O=[N+]([O-])c1ccc(CNc2cccc(F)c2)s1 ZINC000000279537 169595783 /nfs/dbraw/zinc/59/57/83/169595783.db2.gz JGMYHCZGMMCFDL-UHFFFAOYSA-N 0 0 252.270 3.408 50 5 CGBARN O=C1OC(=CNc2ccc([N+](=O)[O-])cc2)c2ccccc21 ZINC000100479613 284944583 /nfs/dbraw/zinc/94/45/83/284944583.db2.gz WLDWUVWFUYZBFP-ZROIWOOFSA-N 0 0 282.255 3.176 50 5 CGBARN O=[N+]([O-])c1cccc(-c2noc(COc3ccccc3)n2)c1 ZINC000000432933 169639079 /nfs/dbraw/zinc/63/90/79/169639079.db2.gz QEVWQJHTCVJDLY-UHFFFAOYSA-N 0 0 297.270 3.224 50 5 CGBARN O=Cc1cn(Cc2ccc([N+](=O)[O-])cc2)c2ccccc12 ZINC000000454792 169644747 /nfs/dbraw/zinc/64/47/47/169644747.db2.gz JAWFXXLBXDAJAJ-UHFFFAOYSA-N 0 0 280.283 3.410 50 5 aggregator CGBARN Cc1cc(C)cc(C(=O)N(C)c2cccc([N+](=O)[O-])c2)c1 ZINC000001391307 169699462 /nfs/dbraw/zinc/69/94/62/169699462.db2.gz WLACBAQSIHWPOB-UHFFFAOYSA-N 0 0 284.315 3.488 50 5 CGBARN Cc1ccc2c(c1)[C@H](c1ccccc1[N+](=O)[O-])CC(=O)N2 ZINC000000084796 391905447 /nfs/dbraw/zinc/90/54/47/391905447.db2.gz GCQHIQGSYBZUNV-LBPRGKRZSA-N 0 0 282.299 3.377 50 5 CGBARN Cc1ccc(Nc2ccc3nonc3c2[N+](=O)[O-])cc1 ZINC000003879028 391919009 /nfs/dbraw/zinc/91/90/09/391919009.db2.gz WVWIAWCTHQDIBO-UHFFFAOYSA-N 0 0 270.248 3.183 50 5 CGBARN O=[N+]([O-])c1cc(F)ccc1NCCOc1ccccc1 ZINC000095883703 392244153 /nfs/dbraw/zinc/24/41/53/392244153.db2.gz MBSFCMPYGFSQKT-UHFFFAOYSA-N 0 0 276.267 3.225 50 5 CGBARN O=[N+]([O-])c1ccc(N2CCCCC2)cc1NC1CC1 ZINC000004543442 134649564 /nfs/dbraw/zinc/64/95/64/134649564.db2.gz MTMRWXNHBUCVDW-UHFFFAOYSA-N 0 0 261.325 3.159 50 5 CGBARN CC(=O)c1cc(N2CCC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000008762666 134670352 /nfs/dbraw/zinc/67/03/52/134670352.db2.gz BHOBIHHOXKMPIG-SNVBAGLBSA-N 0 0 262.309 3.034 50 5 CGBARN O=[N+]([O-])c1cc(Cl)c(F)c(Br)c1 ZINC000068675318 296498563 /nfs/dbraw/zinc/49/85/63/296498563.db2.gz BRRBPBANQLIPKD-UHFFFAOYSA-N 0 0 254.442 3.150 50 5 CGBARN O=Cc1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000001761021 169755530 /nfs/dbraw/zinc/75/55/30/169755530.db2.gz AXTMBFKLHOZCDO-UHFFFAOYSA-N 0 0 288.215 3.108 50 5 CGBARN C[C@H](CC(=O)Nc1ncc([N+](=O)[O-])s1)c1ccccc1 ZINC000004696153 170000164 /nfs/dbraw/zinc/00/01/64/170000164.db2.gz NRMXUVXZYCBQRM-SECBINFHSA-N 0 0 291.332 3.184 50 5 CGBARN Cc1cccc(C(=O)Nc2ccc([N+](=O)[O-])cc2C)c1 ZINC000004828873 170025025 /nfs/dbraw/zinc/02/50/25/170025025.db2.gz GCWPHFUTHVPPAH-UHFFFAOYSA-N 0 0 270.288 3.464 50 5 CGBARN Cc1ccc(NC(=O)Cc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000004872814 170034621 /nfs/dbraw/zinc/03/46/21/170034621.db2.gz JTPBXPAKSODQFE-UHFFFAOYSA-N 0 0 288.278 3.224 50 5 CGBARN Cc1nc([N+](=O)[O-])c(SCc2ccc(F)cc2)[nH]1 ZINC000005129408 170069040 /nfs/dbraw/zinc/06/90/40/170069040.db2.gz CHWVKFWFTIBPHF-UHFFFAOYSA-N 0 0 267.285 3.058 50 5 CGBARN CSC(=C[N+](=O)[O-])Nc1ccc(OC(F)(F)F)cc1 ZINC000005211183 170076682 /nfs/dbraw/zinc/07/66/82/170076682.db2.gz XMMUMYKHLBTDOY-TWGQIWQCSA-N 0 0 294.254 3.436 50 5 CGBARN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCc1ccccc1 ZINC000005379224 170091512 /nfs/dbraw/zinc/09/15/12/170091512.db2.gz MCXDADGIPOKOLK-UHFFFAOYSA-N 0 0 284.315 3.475 50 5 CGBARN C[C@@H](Oc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000005528786 170109081 /nfs/dbraw/zinc/10/90/81/170109081.db2.gz UZSLZEQAGCDBPI-LLVKDONJSA-N 0 0 286.287 3.001 50 5 CGBARN O=C(Nc1cc(F)ccc1F)c1ccc([N+](=O)[O-])cc1 ZINC000005676858 170127094 /nfs/dbraw/zinc/12/70/94/170127094.db2.gz SPFHDPDPRPIQIM-UHFFFAOYSA-N 0 0 278.214 3.125 50 5 CGBARN O=[N+]([O-])c1ccc(NC2CCCC2)c2ccncc21 ZINC000005701814 170130922 /nfs/dbraw/zinc/13/09/22/170130922.db2.gz ZURVPYGUMUJFBD-UHFFFAOYSA-N 0 0 257.293 3.498 50 5 CGBARN O=C(c1ccccc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000005899758 170152105 /nfs/dbraw/zinc/15/21/05/170152105.db2.gz HHBAMTFXSSAHDN-UHFFFAOYSA-N 0 0 296.326 3.426 50 5 CGBARN Cc1cc(C(=O)Nc2cccnc2Cl)ccc1[N+](=O)[O-] ZINC000005960709 170162706 /nfs/dbraw/zinc/16/27/06/170162706.db2.gz DNVHSTISXBFJLG-UHFFFAOYSA-N 0 0 291.694 3.204 50 5 CGBARN COc1ccc(F)cc1COc1ccc(C)nc1[N+](=O)[O-] ZINC000005970100 170164457 /nfs/dbraw/zinc/16/44/57/170164457.db2.gz UHMWJWVUMJWUNF-UHFFFAOYSA-N 0 0 292.266 3.025 50 5 CGBARN Cc1ccc(C)c(C(=O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000006060971 170173211 /nfs/dbraw/zinc/17/32/11/170173211.db2.gz ZOJQTLVLAWDXME-UHFFFAOYSA-N 0 0 285.299 3.473 50 5 CGBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(F)cc1F ZINC000008267168 170327812 /nfs/dbraw/zinc/32/78/12/170327812.db2.gz FCWWSGBEMVLXSY-UHFFFAOYSA-N 0 0 292.241 3.434 50 5 CGBARN COc1cc(/C=C\c2ccccn2)c([N+](=O)[O-])cc1OC ZINC000033900673 171825174 /nfs/dbraw/zinc/82/51/74/171825174.db2.gz MTHVXOKFZSUGCS-SREVYHEPSA-N 0 0 286.287 3.177 50 5 CGBARN Cc1csc(NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)n1 ZINC000035226002 172070062 /nfs/dbraw/zinc/07/00/62/172070062.db2.gz BEJRSQPYMPNIRM-DAXSKMNVSA-N 0 0 289.316 3.012 50 5 CGBARN COc1ccccc1-c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000044550816 175202344 /nfs/dbraw/zinc/20/23/44/175202344.db2.gz ALBGTLCEMRDPLW-UHFFFAOYSA-N 0 0 269.260 3.147 50 5 CGBARN O=[N+]([O-])c1cccc(OCc2ccn(-c3ccccc3)n2)c1 ZINC000060299094 175636764 /nfs/dbraw/zinc/63/67/64/175636764.db2.gz CIERDALZTWTCPC-UHFFFAOYSA-N 0 0 295.298 3.360 50 5 CGBARN CCOc1ccc(Br)c([N+](=O)[O-])c1Cl ZINC000261493597 276372188 /nfs/dbraw/zinc/37/21/88/276372188.db2.gz FMBACCQQBMVDIW-UHFFFAOYSA-N 0 0 280.505 3.409 50 5 CGBARN CCO[C@H]1c2c(c([N+](=O)[O-])ccc2C)OC1(C)C ZINC000004105220 276491279 /nfs/dbraw/zinc/49/12/79/276491279.db2.gz KEXBZZJRTCEAQU-LBPRGKRZSA-N 0 0 251.282 3.152 50 5 CGBARN CC(=O)Nc1c(C)cc(C(C)(C)C)c([N+](=O)[O-])c1C ZINC000000345652 277062050 /nfs/dbraw/zinc/06/20/50/277062050.db2.gz LSQABBJARYIYBX-UHFFFAOYSA-N 0 0 264.325 3.468 50 5 CGBARN CC(=O)Nc1ccc(/C=C\c2ccc([N+](=O)[O-])cn2)cc1 ZINC000222090060 277065598 /nfs/dbraw/zinc/06/55/98/277065598.db2.gz XFJYPNISGIWVSH-DJWKRKHSSA-N 0 0 283.287 3.119 50 5 CGBARN COC(=O)c1cc(N2C[C@@H](C)CC2(C)C)ccc1[N+](=O)[O-] ZINC000225543478 277152457 /nfs/dbraw/zinc/15/24/57/277152457.db2.gz ZOYXIXIQIMPHQZ-JTQLQIEISA-N 0 0 292.335 3.006 50 5 CGBARN Cc1cc(Br)cc([N+](=O)[O-])c1Cl ZINC000036532877 278626513 /nfs/dbraw/zinc/62/65/13/278626513.db2.gz APKDWSJHWVOZGA-UHFFFAOYSA-N 0 0 250.479 3.319 50 5 CGBARN O=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1ccco1 ZINC000000288474 280010480 /nfs/dbraw/zinc/01/04/80/280010480.db2.gz YSOSTZJIDQHPMJ-UHFFFAOYSA-N 0 0 266.640 3.094 50 5 CGBARN Cc1cc(N2Cc3ccccc3[C@H]2C)ncc1[N+](=O)[O-] ZINC000253427589 280590276 /nfs/dbraw/zinc/59/02/76/280590276.db2.gz WNCIQKJYMLVYEZ-LLVKDONJSA-N 0 0 269.304 3.379 50 5 CGBARN O=[N+]([O-])c1ccc(Cl)cc1/C=C\c1ccncn1 ZINC000255420099 618439136 /nfs/dbraw/zinc/43/91/36/618439136.db2.gz SLMDGYZBNNPQLO-IWQZZHSRSA-N 0 0 261.668 3.209 50 5 CGBARN CC[C@@]1(C)CCN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000079102114 640371411 /nfs/dbraw/zinc/37/14/11/640371411.db2.gz PRHYLBIKCRRTLV-WAVCKPEOSA-N 0 0 288.347 3.257 50 5 CGBARN O=C(/C=C\c1ccc([N+](=O)[O-])cc1)OCc1ccccc1 ZINC000097657581 640872600 /nfs/dbraw/zinc/87/26/00/640872600.db2.gz BNENQSLQCVUFQE-FLIBITNWSA-N 0 0 283.283 3.351 50 5 CGBARN Cc1ccc(-c2cc(=O)oc(-c3ccco3)n2)cc1[N+](=O)[O-] ZINC000000455792 640924096 /nfs/dbraw/zinc/92/40/96/640924096.db2.gz RTJCQNZLQONKMO-UHFFFAOYSA-N 0 0 298.254 3.178 50 5 CGBARN Cc1c(NC(=O)N2CCC=C(Cl)C2)cccc1[N+](=O)[O-] ZINC000585140507 346725355 /nfs/dbraw/zinc/72/53/55/346725355.db2.gz GKHVPSLEUPUMAE-UHFFFAOYSA-N 0 0 295.726 3.264 50 5 CGBARN Cc1nc(N[C@H](C)c2nc3ccccc3[nH]2)ccc1[N+](=O)[O-] ZINC000301657770 201119491 /nfs/dbraw/zinc/11/94/91/201119491.db2.gz SNOSCDRQLXHRNV-SNVBAGLBSA-N 0 0 297.318 3.348 50 5 CGBARN Cc1c(C(=O)N2C[C@@H](C)C[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000000209589 368315898 /nfs/dbraw/zinc/31/58/98/368315898.db2.gz MSMZPBGANVGFBL-QWRGUYRKSA-N 0 0 276.336 3.021 50 5 CGBARN Cc1cc(C)n([C@@H](C[N+](=O)[O-])c2ccc(Cl)cc2)n1 ZINC000000075191 368282343 /nfs/dbraw/zinc/28/23/43/368282343.db2.gz ZEJWZGJVLLMJLE-ZDUSSCGKSA-N 0 0 279.727 3.019 50 5 CGBARN Cc1cc(C)cc(NC(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000000101778 368289619 /nfs/dbraw/zinc/28/96/19/368289619.db2.gz OIZWLGYRGCTUFV-UHFFFAOYSA-N 0 0 270.288 3.464 50 5 CGBARN CCc1ccccc1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000000242208 368322972 /nfs/dbraw/zinc/32/29/72/368322972.db2.gz SGZLKMULGJFCMM-UHFFFAOYSA-N 0 0 270.288 3.410 50 5 CGBARN COc1cc(/C=C/[N+](=O)[O-])ccc1OC(=O)c1ccccc1 ZINC000000117601 368294999 /nfs/dbraw/zinc/29/49/99/368294999.db2.gz NBXVHJOLIVSNPD-MDZDMXLPSA-N 0 0 299.282 3.162 50 5 biogenic CGBARN Cc1c(NC(=O)c2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000000125577 368295782 /nfs/dbraw/zinc/29/57/82/368295782.db2.gz UXWCIJAOIOOQQO-UHFFFAOYSA-N 0 0 274.251 3.295 50 5 CGBARN O=C(/C=C/c1ccc(F)cc1)Nc1cccc([N+](=O)[O-])c1 ZINC000000442923 368367700 /nfs/dbraw/zinc/36/77/00/368367700.db2.gz OERRXXOCYOKFLV-RMKNXTFCSA-N 0 0 286.262 3.386 50 5 CGBARN CCC[C@@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000000449747 368369272 /nfs/dbraw/zinc/36/92/72/368369272.db2.gz WGKCRNUHNWGSDQ-MRVPVSSYSA-N 0 0 270.716 3.167 50 5 CGBARN C[C@@H]1CCCCN1C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000000461574 368372038 /nfs/dbraw/zinc/37/20/38/368372038.db2.gz MKJVAUBXOGXYCU-OFFHKIPUSA-N 0 0 274.320 3.009 50 5 CGBARN O=C(CCc1ccccc1)Oc1ccccc1[N+](=O)[O-] ZINC000000358727 368346730 /nfs/dbraw/zinc/34/67/30/368346730.db2.gz QIRSBSAUGCCRRK-UHFFFAOYSA-N 0 0 271.272 3.133 50 5 CGBARN Cc1nn(Cc2ccccc2Cl)c(C)c1[N+](=O)[O-] ZINC000000380113 368353259 /nfs/dbraw/zinc/35/32/59/368353259.db2.gz PORFQNNWFDJHRV-UHFFFAOYSA-N 0 0 265.700 3.110 50 5 CGBARN Cc1ccc(/C=C/C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)o1 ZINC000000473490 368374465 /nfs/dbraw/zinc/37/44/65/368374465.db2.gz MYMQCJLDJAHGQF-FNORWQNLSA-N 0 0 290.250 3.287 50 5 CGBARN COc1ccc([C@H]2CC2(Cl)Cl)cc1[N+](=O)[O-] ZINC000000494826 368379043 /nfs/dbraw/zinc/37/90/43/368379043.db2.gz BSPPTLGOZWAWGN-SSDOTTSWSA-N 0 0 262.092 3.265 50 5 CGBARN O=c1c2ccccc2c2c3cccc4cccc(c(=O)c1=2)c43 ZINC000001294469 368406287 /nfs/dbraw/zinc/40/62/87/368406287.db2.gz ALLDARTXMQFRKU-UHFFFAOYSA-N 0 0 282.298 3.467 50 5 CGBARN O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1ccccc1F ZINC000002899121 368485805 /nfs/dbraw/zinc/48/58/05/368485805.db2.gz YRRBSAPPKPUKJB-UHFFFAOYSA-N 0 0 278.214 3.125 50 5 CGBARN Cc1ccc(Nc2ccc3nonc3c2[N+](=O)[O-])c(C)c1 ZINC000003879029 368522568 /nfs/dbraw/zinc/52/25/68/368522568.db2.gz RUUZDESPOCCARX-UHFFFAOYSA-N 0 0 284.275 3.491 50 5 CGBARN O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@H]1c1ccccc1 ZINC000004012182 368526071 /nfs/dbraw/zinc/52/60/71/368526071.db2.gz VQBXJAHKWCTDEL-LSDHHAIUSA-N 0 0 282.299 3.337 50 5 CGBARN CCOc1cccc(C(=O)Nc2ccccc2[N+](=O)[O-])c1 ZINC000004689077 368557301 /nfs/dbraw/zinc/55/73/01/368557301.db2.gz WFGDBZDBTQTODE-UHFFFAOYSA-N 0 0 286.287 3.246 50 5 CGBARN O=C(N[C@H](c1ccccc1)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000011201914 368589261 /nfs/dbraw/zinc/58/92/61/368589261.db2.gz LLSIFSIYVKLMPR-MRXNPFEDSA-N 0 0 296.326 3.476 50 5 CGBARN O=[N+]([O-])c1ccc(NCCc2cccc3cccnc32)nc1 ZINC000014813648 368685543 /nfs/dbraw/zinc/68/55/43/368685543.db2.gz SSWUICKIWHEKAX-UHFFFAOYSA-N 0 0 294.314 3.193 50 5 CGBARN Cc1[nH]c2ccccc2c1CCNc1ccc([N+](=O)[O-])cn1 ZINC000019874377 368774222 /nfs/dbraw/zinc/77/42/22/368774222.db2.gz ISMJLTRZXMZNJU-UHFFFAOYSA-N 0 0 296.330 3.434 50 5 CGBARN Cc1cc(NC(=O)c2ccccc2[N+](=O)[O-])ccc1N(C)C ZINC000024572967 368832145 /nfs/dbraw/zinc/83/21/45/368832145.db2.gz DJPCFVNQGFKOGF-UHFFFAOYSA-N 0 0 299.330 3.222 50 5 CGBARN Cc1ccc(Oc2ncc([N+](=O)[O-])c(NC3CC3)n2)cc1 ZINC000026690739 368862749 /nfs/dbraw/zinc/86/27/49/368862749.db2.gz BCWXDTDJBORHOU-UHFFFAOYSA-N 0 0 286.291 3.060 50 5 CGBARN Cc1cc([C@H]2CCCN2Cc2cccc([N+](=O)[O-])c2)no1 ZINC000027880242 368876890 /nfs/dbraw/zinc/87/68/90/368876890.db2.gz SAHDTBDSVUKSIV-OAHLLOKOSA-N 0 0 287.319 3.228 50 5 CGBARN Cc1nc(-c2cccc([N+](=O)[O-])c2)ccc1-c1cc[nH]n1 ZINC000072448732 369820648 /nfs/dbraw/zinc/82/06/48/369820648.db2.gz OZZGBZUNUUOBFO-UHFFFAOYSA-N 0 0 280.287 3.355 50 5 CGBARN CCOc1c(Cl)cc(Br)cc1[N+](=O)[O-] ZINC000082046482 369997859 /nfs/dbraw/zinc/99/78/59/369997859.db2.gz WUTUDOOUHIAOAD-UHFFFAOYSA-N 0 0 280.505 3.409 50 5 CGBARN O=[N+]([O-])c1cc2cnn(Cc3ccccn3)c2c(Cl)c1 ZINC000097094985 370224524 /nfs/dbraw/zinc/22/45/24/370224524.db2.gz CAIHVJMVPJIVIA-UHFFFAOYSA-N 0 0 288.694 3.041 50 5 CGBARN O=C(NC[C@H]1CC=CCC1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000149195047 371526286 /nfs/dbraw/zinc/52/62/86/371526286.db2.gz TVPKEOYIJYQBED-JTQLQIEISA-N 0 0 294.738 3.334 50 5 CGBARN Cc1ncn(Cc2ccc([N+](=O)[O-])cc2C(F)(F)F)c1C ZINC000178673819 373804045 /nfs/dbraw/zinc/80/40/45/373804045.db2.gz ZMJJRKHIBQHPRR-UHFFFAOYSA-N 0 0 299.252 3.475 50 5 CGBARN CCS[C@H]1CCCCN(c2ncc([N+](=O)[O-])s2)C1 ZINC000192453771 375752953 /nfs/dbraw/zinc/75/29/53/375752953.db2.gz JJYALYPXBUSTMH-VIFPVBQESA-N 0 0 287.410 3.163 50 5 CGBARN CCN(C(=O)OC(C)(C)C)c1ccc([N+](=O)[O-])c(F)c1 ZINC000261493471 190039436 /nfs/dbraw/zinc/03/94/36/190039436.db2.gz BVSWTDRBBLTJNU-UHFFFAOYSA-N 0 0 284.287 3.495 50 5 CGBARN Cc1ccc([N+](=O)[O-])c(OC(F)F)c1Br ZINC000263623572 190070372 /nfs/dbraw/zinc/07/03/72/190070372.db2.gz IPOYOEBNDWLEDL-UHFFFAOYSA-N 0 0 282.040 3.267 50 5 CGBARN Cc1cc(Br)c(OC(F)F)cc1[N+](=O)[O-] ZINC000263623854 190070762 /nfs/dbraw/zinc/07/07/62/190070762.db2.gz LHOSIVPZHDMXEW-UHFFFAOYSA-N 0 0 282.040 3.267 50 5 CGBARN Cc1c(Br)cc(OC(F)F)cc1[N+](=O)[O-] ZINC000263625302 190071148 /nfs/dbraw/zinc/07/11/48/190071148.db2.gz YNJYZMLNIBXGJG-UHFFFAOYSA-N 0 0 282.040 3.267 50 5 CGBARN C[C@@H](CNc1cccc(F)c1[N+](=O)[O-])c1nccs1 ZINC000230606902 376520672 /nfs/dbraw/zinc/52/06/72/376520672.db2.gz DITCUTWDINLPQN-QMMMGPOBSA-N 0 0 281.312 3.406 50 5 CGBARN O=[N+]([O-])c1cc(F)ccc1N1CCC[C@H]1c1ccncc1 ZINC000270979850 378422061 /nfs/dbraw/zinc/42/20/61/378422061.db2.gz VJFQHTGYFNTZSJ-ZDUSSCGKSA-N 0 0 287.294 3.470 50 5 CGBARN C[C@@H](Nc1c(F)cc([N+](=O)[O-])cc1F)c1ccon1 ZINC000353267211 380197657 /nfs/dbraw/zinc/19/76/57/380197657.db2.gz PFAFHJCJNVBPHH-ZCFIWIBFSA-N 0 0 269.207 3.034 50 5 CGBARN Cc1ccc(C(=O)Nc2cccc(F)c2)cc1[N+](=O)[O-] ZINC000000102000 169536554 /nfs/dbraw/zinc/53/65/54/169536554.db2.gz VTGOMJNADMTMBM-UHFFFAOYSA-N 0 0 274.251 3.295 50 5 CGBARN O=C(CCNc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000000244049 169585074 /nfs/dbraw/zinc/58/50/74/169585074.db2.gz BJEAOSUTDGATSF-UHFFFAOYSA-N 0 0 270.288 3.280 50 5 CGBARN Cc1ccccc1NCC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000000433581 169639463 /nfs/dbraw/zinc/63/94/63/169639463.db2.gz JLWKLIRHPMVXFN-UHFFFAOYSA-N 0 0 270.288 3.198 50 5 CGBARN O=[N+]([O-])c1cc2c(c([N+](=O)[O-])c1)Oc1ccccc1O2 ZINC000002066516 285098442 /nfs/dbraw/zinc/09/84/42/285098442.db2.gz YKBFDZKCVIXREA-UHFFFAOYSA-N 0 0 274.188 3.401 50 5 CGBARN O=[N+]([O-])c1ccc2c(c1)CN(Cc1ccccc1)CC2 ZINC000031687545 285142732 /nfs/dbraw/zinc/14/27/32/285142732.db2.gz AGFPKVWDPOICML-UHFFFAOYSA-N 0 0 268.316 3.153 50 5 CGBARN O=[N+]([O-])c1cccc(-c2noc(-c3ccccc3)n2)c1 ZINC000003156632 285152676 /nfs/dbraw/zinc/15/26/76/285152676.db2.gz MEANKDBJCLROEM-UHFFFAOYSA-N 0 0 267.244 3.312 50 5 CGBARN O=c1c2cccnc2oc2ccc(-n3cccc3)cc12 ZINC000000090635 285214002 /nfs/dbraw/zinc/21/40/02/285214002.db2.gz FTZKSIMECLSDJF-UHFFFAOYSA-N 0 0 262.268 3.132 50 5 CGBARN CC(C)CN(CC(C)C)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000001599518 169722963 /nfs/dbraw/zinc/72/29/63/169722963.db2.gz IFYJJQOERYQZBL-UHFFFAOYSA-N 0 0 278.352 3.349 50 5 CGBARN O=C1O/C(=C/c2ccccc2)c2ccc([N+](=O)[O-])cc21 ZINC000000480625 391910913 /nfs/dbraw/zinc/91/09/13/391910913.db2.gz RWEIQGLZAWVMHU-RIYZIHGNSA-N 0 0 267.240 3.263 50 5 CGBARN C[C@H]1CCc2oc3cc([N+](=O)[O-])cc([N+](=O)[O-])c3c2C1 ZINC000003618928 391919387 /nfs/dbraw/zinc/91/93/87/391919387.db2.gz XXLRWLHAWPLBOA-ZETCQYMHSA-N 0 0 276.248 3.374 50 5 CGBARN O=[N+]([O-])c1cccc(Br)c1C(F)(F)F ZINC000165277282 296510473 /nfs/dbraw/zinc/51/04/73/296510473.db2.gz SVEJTJRLLNMRMF-UHFFFAOYSA-N 0 0 270.004 3.376 50 5 CGBARN CC(C)CN(C(=O)Nc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000045032738 397621503 /nfs/dbraw/zinc/62/15/03/397621503.db2.gz SWNMZGKOQGOUBJ-UHFFFAOYSA-N 0 0 277.324 3.247 50 5 CGBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)Nc1nccs1 ZINC000001753375 292293683 /nfs/dbraw/zinc/29/36/83/292293683.db2.gz CAFMPYCFHJXVRK-UHFFFAOYSA-N 0 0 278.293 3.004 50 5 CGBARN CCCCC(=O)Nc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000001777643 169757045 /nfs/dbraw/zinc/75/70/45/169757045.db2.gz QRIWJJULTCVTHO-UHFFFAOYSA-N 0 0 279.321 3.333 50 5 CGBARN CCCN(CCC)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000002164777 169777921 /nfs/dbraw/zinc/77/79/21/169777921.db2.gz VOEYCSDUPKWHRK-UHFFFAOYSA-N 0 0 265.313 3.249 50 5 CGBARN CC(C)(c1ccc(C(=O)c2ccccc2)cc1)[N+](=O)[O-] ZINC000002141641 169776232 /nfs/dbraw/zinc/77/62/32/169776232.db2.gz ZPIBPFBKDWRMRR-UHFFFAOYSA-N 0 0 269.300 3.429 50 5 CGBARN Cc1ccc(NC(=O)N2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000002172202 169779731 /nfs/dbraw/zinc/77/97/31/169779731.db2.gz JHUCMUHUUYLMSI-JTQLQIEISA-N 0 0 277.324 3.167 50 5 CGBARN Cc1cc([N+](=O)[O-])ccc1OC(F)(F)C(F)F ZINC000002563273 169809410 /nfs/dbraw/zinc/80/94/10/169809410.db2.gz JHPMFMSCHNLTQM-UHFFFAOYSA-N 0 0 253.151 3.140 50 5 CGBARN Cc1nn(COc2ccc(Cl)c(C)c2)c(C)c1[N+](=O)[O-] ZINC000002731982 169822623 /nfs/dbraw/zinc/82/26/23/169822623.db2.gz FUPHJBRYQSPDAS-UHFFFAOYSA-N 0 0 295.726 3.406 50 5 CGBARN Cc1ccc(C(=O)OCc2ccc([N+](=O)[O-])cc2)s1 ZINC000003246266 169871778 /nfs/dbraw/zinc/87/17/78/169871778.db2.gz WBMGTBAKUCXBKM-UHFFFAOYSA-N 0 0 277.301 3.322 50 5 CGBARN CCC(=O)Nc1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000004829110 170024804 /nfs/dbraw/zinc/02/48/04/170024804.db2.gz LGTUZFPYYMKOTE-UHFFFAOYSA-N 0 0 263.080 3.250 50 5 CGBARN CCC(=O)N(CC)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000004829109 170024952 /nfs/dbraw/zinc/02/49/52/170024952.db2.gz WMDWPCJCVNFQJD-UHFFFAOYSA-N 0 0 256.689 3.011 50 5 CGBARN O=C(/C=C/c1cccs1)Nc1ccc([N+](=O)[O-])cc1 ZINC000004902014 170038561 /nfs/dbraw/zinc/03/85/61/170038561.db2.gz HFZOTMNAZZMVFP-BQYQJAHWSA-N 0 0 274.301 3.308 50 5 CGBARN O=C(Nc1ccc([N+](=O)[O-])cc1)Nc1cccnc1Cl ZINC000004927497 170041988 /nfs/dbraw/zinc/04/19/88/170041988.db2.gz VZHSGVHJZUKFGP-UHFFFAOYSA-N 0 0 292.682 3.287 50 5 CGBARN Cc1ccc(-c2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1 ZINC000005504055 170105582 /nfs/dbraw/zinc/10/55/82/170105582.db2.gz AAMPIRQLXWIYCV-UHFFFAOYSA-N 0 0 253.261 3.447 50 5 CGBARN Cc1nn(CCOc2ccc(Cl)cc2)c(C)c1[N+](=O)[O-] ZINC000005797523 170141202 /nfs/dbraw/zinc/14/12/02/170141202.db2.gz XHWABXHBIOUIHN-UHFFFAOYSA-N 0 0 295.726 3.141 50 5 CGBARN COCCNc1nc(-c2ccc(C)c([N+](=O)[O-])c2)cs1 ZINC000007889381 170306403 /nfs/dbraw/zinc/30/64/03/170306403.db2.gz MXPMFQFOWPVLTP-UHFFFAOYSA-N 0 0 293.348 3.085 50 5 CGBARN O=[N+]([O-])c1ccc(S(=O)(=O)/C=C/c2ccccc2)cc1 ZINC000007911950 170307287 /nfs/dbraw/zinc/30/72/87/170307287.db2.gz UTFUXBJSDKZRSI-ZHACJKMWSA-N 0 0 289.312 3.039 50 5 CGBARN CC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000008053648 170316620 /nfs/dbraw/zinc/31/66/20/170316620.db2.gz ILAJMGYQZDSJKR-SNVBAGLBSA-N 0 0 285.303 3.366 50 5 CGBARN CC(=O)[C@H](C)Oc1cc(O)c2c(c1)oc1ccccc1c2=O ZINC000008488467 170337591 /nfs/dbraw/zinc/33/75/91/170337591.db2.gz JIGXNVLFNIAKBD-JTQLQIEISA-N 0 0 298.294 3.008 50 5 biogenic CGBARN CC(=O)[C@@H](C)Oc1cc(O)c2c(c1)oc1ccccc1c2=O ZINC000008489504 170337665 /nfs/dbraw/zinc/33/76/65/170337665.db2.gz JIGXNVLFNIAKBD-SNVBAGLBSA-N 0 0 298.294 3.008 50 5 biogenic CGBARN CCc1cccc(CC)c1NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000008772472 170355397 /nfs/dbraw/zinc/35/53/97/170355397.db2.gz BXEOZXAWQZCGMA-UHFFFAOYSA-N 0 0 287.319 3.300 50 5 CGBARN Cc1cc(=O)oc2cc(Oc3ncccc3[N+](=O)[O-])ccc12 ZINC000012546960 170496739 /nfs/dbraw/zinc/49/67/39/170496739.db2.gz LRBXMCYCGCTWGI-UHFFFAOYSA-N 0 0 298.254 3.197 50 5 CGBARN C[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1cccnc1 ZINC000037486770 173230221 /nfs/dbraw/zinc/23/02/21/173230221.db2.gz YVYTYYDJRWDWTO-SECBINFHSA-N 0 0 288.263 3.071 50 5 CGBARN O=C(Nc1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1)C1CC1 ZINC000052390354 175535220 /nfs/dbraw/zinc/53/52/20/175535220.db2.gz VVUTUSCKWPFHOG-UHFFFAOYSA-N 0 0 299.286 3.131 50 5 CGBARN Cc1ccc(C(=O)Nc2ccsc2)cc1[N+](=O)[O-] ZINC000072288162 176360892 /nfs/dbraw/zinc/36/08/92/176360892.db2.gz VAYGUIYBTZXHGN-UHFFFAOYSA-N 0 0 262.290 3.217 50 5 CGBARN O=[N+]([O-])c1ccc(-n2cc(Cl)cn2)c(Cl)c1 ZINC000072334122 176371141 /nfs/dbraw/zinc/37/11/41/176371141.db2.gz ANDGOWQBGDFFLE-UHFFFAOYSA-N 0 0 258.064 3.087 50 5 CGBARN COc1cccc(-c2ccc([N+](=O)[O-])cc2)c1OC ZINC000725264272 544113984 /nfs/dbraw/zinc/11/39/84/544113984.db2.gz ULAXSCSEQTZRRA-UHFFFAOYSA-N 0 0 259.261 3.279 50 5 CGBARN O=[N+]([O-])c1ccc(-c2c(F)cccc2Cl)cn1 ZINC000725269943 544114929 /nfs/dbraw/zinc/11/49/29/544114929.db2.gz ASBHDGCDOBUYNX-UHFFFAOYSA-N 0 0 252.632 3.449 50 5 CGBARN CCOC(=O)c1c(C)nc2c3ccccc3oc(=N)c2c1C ZINC000004693693 276296602 /nfs/dbraw/zinc/29/66/02/276296602.db2.gz TWEWBQDHCIZXBC-UHFFFAOYSA-N 0 0 296.326 3.254 50 5 CGBARN CCn1c2ccccc2c2nn3c4ccccc4nc3nc21 ZINC000000533325 276711968 /nfs/dbraw/zinc/71/19/68/276711968.db2.gz ZNSDKRHGKCBEHI-UHFFFAOYSA-N 0 0 287.326 3.405 50 5 CGBARN CN1c2ccccc2/C(=C\c2ccc([N+](=O)[O-])cc2)C1=O ZINC000006497692 277216934 /nfs/dbraw/zinc/21/69/34/277216934.db2.gz VFEAEUAVLAWVNZ-GXDHUFHOSA-N 0 0 280.283 3.112 50 5 CGBARN CC(C)(C)Sc1nc2sccn2c1[N+](=O)[O-] ZINC000001395910 277223451 /nfs/dbraw/zinc/22/34/51/277223451.db2.gz SKPUNIIFGKKYNO-UHFFFAOYSA-N 0 0 257.340 3.195 50 5 CGBARN CSc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000003162359 278169129 /nfs/dbraw/zinc/16/91/29/278169129.db2.gz AMQJAAFKRBXKNK-UHFFFAOYSA-N 0 0 282.199 3.244 50 5 CGBARN CC1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000000123357 278536128 /nfs/dbraw/zinc/53/61/28/278536128.db2.gz PGTOSGHDVYBELJ-UHFFFAOYSA-N 0 0 282.727 3.120 50 5 CGBARN Nc1cccc2nc3c4cccc5cccc(c(=O)n3c21)c54 ZINC000013230099 279704707 /nfs/dbraw/zinc/70/47/07/279704707.db2.gz YPBAPYSOFKTDLD-UHFFFAOYSA-N 0 0 285.306 3.174 50 5 CGBARN O=[N+]([O-])c1c(NC2CCCCCC2)nc2sccn21 ZINC000008317371 280354456 /nfs/dbraw/zinc/35/44/56/280354456.db2.gz REXCWSIHKCGTHM-UHFFFAOYSA-N 0 0 280.353 3.439 50 5 CGBARN Cc1cc(NC(=O)c2ccco2)c2cc([N+](=O)[O-])ccc2n1 ZINC000096503119 280622494 /nfs/dbraw/zinc/62/24/94/280622494.db2.gz UZZWBSMSASFPJO-UHFFFAOYSA-N 0 0 297.270 3.297 50 5 CGBARN O=[N+]([O-])c1cc(Cl)cnc1Sc1ccncc1 ZINC000096485863 230381428 /nfs/dbraw/zinc/38/14/28/230381428.db2.gz GGYWWDVVUFXHGC-UHFFFAOYSA-N 0 0 267.697 3.189 50 5 CGBARN CCOC(=O)c1nc(-c2ccc([N+](=O)[O-])cc2)sc1C ZINC000161557669 346176057 /nfs/dbraw/zinc/17/60/57/346176057.db2.gz GXFRKOSFVJIJCC-UHFFFAOYSA-N 0 0 292.316 3.203 50 5 CGBARN O=[N+]([O-])c1ccc(SCCOCC(F)F)c(F)c1 ZINC000252482573 346391689 /nfs/dbraw/zinc/39/16/89/346391689.db2.gz DJJQIVYXYHJZAO-UHFFFAOYSA-N 0 0 281.255 3.108 50 5 CGBARN CC(=O)Nc1cc([N+](=O)[O-])ccc1NC1CCCCC1 ZINC000584904521 346723760 /nfs/dbraw/zinc/72/37/60/346723760.db2.gz LGYLLONCJPEVCU-UHFFFAOYSA-N 0 0 277.324 3.298 50 5 CGBARN Cc1c(Br)ccc(OCC2CC2)c1[N+](=O)[O-] ZINC000606304478 348174258 /nfs/dbraw/zinc/17/42/58/348174258.db2.gz FQMQLCXYQWCFSV-UHFFFAOYSA-N 0 0 286.125 3.455 50 5 CGBARN CCn1nc(C)c([N+](=O)[O-])c1NCc1cc(F)ccc1F ZINC000091549344 138344387 /nfs/dbraw/zinc/34/43/87/138344387.db2.gz KDMIKDCIJGGVHM-UHFFFAOYSA-N 0 0 296.277 3.010 50 5 CGBARN Cc1ncc(CN(C)c2ncc(Cl)cc2[N+](=O)[O-])s1 ZINC000178833818 189149208 /nfs/dbraw/zinc/14/92/08/189149208.db2.gz OPFIBIVRZPLNSZ-UHFFFAOYSA-N 0 0 298.755 3.045 50 5 CGBARN Cc1ccc(C)c(NC(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000000103290 368291169 /nfs/dbraw/zinc/29/11/69/368291169.db2.gz ZCFJRZKXKWLSNG-UHFFFAOYSA-N 0 0 270.288 3.464 50 5 CGBARN COC(=O)c1sccc1Oc1ccc(F)cc1[N+](=O)[O-] ZINC000000167332 368307352 /nfs/dbraw/zinc/30/73/52/368307352.db2.gz DQBWKRWWGCCGRK-UHFFFAOYSA-N 0 0 297.263 3.374 50 5 CGBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)Cc1ccc(F)cc1 ZINC000000318085 368340741 /nfs/dbraw/zinc/34/07/41/368340741.db2.gz LGKCXYYBAOKNAI-UHFFFAOYSA-N 0 0 288.278 3.224 50 5 CGBARN Cc1cc(O)c(NC(=O)c2cccc([N+](=O)[O-])c2)cc1C ZINC000000330824 368342050 /nfs/dbraw/zinc/34/20/50/368342050.db2.gz GZVTURAYXZMNFJ-UHFFFAOYSA-N 0 0 286.287 3.170 50 5 CGBARN O=C(/C=C/c1ccccc1[N+](=O)[O-])Nc1ccc(F)cc1 ZINC000000464588 368372624 /nfs/dbraw/zinc/37/26/24/368372624.db2.gz HKSFOPXVXLLJIN-BJMVGYQFSA-N 0 0 286.262 3.386 50 5 CGBARN Cc1cc(C)cc(C(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000000505729 368381176 /nfs/dbraw/zinc/38/11/76/368381176.db2.gz SAUQXLKEFBHHJO-UHFFFAOYSA-N 0 0 270.288 3.464 50 5 CGBARN O=C(OCc1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000000563750 368387329 /nfs/dbraw/zinc/38/73/29/368387329.db2.gz XGGKHCMCDWGEEN-UHFFFAOYSA-N 0 0 275.235 3.091 50 5 CGBARN Cc1occc1C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000001052148 368401443 /nfs/dbraw/zinc/40/14/43/368401443.db2.gz UKCSXYDTLJQIIT-UHFFFAOYSA-N 0 0 260.249 3.057 50 5 CGBARN O=[N+]([O-])c1ccccc1CCc1cnc(Cl)s1 ZINC000001384337 368408845 /nfs/dbraw/zinc/40/88/45/368408845.db2.gz FAENDJJQRXQEGC-UHFFFAOYSA-N 0 0 268.725 3.490 50 5 CGBARN CC(C)(C)C(=O)COC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000003245613 368499090 /nfs/dbraw/zinc/49/90/90/368499090.db2.gz MNEZKGYMESFORC-UHFFFAOYSA-N 0 0 299.710 3.020 50 5 CGBARN Cc1nn(CC(=O)c2ccc(Cl)s2)c(C)c1[N+](=O)[O-] ZINC000003311505 368501799 /nfs/dbraw/zinc/50/17/99/368501799.db2.gz YGAGMKSRCQEASE-UHFFFAOYSA-N 0 0 299.739 3.006 50 5 CGBARN O=[N+]([O-])c1cccc(Oc2cnc3ccccc3n2)c1 ZINC000003016011 368488100 /nfs/dbraw/zinc/48/81/00/368488100.db2.gz OVBCEUDYAYPUQJ-UHFFFAOYSA-N 0 0 267.244 3.330 50 5 CGBARN O=C(Nc1nc(=S)ss1)c1cccc([N+](=O)[O-])c1 ZINC000003104753 368491004 /nfs/dbraw/zinc/49/10/04/368491004.db2.gz YVRVGGPZCLVDKN-UHFFFAOYSA-N 0 0 299.358 3.095 50 5 CGBARN Cc1cccc(C(=O)N[C@@H](C)CCC(C)C)c1[N+](=O)[O-] ZINC000003486891 368509084 /nfs/dbraw/zinc/50/90/84/368509084.db2.gz IAGOFDHXQHOVRV-LBPRGKRZSA-N 0 0 278.352 3.458 50 5 CGBARN Nc1cc(-c2ccc([N+](=O)[O-])cc2)nn1-c1ccccc1 ZINC000003887714 368522226 /nfs/dbraw/zinc/52/22/26/368522226.db2.gz RBMIDRFAHQDIRK-UHFFFAOYSA-N 0 0 280.287 3.030 50 5 CGBARN O=C(N[C@@H](c1ccccc1)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000011201902 368588674 /nfs/dbraw/zinc/58/86/74/368588674.db2.gz LLSIFSIYVKLMPR-INIZCTEOSA-N 0 0 296.326 3.476 50 5 CGBARN COc1ccc(CN(c2ccc([N+](=O)[O-])cn2)C2CC2)cc1 ZINC000013014473 368641548 /nfs/dbraw/zinc/64/15/48/368641548.db2.gz BEHMALQDYUEBFT-UHFFFAOYSA-N 0 0 299.330 3.167 50 5 CGBARN Cc1cc([C@H]2CCCN2Cc2ccccc2[N+](=O)[O-])no1 ZINC000023053712 368816029 /nfs/dbraw/zinc/81/60/29/368816029.db2.gz XCPCXVDTWPNTBJ-OAHLLOKOSA-N 0 0 287.319 3.228 50 5 CGBARN Cc1ccoc1C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000025318311 368844507 /nfs/dbraw/zinc/84/45/07/368844507.db2.gz GMGCNHDENUHTNI-UHFFFAOYSA-N 0 0 260.249 3.057 50 5 CGBARN CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)c1cccs1 ZINC000024316698 368830472 /nfs/dbraw/zinc/83/04/72/368830472.db2.gz GKGAOBJNEONCFJ-GFCCVEGCSA-N 0 0 294.332 3.376 50 5 CGBARN COc1cc(CNc2ccc([N+](=O)[O-])cc2F)ccc1O ZINC000032923445 368952637 /nfs/dbraw/zinc/95/26/37/368952637.db2.gz DAJTUDAPAQGPBW-UHFFFAOYSA-N 0 0 292.266 3.060 50 5 CGBARN O=[N+]([O-])c1ccc(Oc2ccc3ncccc3c2)nc1 ZINC000049390952 369401588 /nfs/dbraw/zinc/40/15/88/369401588.db2.gz VNCACLUQLXXORD-UHFFFAOYSA-N 0 0 267.244 3.330 50 5 CGBARN COCCCc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000063630257 369647806 /nfs/dbraw/zinc/64/78/06/369647806.db2.gz BMQSOYWDFTZSLV-UHFFFAOYSA-N 0 0 278.333 3.297 50 5 CGBARN CCOCc1ccc(CNc2ncccc2[N+](=O)[O-])cc1 ZINC000065552114 369682745 /nfs/dbraw/zinc/68/27/45/369682745.db2.gz HGVGTEMQULUIRP-UHFFFAOYSA-N 0 0 287.319 3.138 50 5 CGBARN O=C(OCc1ccccc1)c1ccc(F)c([N+](=O)[O-])c1 ZINC000070166591 369784721 /nfs/dbraw/zinc/78/47/21/369784721.db2.gz JTJITTDUVBATOW-UHFFFAOYSA-N 0 0 275.235 3.091 50 5 CGBARN O=[N+]([O-])c1ccc(Cl)cc1OC(F)(F)Cl ZINC000095215500 370178209 /nfs/dbraw/zinc/17/82/09/370178209.db2.gz RMFLDRGNSBILEP-UHFFFAOYSA-N 0 0 258.007 3.416 50 5 CGBARN Cc1nc(Oc2c(F)cccc2F)ccc1[N+](=O)[O-] ZINC000132570600 371185072 /nfs/dbraw/zinc/18/50/72/371185072.db2.gz SYUNFATXMBZUSQ-UHFFFAOYSA-N 0 0 266.203 3.369 50 5 CGBARN CN(C(=O)OC(C)(C)C)c1cc([N+](=O)[O-])cnc1Cl ZINC000261494326 190039919 /nfs/dbraw/zinc/03/99/19/190039919.db2.gz UZPUNYVFKINGJN-UHFFFAOYSA-N 0 0 287.703 3.015 50 5 CGBARN Cc1cc(F)c(NC(=O)c2ccsc2)cc1[N+](=O)[O-] ZINC000252480188 377625931 /nfs/dbraw/zinc/62/59/31/377625931.db2.gz BXQMXYXRZVEBOL-UHFFFAOYSA-N 0 0 280.280 3.356 50 5 CGBARN O=C1CCCc2occ(-c3cccc([N+](=O)[O-])c3)c21 ZINC000000208984 284796625 /nfs/dbraw/zinc/79/66/25/284796625.db2.gz ZCBMPCBNFVEWCC-UHFFFAOYSA-N 0 0 257.245 3.374 50 5 CGBARN C[C@@H]1CCC[C@H](C)N1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000243446451 542320705 /nfs/dbraw/zinc/32/07/05/542320705.db2.gz NEWBSDNICUEEOF-PHIMTYICSA-N 0 0 277.324 3.390 50 5 CGBARN CCOC(=O)c1cccc(-c2ccc(/C=C/[N+](=O)[O-])o2)c1 ZINC000000475275 169650840 /nfs/dbraw/zinc/65/08/40/169650840.db2.gz IIYRYWPBOJWTEV-CMDGGOBGSA-N 0 0 287.271 3.371 50 5 CGBARN O=[N+]([O-])c1cc2oc3c(c2c([N+](=O)[O-])c1)CCCC3 ZINC000012846580 285104274 /nfs/dbraw/zinc/10/42/74/285104274.db2.gz VOHZMDCBWTWNLT-UHFFFAOYSA-N 0 0 262.221 3.128 50 5 CGBARN O=[N+]([O-])c1ccc(-n2nc3ccc4ccccc4c3n2)cc1 ZINC000000274693 285108299 /nfs/dbraw/zinc/10/82/99/285108299.db2.gz PVWAMIIBQZNVOS-UHFFFAOYSA-N 0 0 290.282 3.482 50 5 CGBARN O=c1c2cc(Cl)ccc2oc2cc(O)cc(O)c12 ZINC000026476454 285209440 /nfs/dbraw/zinc/20/94/40/285209440.db2.gz OHWOAGAHMPEFSA-UHFFFAOYSA-N 0 0 262.648 3.011 50 5 biogenic CGBARN Cc1cc([N+](=O)[O-])ccc1NC(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000017022604 391935151 /nfs/dbraw/zinc/93/51/51/391935151.db2.gz IKHPEAQGRLJROV-GHMZBOCLSA-N 0 0 291.351 3.413 50 5 CGBARN Cc1ccc(Nc2ccc([N+](=O)[O-])ccc2=O)cc1 ZINC000004309921 391920888 /nfs/dbraw/zinc/92/08/88/391920888.db2.gz NBHUALIFNSDNBD-UHFFFAOYSA-N 0 0 256.261 3.007 50 5 CGBARN Cc1cc(Br)c([N+](=O)[O-])c(Br)c1 ZINC000036532871 391974410 /nfs/dbraw/zinc/97/44/10/391974410.db2.gz XVVIBMJSRSEASD-UHFFFAOYSA-N 0 0 294.930 3.428 50 5 CGBARN CC(C)OCC[C@@H]1CCCCN1c1ccc([N+](=O)[O-])cn1 ZINC000088736731 135056522 /nfs/dbraw/zinc/05/65/22/135056522.db2.gz USMJLNJXYPBWPY-ZDUSSCGKSA-N 0 0 293.367 3.164 50 5 CGBARN Cc1cccc(C)c1OC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000003333624 169880039 /nfs/dbraw/zinc/88/00/39/169880039.db2.gz RJBJOWLUSASRHD-UHFFFAOYSA-N 0 0 285.299 3.360 50 5 CGBARN CC(C)[C@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000007804096 170303541 /nfs/dbraw/zinc/30/35/41/170303541.db2.gz ATBMMMZWBSWMQD-QMMMGPOBSA-N 0 0 270.716 3.023 50 5 CGBARN O=[N+]([O-])c1c(OC(F)(F)F)ccc2ncccc21 ZINC000038537319 174144697 /nfs/dbraw/zinc/14/46/97/174144697.db2.gz UXFDSUZDFANKFP-UHFFFAOYSA-N 0 0 258.155 3.042 50 5 CGBARN O=[N+]([O-])c1ccc([C@@H](O)Cc2ccnc3ccccc23)cc1 ZINC000071771088 176262403 /nfs/dbraw/zinc/26/24/03/176262403.db2.gz CLGFBSSOIWDRQK-KRWDZBQOSA-N 0 0 294.310 3.419 50 5 CGBARN COC(=O)c1cnc(/C=C/c2csc([N+](=O)[O-])c2)s1 ZINC000071855210 176277880 /nfs/dbraw/zinc/27/78/80/176277880.db2.gz XWKFYALZSIVJOV-NSCUHMNNSA-N 0 0 296.329 3.070 50 5 CGBARN C[C@@H]1CN(C)[C@@H](C)c2c3cc([N+](=O)[O-])ccc3oc21 ZINC000012436517 274340037 /nfs/dbraw/zinc/34/00/37/274340037.db2.gz HAPQZJBJBJVMIZ-BDAKNGLRSA-N 0 0 260.293 3.451 50 5 CGBARN CC(=O)n1c2ccccc2c2cc([N+](=O)[O-])ccc21 ZINC000004010874 275507849 /nfs/dbraw/zinc/50/78/49/275507849.db2.gz YGPZTMZYXJDGSK-UHFFFAOYSA-N 0 0 254.245 3.363 50 5 CGBARN CCCc1cc(=O)oc2c(C)c3occc(=O)c3cc12 ZINC000012902808 276055094 /nfs/dbraw/zinc/05/50/94/276055094.db2.gz WFKXWVIKXMDMFI-UHFFFAOYSA-N 0 0 270.284 3.160 50 5 biogenic CGBARN CCOC(=O)c1cnc2c3ccccc3ccc2c1N ZINC000019792055 276302136 /nfs/dbraw/zinc/30/21/36/276302136.db2.gz DOGQVKFHBMNJGG-UHFFFAOYSA-N 0 0 266.300 3.147 50 5 CGBARN CCOc1cc([N+](=O)[O-])c(F)c(C(F)(F)F)c1 ZINC000261494287 276493803 /nfs/dbraw/zinc/49/38/03/276493803.db2.gz UGGZRMQUNHVLCU-UHFFFAOYSA-N 0 0 253.151 3.151 50 5 CGBARN COc1ccc2c3ccc(OC(C)=O)c(C)c3oc(=O)c2c1 ZINC000000451470 277999525 /nfs/dbraw/zinc/99/95/25/277999525.db2.gz ZAJODNUDTZPJBJ-UHFFFAOYSA-N 0 0 298.294 3.189 50 5 CGBARN C[C@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000004010576 278331225 /nfs/dbraw/zinc/33/12/25/278331225.db2.gz GGPDJCZDHJKDNU-VIFPVBQESA-N 0 0 282.727 3.263 50 5 CGBARN Cc1cc([N+](=O)[O-])cc(Cl)c1Br ZINC000114705222 278744528 /nfs/dbraw/zinc/74/45/28/278744528.db2.gz UETMZIKJERIBQM-UHFFFAOYSA-N 0 0 250.479 3.319 50 5 CGBARN CCC[C@H]1[C@H](C)CCCN1c1ccc([N+](=O)[O-])cn1 ZINC000084740582 278964805 /nfs/dbraw/zinc/96/48/05/278964805.db2.gz ZXGAJGQMXVHRTN-YPMHNXCESA-N 0 0 263.341 3.395 50 5 CGBARN Cc1ccc2c(c1)[C@@H](c1ccccc1[N+](=O)[O-])CC(=O)N2 ZINC000000084792 301905782 /nfs/dbraw/zinc/90/57/82/301905782.db2.gz GCQHIQGSYBZUNV-GFCCVEGCSA-N 0 0 282.299 3.377 50 5 CGBARN CCc1ccc(NC(=O)c2ccc(C)nc2)cc1[N+](=O)[O-] ZINC000032796325 329516319 /nfs/dbraw/zinc/51/63/19/329516319.db2.gz KMXZCQPLOJHPKA-UHFFFAOYSA-N 0 0 285.303 3.113 50 5 CGBARN O=C(/C=C\c1cccc([N+](=O)[O-])c1)OCc1ccccc1 ZINC000096477270 230379673 /nfs/dbraw/zinc/37/96/73/230379673.db2.gz KOOAFKKJIYPRPA-KTKRTIGZSA-N 0 0 283.283 3.351 50 5 CGBARN Cc1cc(C)c([N+](=O)[O-])c(OCc2ccccc2)n1 ZINC000096006429 185063244 /nfs/dbraw/zinc/06/32/44/185063244.db2.gz KHRASGROHPTQBP-UHFFFAOYSA-N 0 0 258.277 3.186 50 5 CGBARN CC(C)N(Cc1ccccc1)c1ncccc1[N+](=O)[O-] ZINC000085340235 179025370 /nfs/dbraw/zinc/02/53/70/179025370.db2.gz WKAPYTLIBTWIBJ-UHFFFAOYSA-N 0 0 271.320 3.405 50 5 CGBARN Cc1c(NC(=O)N[C@H](C(F)F)C2CC2)cccc1[N+](=O)[O-] ZINC000585140764 346725430 /nfs/dbraw/zinc/72/54/30/346725430.db2.gz KMLUKHQTJBUNFH-NSHDSACASA-N 0 0 299.277 3.068 50 5 CGBARN Nc1ccccc1S[C@H](C[N+](=O)[O-])c1ccccc1 ZINC000000100417 368289150 /nfs/dbraw/zinc/28/91/50/368289150.db2.gz DWNNEKXCXZHDQF-CQSZACIVSA-N 0 0 274.345 3.379 50 5 CGBARN O=C(Nc1ccc(F)cc1F)c1cccc([N+](=O)[O-])c1 ZINC000000298909 368336248 /nfs/dbraw/zinc/33/62/48/368336248.db2.gz CYQWPYUOEOCWPQ-UHFFFAOYSA-N 0 0 278.214 3.125 50 5 CGBARN Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])o2)c(C)c1 ZINC000000305107 368337042 /nfs/dbraw/zinc/33/70/42/368337042.db2.gz JTAMJUIJFCJJAW-UHFFFAOYSA-N 0 0 260.249 3.057 50 5 CGBARN COc1ccc(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000000366921 368350236 /nfs/dbraw/zinc/35/02/36/368350236.db2.gz YZQWDZOKEIKQTI-UHFFFAOYSA-N 0 0 291.690 3.488 50 5 CGBARN COC(=O)c1ccc(Oc2cccc(C)c2)c([N+](=O)[O-])c1 ZINC000001402010 368411800 /nfs/dbraw/zinc/41/18/00/368411800.db2.gz PWZZDLDYPIPOMJ-UHFFFAOYSA-N 0 0 287.271 3.482 50 5 CGBARN CCOC(=O)CCCCCC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000002580316 368467599 /nfs/dbraw/zinc/46/75/99/368467599.db2.gz GRNCETBIEJELOA-UHFFFAOYSA-N 0 0 293.319 3.291 50 5 CGBARN COc1ccccc1-c1noc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000002883791 368483757 /nfs/dbraw/zinc/48/37/57/368483757.db2.gz CNACGEGIHZUCKP-UHFFFAOYSA-N 0 0 297.270 3.320 50 5 CGBARN COc1ccc(OC)c(/C=C/c2onc(C)c2[N+](=O)[O-])c1 ZINC000002887187 368484237 /nfs/dbraw/zinc/48/42/37/368484237.db2.gz XKYPRCDUBACSSY-GQCTYLIASA-N 0 0 290.275 3.079 50 5 CGBARN Cc1c(NC(=O)c2ccc(N(C)C)cc2)cccc1[N+](=O)[O-] ZINC000002950517 368485497 /nfs/dbraw/zinc/48/54/97/368485497.db2.gz XNFQEXNHTJFFIV-UHFFFAOYSA-N 0 0 299.330 3.222 50 5 CGBARN COc1ccccc1Nc1nc(Cl)ccc1[N+](=O)[O-] ZINC000003880513 368522613 /nfs/dbraw/zinc/52/26/13/368522613.db2.gz PCQWUSKKLBNBKJ-UHFFFAOYSA-N 0 0 279.683 3.395 50 5 CGBARN CC(=O)O[C@H]1c2ccccc2-c2cc([N+](=O)[O-])ccc21 ZINC000004759507 368558291 /nfs/dbraw/zinc/55/82/91/368558291.db2.gz WZQYOADNXLOMIA-HNNXBMFYSA-N 0 0 269.256 3.228 50 5 CGBARN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCSCC1 ZINC000004362038 368544621 /nfs/dbraw/zinc/54/46/21/368544621.db2.gz IMRCUFPZYKMQQC-UHFFFAOYSA-N 0 0 292.282 3.167 50 5 CGBARN CC(C)N1C(=O)S/C(=C/c2cccc([N+](=O)[O-])c2)C1=O ZINC000004545320 368550988 /nfs/dbraw/zinc/55/09/88/368550988.db2.gz AWKHKYFSNUFTQA-YRNVUSSQSA-N 0 0 292.316 3.040 50 5 CGBARN O=c1[nH]c2ccccc2c2nnc(-c3ccccc3)cc12 ZINC000006666568 368569557 /nfs/dbraw/zinc/56/95/57/368569557.db2.gz IJKWMBDHVKONDQ-UHFFFAOYSA-N 0 0 273.295 3.138 50 5 CGBARN O=[N+]([O-])c1cccc(Oc2nccc(C(F)(F)F)n2)c1 ZINC000024052645 368827322 /nfs/dbraw/zinc/82/73/22/368827322.db2.gz FHRGYKDVGKJABU-UHFFFAOYSA-N 0 0 285.181 3.196 50 5 CGBARN O=[N+]([O-])c1ccc(NCc2ccc(Cl)cc2)nc1 ZINC000020031404 368792920 /nfs/dbraw/zinc/79/29/20/368792920.db2.gz JPZWJLFDYGALIJ-UHFFFAOYSA-N 0 0 263.684 3.255 50 5 CGBARN CN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccccc1 ZINC000027356663 368870129 /nfs/dbraw/zinc/87/01/29/368870129.db2.gz JAKMMGQZVRQIKY-UHFFFAOYSA-N 0 0 285.303 3.259 50 5 CGBARN O=C(c1ccc([N+](=O)[O-])o1)N1CCC[C@@H]1c1ccsc1 ZINC000046911854 369300460 /nfs/dbraw/zinc/30/04/60/369300460.db2.gz RLEAESJCMLRZKA-SNVBAGLBSA-N 0 0 292.316 3.227 50 5 CGBARN CCS[C@@H]1CCCC[C@H]1Nc1ncccc1[N+](=O)[O-] ZINC000075105365 369895145 /nfs/dbraw/zinc/89/51/45/369895145.db2.gz WMTSXWXMNNFWFX-ZYHUDNBSSA-N 0 0 281.381 3.466 50 5 CGBARN Cc1nc(NC(=O)[C@@H](C)c2cccs2)ccc1[N+](=O)[O-] ZINC000089536958 370042026 /nfs/dbraw/zinc/04/20/26/370042026.db2.gz AKFAHWFFTSCCOU-QMMMGPOBSA-N 0 0 291.332 3.102 50 5 CGBARN CC(=O)N(C)c1ccccc1NCc1ccccc1[N+](=O)[O-] ZINC000096446944 370211845 /nfs/dbraw/zinc/21/18/45/370211845.db2.gz DYAQGJVRJBJRKY-UHFFFAOYSA-N 0 0 299.330 3.190 50 5 CGBARN COc1ccccc1CN(C)c1sccc1[N+](=O)[O-] ZINC000095456966 370196839 /nfs/dbraw/zinc/19/68/39/370196839.db2.gz REGVORVAIPBMEO-UHFFFAOYSA-N 0 0 278.333 3.301 50 5 CGBARN O=C(Nc1ncc([N+](=O)[O-])s1)Nc1ccc(Cl)cc1 ZINC000006863334 284435216 /nfs/dbraw/zinc/43/52/16/284435216.db2.gz XKVRQHTZNIMPPL-UHFFFAOYSA-N 0 0 298.711 3.349 50 5 CGBARN Cc1ccc(CNc2ccncc2F)cc1[N+](=O)[O-] ZINC000192149984 375703333 /nfs/dbraw/zinc/70/33/33/375703333.db2.gz OWZQXVUONMIQHE-UHFFFAOYSA-N 0 0 261.256 3.049 50 5 CGBARN O=[N+]([O-])c1cc(Br)cc(OC(F)(F)F)c1 ZINC000261493562 190039093 /nfs/dbraw/zinc/03/90/93/190039093.db2.gz DPEUAJNJUIJTKB-UHFFFAOYSA-N 0 0 286.003 3.256 50 5 CGBARN CN(C(=O)OCc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000261493740 190039841 /nfs/dbraw/zinc/03/98/41/190039841.db2.gz IHVJGLGEGBBVQR-UHFFFAOYSA-N 0 0 286.287 3.368 50 5 CGBARN O=C(OCc1ccc(F)cc1F)c1cccc([N+](=O)[O-])c1 ZINC000000273449 169594162 /nfs/dbraw/zinc/59/41/62/169594162.db2.gz VGUGWQJGNCOQTG-UHFFFAOYSA-N 0 0 293.225 3.230 50 5 CGBARN C[C@H]1CCCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000000288703 169598205 /nfs/dbraw/zinc/59/82/05/169598205.db2.gz FCSIYNVDXLKTKY-VIFPVBQESA-N 0 0 282.727 3.120 50 5 CGBARN C[C@@H](OC(=O)c1cccc([N+](=O)[O-])c1)C(=O)c1ccccc1 ZINC000000313571 169605662 /nfs/dbraw/zinc/60/56/62/169605662.db2.gz LLZBBOSMEREIHE-LLVKDONJSA-N 0 0 299.282 3.023 50 5 CGBARN O=[N+]([O-])c1cc(F)c(N2CCCC2)cc1N1CCCCC1 ZINC000004183931 285093868 /nfs/dbraw/zinc/09/38/68/285093868.db2.gz GKEPGNPWYGNOGV-UHFFFAOYSA-N 0 0 293.342 3.324 50 5 CGBARN O=[N+]([O-])c1ccc(-c2nc3ccc([N+](=O)[O-])cc3o2)cc1 ZINC000002024721 285104953 /nfs/dbraw/zinc/10/49/53/285104953.db2.gz MRPVWUGPLHDBTK-UHFFFAOYSA-N 0 0 285.215 3.311 50 5 CGBARN O=[N+]([O-])c1ccc(N2CCC(n3cccc3)CC2)cc1 ZINC000004347616 285121597 /nfs/dbraw/zinc/12/15/97/285121597.db2.gz GEGCXQQZGYLISO-UHFFFAOYSA-N 0 0 271.320 3.238 50 5 CGBARN O=[N+]([O-])c1ccc2c(c1)N[C@@H]1c3cc([N+](=O)[O-])ccc3C[C@H]21 ZINC000005799550 285144017 /nfs/dbraw/zinc/14/40/17/285144017.db2.gz CSBPWFAEXFRRRG-UKRRQHHQSA-N 0 0 297.270 3.310 50 5 CGBARN O=[N+]([O-])c1ccc2c(c1)[nH]c(=S)n2-c1ccccc1 ZINC000013140518 285146217 /nfs/dbraw/zinc/14/62/17/285146217.db2.gz AIHFDVZZSAZCQP-UHFFFAOYSA-N 0 0 271.301 3.222 50 5 CGBARN O=[N+]([O-])c1cccc(-c2nc(-c3ccccc3)no2)c1 ZINC000000080648 285152702 /nfs/dbraw/zinc/15/27/02/285152702.db2.gz XLFCFHWQTFKPFS-UHFFFAOYSA-N 0 0 267.244 3.312 50 5 CGBARN O=[N+]([O-])c1ccc(N2CCCC[C@@H]2c2ccco2)nc1 ZINC000095397844 296506159 /nfs/dbraw/zinc/50/61/59/296506159.db2.gz CTBOYEMYXJZDKZ-GFCCVEGCSA-N 0 0 273.292 3.314 50 5 CGBARN C[C@@H]1CCC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000239254630 397668806 /nfs/dbraw/zinc/66/88/06/397668806.db2.gz YNVAQOXIURTABG-UHIISALHSA-N 0 0 276.336 3.149 50 5 CGBARN Cc1cc2ccccn2c1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000003333410 169880069 /nfs/dbraw/zinc/88/00/69/169880069.db2.gz ACAMMISBQDDNRD-UHFFFAOYSA-N 0 0 280.283 3.387 50 5 CGBARN Cc1cccc(Nc2c3nonc3ccc2[N+](=O)[O-])c1 ZINC000003904277 169923090 /nfs/dbraw/zinc/92/30/90/169923090.db2.gz KJUDSMNPOOLXPW-UHFFFAOYSA-N 0 0 270.248 3.183 50 5 CGBARN Cc1cccc(C(=O)N(C)c2ccccc2)c1[N+](=O)[O-] ZINC000006524415 170209717 /nfs/dbraw/zinc/20/97/17/170209717.db2.gz WWRPUNMSYPTXAB-UHFFFAOYSA-N 0 0 270.288 3.180 50 5 CGBARN O=[N+]([O-])c1ccc(NC(=S)N2CCc3ccccc32)cc1 ZINC000007098128 170267295 /nfs/dbraw/zinc/26/72/95/170267295.db2.gz NBVNOPJERHMNTM-UHFFFAOYSA-N 0 0 299.355 3.354 50 5 CGBARN O=C(Nc1ccccc1[N+](=O)[O-])c1ccc(F)cc1F ZINC000008568383 170340554 /nfs/dbraw/zinc/34/05/54/170340554.db2.gz AJHDAGZAYQCRMV-UHFFFAOYSA-N 0 0 278.214 3.125 50 5 CGBARN Cc1nn(C(F)(F)C(F)(Cl)Cl)c(C)c1[N+](=O)[O-] ZINC000008755368 170354362 /nfs/dbraw/zinc/35/43/62/170354362.db2.gz SSWKMVNAEOCHOW-UHFFFAOYSA-N 0 0 292.044 3.058 50 5 CGBARN CC(C)CC(=O)Nc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000008994385 170361134 /nfs/dbraw/zinc/36/11/34/170361134.db2.gz ZOBQBSPDZKNQOV-UHFFFAOYSA-N 0 0 279.321 3.189 50 5 CGBARN O=c1cc(Oc2ccc([N+](=O)[O-])cc2)c2ccccc2o1 ZINC000017117852 170725770 /nfs/dbraw/zinc/72/57/70/170725770.db2.gz FOTZMZVOUBJXIF-UHFFFAOYSA-N 0 0 283.239 3.494 50 5 CGBARN O=C(CCc1ccsc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000021887574 171336352 /nfs/dbraw/zinc/33/63/52/171336352.db2.gz ZQWLSQAYBNLMAB-UHFFFAOYSA-N 0 0 276.317 3.228 50 5 CGBARN Cc1ccc(Nc2nc3sccn3c2[N+](=O)[O-])cc1 ZINC000022161151 171364181 /nfs/dbraw/zinc/36/41/81/171364181.db2.gz BANJSCQOJJKKGL-UHFFFAOYSA-N 0 0 274.305 3.356 50 5 CGBARN O=[N+]([O-])c1cnn(CCOc2ccc3ccccc3c2)c1 ZINC000032827075 171753843 /nfs/dbraw/zinc/75/38/43/171753843.db2.gz GSJXFONWBQINQX-UHFFFAOYSA-N 0 0 283.287 3.024 50 5 CGBARN C[C@@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000000300499 287261724 /nfs/dbraw/zinc/26/17/24/287261724.db2.gz GGPDJCZDHJKDNU-SECBINFHSA-N 0 0 282.727 3.263 50 5 CGBARN O=[N+]([O-])c1cnn(COc2cc(Cl)ccc2Cl)c1 ZINC000072334161 176371178 /nfs/dbraw/zinc/37/11/78/176371178.db2.gz VSXWSRSZLLTROC-UHFFFAOYSA-N 0 0 288.090 3.135 50 5 CGBARN O=[N+]([O-])c1ccccc1/C=C\CNc1cccc(CO)c1 ZINC000530464029 270200358 /nfs/dbraw/zinc/20/03/58/270200358.db2.gz AOTPGXOROUWXII-DAXSKMNVSA-N 0 0 284.315 3.212 50 5 CGBARN COc1ccc(-c2nc3ccccc3o2)cc1[N+](=O)[O-] ZINC000000552519 277862402 /nfs/dbraw/zinc/86/24/02/277862402.db2.gz LGDPAVVMDFTHCI-UHFFFAOYSA-N 0 0 270.244 3.412 50 5 CGBARN O=C(NC1CCCCC1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000000288725 279824632 /nfs/dbraw/zinc/82/46/32/279824632.db2.gz JXQPFXISUQHSRZ-UHFFFAOYSA-N 0 0 282.727 3.311 50 5 CGBARN Cc1c(C)c([N+](=O)[O-])c(Br)c(C)c1[N+](=O)[O-] ZINC000004582755 280223082 /nfs/dbraw/zinc/22/30/82/280223082.db2.gz ZMHKCOHMNLOBFO-UHFFFAOYSA-N 0 0 289.085 3.191 50 5 CGBARN O=[N+]([O-])c1ccc(/C=C\c2ccnnc2)c(Cl)c1 ZINC000221790693 637751955 /nfs/dbraw/zinc/75/19/55/637751955.db2.gz YQNRYPQWBKIYMM-UPHRSURJSA-N 0 0 261.668 3.209 50 5 CGBARN C[C@H](C(=O)Nc1cccc(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000000471312 230366049 /nfs/dbraw/zinc/36/60/49/230366049.db2.gz FNNGRFUHUKRBOP-JTQLQIEISA-N 0 0 288.278 3.476 50 5 CGBARN O=[N+]([O-])c1ccc(SCCn2ccnc2)c(Cl)c1 ZINC000095940949 185036737 /nfs/dbraw/zinc/03/67/37/185036737.db2.gz OWHRJKXYVDJGOK-UHFFFAOYSA-N 0 0 283.740 3.237 50 5 CGBARN CC(C)[C@H](C)N(C)C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000095964731 185045491 /nfs/dbraw/zinc/04/54/91/185045491.db2.gz BCLGNZIACWFPAM-LBPRGKRZSA-N 0 0 278.352 3.030 50 5 CGBARN Cc1nn(C)c(N[C@H]2CCCc3ccccc32)c1[N+](=O)[O-] ZINC000047330974 282275381 /nfs/dbraw/zinc/27/53/81/282275381.db2.gz AJERJPYCVPGHFZ-ZDUSSCGKSA-N 0 0 286.335 3.126 50 5 CGBARN O=[N+]([O-])[C@]1(F)C(c2ccccc2)=NOC12CCCCC2 ZINC000001029470 344855742 /nfs/dbraw/zinc/85/57/42/344855742.db2.gz PYGUIWBHWWGPDF-CQSZACIVSA-N 0 0 278.283 3.066 50 5 CGBARN C[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2)c2ccccc2O1 ZINC000041155542 290781208 /nfs/dbraw/zinc/78/12/08/290781208.db2.gz HRFOFZOBRIBMEA-NSHDSACASA-N 0 0 298.298 3.023 50 5 CGBARN CC(=O)COc1ccc2c3ccccc3c(=O)oc2c1C ZINC000000083619 368285228 /nfs/dbraw/zinc/28/52/28/368285228.db2.gz VNVLPLZRLNYOQH-UHFFFAOYSA-N 0 0 282.295 3.222 50 5 biogenic,in-vivo CGBARN COc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 ZINC000000101583 368289133 /nfs/dbraw/zinc/28/91/33/368289133.db2.gz WWUVNHPDEFIUQI-UHFFFAOYSA-N 0 0 286.287 3.164 50 5 CGBARN Cc1ccc(C(=O)Nc2ccc(F)c(F)c2)cc1[N+](=O)[O-] ZINC000000101995 368289415 /nfs/dbraw/zinc/28/94/15/368289415.db2.gz QWNRYKYWFZJURX-UHFFFAOYSA-N 0 0 292.241 3.434 50 5 CGBARN COC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000000168471 368307337 /nfs/dbraw/zinc/30/73/37/368307337.db2.gz AYTAXIQGKJKPFT-UHFFFAOYSA-N 0 0 257.245 3.048 50 5 CGBARN Cc1ccn2cc(-c3cccc([N+](=O)[O-])c3)nc2c1 ZINC000000169280 368307686 /nfs/dbraw/zinc/30/76/86/368307686.db2.gz ZJQYLKVDBSTLMC-UHFFFAOYSA-N 0 0 253.261 3.218 50 5 CGBARN O=C(Nc1cnc2ccccc2c1)c1ccccc1[N+](=O)[O-] ZINC000000188338 368312028 /nfs/dbraw/zinc/31/20/28/368312028.db2.gz OYCADDDFWYMSFT-UHFFFAOYSA-N 0 0 293.282 3.395 50 5 CGBARN CC(=O)c1cccc(NC(=O)c2cccc([N+](=O)[O-])c2C)c1 ZINC000000259101 368327249 /nfs/dbraw/zinc/32/72/49/368327249.db2.gz ICMYWIRGHHRUNS-UHFFFAOYSA-N 0 0 298.298 3.358 50 5 CGBARN COC(=O)c1ccc(-c2ccc(C)cc2[N+](=O)[O-])cc1 ZINC000000338759 368342954 /nfs/dbraw/zinc/34/29/54/368342954.db2.gz LDXCGBKZIUEMQG-UHFFFAOYSA-N 0 0 271.272 3.357 50 5 CGBARN CC(C)(C)c1ccc(Cn2cnc([N+](=O)[O-])c2)cc1 ZINC000000376489 368352631 /nfs/dbraw/zinc/35/26/31/368352631.db2.gz SFYXRHKVGQAPDG-UHFFFAOYSA-N 0 0 259.309 3.137 50 5 CGBARN O=C(OCc1cccc([N+](=O)[O-])c1)c1cccs1 ZINC000000466934 368372821 /nfs/dbraw/zinc/37/28/21/368372821.db2.gz HTWIPACWTLJLTB-UHFFFAOYSA-N 0 0 263.274 3.013 50 5 CGBARN O=C(Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1)C1CC1 ZINC000000436820 368364967 /nfs/dbraw/zinc/36/49/67/368364967.db2.gz DTXFAZTUNCWLCZ-UHFFFAOYSA-N 0 0 289.316 3.067 50 5 CGBARN CC(=O)c1cccc(OCc2cccc([N+](=O)[O-])c2)c1 ZINC000000472057 368374098 /nfs/dbraw/zinc/37/40/98/368374098.db2.gz DHKUVTCQVPQBHP-UHFFFAOYSA-N 0 0 271.272 3.376 50 5 CGBARN O=C1O[C@@H](Nc2ccc(F)c([N+](=O)[O-])c2)c2ccccc21 ZINC000000553142 368386736 /nfs/dbraw/zinc/38/67/36/368386736.db2.gz ICQCAQCYXUOKNN-CYBMUJFWSA-N 0 0 288.234 3.015 50 5 CGBARN O=[N+]([O-])c1nn(Cc2c(F)cccc2Cl)cc1Cl ZINC000000614326 368392633 /nfs/dbraw/zinc/39/26/33/368392633.db2.gz DGAUGLWEELWTAV-UHFFFAOYSA-N 0 0 290.081 3.286 50 5 CGBARN Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(F)(F)F)c1 ZINC000001059455 368402756 /nfs/dbraw/zinc/40/27/56/368402756.db2.gz WNBCHMGMGMBDAU-UHFFFAOYSA-N 0 0 285.225 3.167 50 5 CGBARN COc1ccc([N+](=O)[O-])cc1NC(=O)Nc1cccs1 ZINC000002908191 368485887 /nfs/dbraw/zinc/48/58/87/368485887.db2.gz PQHWPYNLYFBDEG-UHFFFAOYSA-N 0 0 293.304 3.309 50 5 CGBARN C[C@@H](Cc1cccs1)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000003211590 368496572 /nfs/dbraw/zinc/49/65/72/368496572.db2.gz DOZOLDXFHVPQEM-JTQLQIEISA-N 0 0 290.344 3.017 50 5 CGBARN CCN(CC)c1cc(N2CCCC2)c([N+](=O)[O-])cc1F ZINC000004185309 368534977 /nfs/dbraw/zinc/53/49/77/368534977.db2.gz QNYNRPBRJSQFBI-UHFFFAOYSA-N 0 0 281.331 3.180 50 5 CGBARN CCCNc1c(N)cc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000004126556 368532140 /nfs/dbraw/zinc/53/21/40/368532140.db2.gz KQJZKEGXWMFEER-UHFFFAOYSA-N 0 0 263.219 3.018 50 5 CGBARN O=C(Nc1ccc2ccccc2c1[N+](=O)[O-])C1CCC1 ZINC000004666287 368554781 /nfs/dbraw/zinc/55/47/81/368554781.db2.gz OATNIOOXEJEYEV-UHFFFAOYSA-N 0 0 270.288 3.487 50 5 CGBARN Cc1cc(NC(=O)c2cccc([N+](=O)[O-])c2)c(C)cc1O ZINC000004269723 368539754 /nfs/dbraw/zinc/53/97/54/368539754.db2.gz OAPYLBGXXZNGRS-UHFFFAOYSA-N 0 0 286.287 3.170 50 5 CGBARN O=C(CCCNc1ccccc1[N+](=O)[O-])Nc1ccccc1 ZINC000012555877 368619842 /nfs/dbraw/zinc/61/98/42/368619842.db2.gz UXINTBCDXOYFLM-UHFFFAOYSA-N 0 0 299.330 3.426 50 5 CGBARN CCC[C@H](C)NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000012920686 368634650 /nfs/dbraw/zinc/63/46/50/368634650.db2.gz VNTCVTNZNKWQBW-QMMMGPOBSA-N 0 0 270.716 3.167 50 5 CGBARN O=[N+]([O-])c1ccccc1-c1cc(-c2ccccc2O)n[nH]1 ZINC000013130584 368643436 /nfs/dbraw/zinc/64/34/36/368643436.db2.gz QZUSBOXKBMDUQQ-UHFFFAOYSA-N 0 0 281.271 3.358 50 5 CGBARN C[C@@H]1C[C@H](C)CN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000013603409 368659015 /nfs/dbraw/zinc/65/90/15/368659015.db2.gz SDCFKPZPGFJOSW-AOOOYVTPSA-N 0 0 296.754 3.366 50 5 CGBARN O=c1oc2ccccc2c(Nc2ccc(O)cc2)c1[N+](=O)[O-] ZINC000017122920 368727611 /nfs/dbraw/zinc/72/76/11/368727611.db2.gz VMBZJCQIQOYRTO-UHFFFAOYSA-N 0 0 298.254 3.150 50 5 CGBARN Cc1ccc([N+](=O)[O-])c(NC(=O)C(C)(C)C)c1C ZINC000016697706 368720069 /nfs/dbraw/zinc/72/00/69/368720069.db2.gz OZYWCQOQNIOIOP-UHFFFAOYSA-N 0 0 250.298 3.196 50 5 CGBARN O=[N+]([O-])c1cc([N+](=O)[O-])c(Cl)c(Nc2ccccc2)n1 ZINC000023549785 368821584 /nfs/dbraw/zinc/82/15/84/368821584.db2.gz ZFQTVJXVKJGLGL-UHFFFAOYSA-N 0 0 294.654 3.295 50 5 CGBARN COc1ccc2oc(-c3ccc([N+](=O)[O-])cc3)cc(=O)c2c1 ZINC000042201574 369203902 /nfs/dbraw/zinc/20/39/02/369203902.db2.gz HGVDPIZNWPBQFY-UHFFFAOYSA-N 0 0 297.266 3.377 50 5 CGBARN CCN(Cc1ccc([N+](=O)[O-])cc1)c1cccc(CO)c1 ZINC000058306935 369563475 /nfs/dbraw/zinc/56/34/75/369563475.db2.gz AWKWHLPGLIMWSA-UHFFFAOYSA-N 0 0 286.331 3.114 50 5 CGBARN Cc1nc(COc2cc([N+](=O)[O-])ccc2Cl)oc1C ZINC000093307928 370116107 /nfs/dbraw/zinc/11/61/07/370116107.db2.gz MIYNXZQOHQIIRW-UHFFFAOYSA-N 0 0 282.683 3.432 50 5 CGBARN CC(C)(C)OC(=O)n1cc(C=O)c2c1cccc2[N+](=O)[O-] ZINC000095093479 370175355 /nfs/dbraw/zinc/17/53/55/370175355.db2.gz KXQLLEWIPLWWHS-UHFFFAOYSA-N 0 0 290.275 3.145 50 5 CGBARN O=C(Nc1ccc(Cl)cc1)c1ccc([N+](=O)[O-])o1 ZINC000000375216 284300576 /nfs/dbraw/zinc/30/05/76/284300576.db2.gz JDBZJNUHQINERI-UHFFFAOYSA-N 0 0 266.640 3.094 50 5 CGBARN O=C(Nc1nc([N+](=O)[O-])cs1)c1cc2ccccc2o1 ZINC000003901056 284416734 /nfs/dbraw/zinc/41/67/34/284416734.db2.gz ANHDEHHSBGBYGC-UHFFFAOYSA-N 0 0 289.272 3.050 50 5 CGBARN CC(C)COc1cc(Br)ccc1[N+](=O)[O-] ZINC000575442686 377912440 /nfs/dbraw/zinc/91/24/40/377912440.db2.gz DYOOAPIKOIGIES-UHFFFAOYSA-N 0 0 274.114 3.392 50 5 CGBARN O=C(CCOc1ccccc1)Nc1cccc([N+](=O)[O-])c1 ZINC000000037934 169513030 /nfs/dbraw/zinc/51/30/30/169513030.db2.gz PWPBIGOREKFEIG-UHFFFAOYSA-N 0 0 286.287 3.002 50 5 CGBARN CC(C)(C)OC(=O)CSc1ccccc1[N+](=O)[O-] ZINC000000072184 169526296 /nfs/dbraw/zinc/52/62/96/169526296.db2.gz TXVBTUAHOQXECZ-UHFFFAOYSA-N 0 0 269.322 3.029 50 5 CGBARN Cc1ccc2c(c1)N[C@@H](c1ccc([N+](=O)[O-])s1)O2 ZINC000000094459 169534214 /nfs/dbraw/zinc/53/42/14/169534214.db2.gz MRQKORNRKUHPBW-GFCCVEGCSA-N 0 0 262.290 3.468 50 5 CGBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(Cl)(Cl)Cl ZINC000000253805 169588095 /nfs/dbraw/zinc/58/80/95/169588095.db2.gz VSFWLSQSZQJZSN-UHFFFAOYSA-N 0 0 297.525 3.212 50 5 CGBARN Cc1ccc(C(=O)N[C@H](C)c2ccccc2)cc1[N+](=O)[O-] ZINC000000240635 169583849 /nfs/dbraw/zinc/58/38/49/169583849.db2.gz BQJMBPICOUAQIW-GFCCVEGCSA-N 0 0 284.315 3.394 50 5 CGBARN CCC[C@H](C)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000000456601 169645377 /nfs/dbraw/zinc/64/53/77/169645377.db2.gz ZTIAFSTUFTTWNL-QMMMGPOBSA-N 0 0 254.261 3.109 50 5 CGBARN O=C(/C=C/c1ccccc1[N+](=O)[O-])NC1CCCCCC1 ZINC000000466507 169648301 /nfs/dbraw/zinc/64/83/01/169648301.db2.gz ABJAOHWOVZKYLD-VAWYXSNFSA-N 0 0 288.347 3.447 50 5 CGBARN O=[N+]([O-])c1c(I)ccc2ccccc21 ZINC000001600273 285077801 /nfs/dbraw/zinc/07/78/01/285077801.db2.gz RIMCUZFCHBCDID-UHFFFAOYSA-N 0 0 299.067 3.353 50 5 CGBARN O=[N+]([O-])c1ccc(N2CCCC2)cc1N1CCCCC1 ZINC000003877919 285122153 /nfs/dbraw/zinc/12/21/53/285122153.db2.gz BUEFECGURTZCBQ-UHFFFAOYSA-N 0 0 275.352 3.185 50 5 CGBARN O=[N+]([O-])c1ccc(OC[C@H]2CC(c3ccccc3)=NO2)cc1 ZINC000000543880 169665426 /nfs/dbraw/zinc/66/54/26/169665426.db2.gz HWSCRCWCJFWZQO-OAHLLOKOSA-N 0 0 298.298 3.167 50 5 CGBARN S=c1[nH]c2ccccc2c2nc3ccccc3n21 ZINC000002168806 285409481 /nfs/dbraw/zinc/40/94/81/285409481.db2.gz VHPHESYILJQPFV-UHFFFAOYSA-N 0 0 251.314 3.324 50 5 CGBARN C[C@@H](OC(=O)/C=C\c1ccccc1[N+](=O)[O-])c1ccncc1 ZINC000104166636 397650110 /nfs/dbraw/zinc/65/01/10/397650110.db2.gz BHQVWYHUJGOTMT-ZHRWSRJISA-N 0 0 298.298 3.307 50 5 CGBARN O=C1Nc2cc(Cl)ccc2/C1=C\c1ccc([N+](=O)[O-])o1 ZINC000105404729 397651343 /nfs/dbraw/zinc/65/13/43/397651343.db2.gz AJSIPWXPVGYAON-UXBLZVDNSA-N 0 0 290.662 3.334 50 5 CGBARN Cc1n[nH]c(C)c1CCCCOc1ccc([N+](=O)[O-])cc1 ZINC000002885570 169841748 /nfs/dbraw/zinc/84/17/48/169841748.db2.gz RISPFKNYFJNVKZ-UHFFFAOYSA-N 0 0 289.335 3.336 50 5 CGBARN Cc1ccc(NC(=O)OC2CCCC2)c([N+](=O)[O-])c1 ZINC000004799897 170019152 /nfs/dbraw/zinc/01/91/52/170019152.db2.gz ROHWNPCBNLMKAD-UHFFFAOYSA-N 0 0 264.281 3.394 50 5 CGBARN Cc1ccc(NC(=O)OCc2ccco2)c([N+](=O)[O-])c1 ZINC000004799804 170019374 /nfs/dbraw/zinc/01/93/74/170019374.db2.gz MNZDNFSNXQUGLH-UHFFFAOYSA-N 0 0 276.248 3.245 50 5 CGBARN CCc1ccc(C(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000004841677 170028198 /nfs/dbraw/zinc/02/81/98/170028198.db2.gz IDEKSGGCRVARDP-UHFFFAOYSA-N 0 0 270.288 3.410 50 5 CGBARN CCCCC[C@H](C)NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000007781205 170302303 /nfs/dbraw/zinc/30/23/03/170302303.db2.gz YLKDIBMSPSTOJG-VIFPVBQESA-N 0 0 270.354 3.355 50 5 CGBARN Cc1c(NC(=O)Cc2ccccc2F)cccc1[N+](=O)[O-] ZINC000012775841 170509527 /nfs/dbraw/zinc/50/95/27/170509527.db2.gz MDBSRSWXCOSHRN-UHFFFAOYSA-N 0 0 288.278 3.224 50 5 CGBARN O=[N+]([O-])c1cccnc1NCc1ccc(Cl)cc1 ZINC000020135268 171022565 /nfs/dbraw/zinc/02/25/65/171022565.db2.gz QJOVPRXBSUNPRO-UHFFFAOYSA-N 0 0 263.684 3.255 50 5 CGBARN C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)C[C@@H]1C=CCC1 ZINC000032748289 171747762 /nfs/dbraw/zinc/74/77/62/171747762.db2.gz YDVYKFHJGZWLOR-QWHCGFSZSA-N 0 0 288.347 3.471 50 5 CGBARN O=[N+]([O-])c1cccc(OCCOc2cccnc2Cl)c1 ZINC000078791450 177388765 /nfs/dbraw/zinc/38/87/65/177388765.db2.gz OHYBPOICTXZYCB-UHFFFAOYSA-N 0 0 294.694 3.101 50 5 CGBARN CC(=O)Nc1cc2c(cc1[N+](=O)[O-])oc1ccccc12 ZINC000034924933 275488701 /nfs/dbraw/zinc/48/87/01/275488701.db2.gz NLPYRTDNEMYVHY-UHFFFAOYSA-N 0 0 270.244 3.453 50 5 CGBARN CC(C)CN1C(=O)c2cccc3cc([N+](=O)[O-])cc(c32)C1=O ZINC000004902767 275569527 /nfs/dbraw/zinc/56/95/27/275569527.db2.gz QISLCBRDGXBHCO-UHFFFAOYSA-N 0 0 298.298 3.000 50 5 CGBARN CC[C@@H]1CCCCN1C(=O)c1cccc([N+](=O)[O-])c1C ZINC000000231409 280246446 /nfs/dbraw/zinc/24/64/46/280246446.db2.gz XDPDMMLKYXDWFN-GFCCVEGCSA-N 0 0 276.336 3.308 50 5 CGBARN O=[N+]([O-])c1cc(Br)ccc1Br ZINC000002166805 280355897 /nfs/dbraw/zinc/35/58/97/280355897.db2.gz WRGKKASJBOREMB-UHFFFAOYSA-N 0 0 280.903 3.120 50 5 CGBARN O=[N+]([O-])c1cccc2c(I)cccc21 ZINC000000061500 280373106 /nfs/dbraw/zinc/37/31/06/280373106.db2.gz UDBGBAQMJJEQQN-UHFFFAOYSA-N 0 0 299.067 3.353 50 5 CGBARN CC(C)c1onc(C(=O)N2[C@H](C)CCC[C@H]2C)c1[N+](=O)[O-] ZINC000004937568 280739407 /nfs/dbraw/zinc/73/94/07/280739407.db2.gz MKBBHXUZQCSDIT-NXEZZACHSA-N 0 0 295.339 3.109 50 5 CGBARN COC(=O)Nc1ccc(C(C)(C)C)cc1[N+](=O)[O-] ZINC000004257918 534186704 /nfs/dbraw/zinc/18/67/04/534186704.db2.gz IBMCKWILJIGJKJ-UHFFFAOYSA-N 0 0 252.270 3.071 50 5 CGBARN O=[N+]([O-])c1ccc(S(=O)(=O)/C=C\c2ccccc2)cc1 ZINC000096891475 640843658 /nfs/dbraw/zinc/84/36/58/640843658.db2.gz UTFUXBJSDKZRSI-KHPPLWFESA-N 0 0 289.312 3.039 50 5 CGBARN O=[N+]([O-])c1ccc([O-])cc1C[NH+]1CCCCCCC1 ZINC000000213503 640918624 /nfs/dbraw/zinc/91/86/24/640918624.db2.gz NDCCNIDIXGNHQO-UHFFFAOYSA-N 0 0 264.325 3.067 50 5 CGBARN COC(=O)c1ccccc1-c1ccc([N+](=O)[O-])cc1 ZINC000022205224 344894957 /nfs/dbraw/zinc/89/49/57/344894957.db2.gz CYBLJNYBCGAOFJ-UHFFFAOYSA-N 0 0 257.245 3.048 50 5 CGBARN CCOc1cc(C)c([N+](=O)[O-])cc1Br ZINC000095628523 345900095 /nfs/dbraw/zinc/90/00/95/345900095.db2.gz OVBXILXQAWFPCM-UHFFFAOYSA-N 0 0 260.087 3.064 50 5 CGBARN Cc1c(Br)ccc(OCC(F)F)c1[N+](=O)[O-] ZINC000606304485 348174197 /nfs/dbraw/zinc/17/41/97/348174197.db2.gz JSXZPDDQZQMDPZ-UHFFFAOYSA-N 0 0 296.067 3.310 50 5 CGBARN CCOC(=O)/C=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000000235683 368320692 /nfs/dbraw/zinc/32/06/92/368320692.db2.gz BLYZNKPUPAPFOU-CSKARUKUSA-N 0 0 287.271 3.431 50 5 CGBARN Cc1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1F ZINC000000038911 368274039 /nfs/dbraw/zinc/27/40/39/368274039.db2.gz DMIQLUQEGITFHE-UHFFFAOYSA-N 0 0 274.251 3.295 50 5 CGBARN O=[N+]([O-])c1ccc(Oc2ccc(Cl)cc2)nc1 ZINC000000166322 368307303 /nfs/dbraw/zinc/30/73/03/368307303.db2.gz ZQVHTTABFLHMPA-UHFFFAOYSA-N 0 0 250.641 3.436 50 5 CGBARN O=C(CCNc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000000446424 368369266 /nfs/dbraw/zinc/36/92/66/368369266.db2.gz HZWOIIAHZHTTNX-UHFFFAOYSA-N 0 0 270.288 3.280 50 5 CGBARN Cc1cccc(C(=O)NC2CCCCCC2)c1[N+](=O)[O-] ZINC000000463113 368372049 /nfs/dbraw/zinc/37/20/49/368372049.db2.gz HXFDVDPVKJVOEV-UHFFFAOYSA-N 0 0 276.336 3.356 50 5 CGBARN CCc1cccc(NC(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000000461269 368372151 /nfs/dbraw/zinc/37/21/51/368372151.db2.gz UFIJPVPQPQONTH-UHFFFAOYSA-N 0 0 270.288 3.410 50 5 CGBARN COc1ccc([N+](=O)[O-])cc1NC(=O)Nc1ccccc1 ZINC000000358207 368346661 /nfs/dbraw/zinc/34/66/61/368346661.db2.gz RRTMMOJLZVSKHN-UHFFFAOYSA-N 0 0 287.275 3.247 50 5 CGBARN Cc1cccc(C(=O)Oc2ccccc2[N+](=O)[O-])c1 ZINC000000358436 368347321 /nfs/dbraw/zinc/34/73/21/368347321.db2.gz FCSPFCCVCHCVJE-UHFFFAOYSA-N 0 0 257.245 3.122 50 5 CGBARN Cc1ccc(F)c(NC(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000000376339 368351963 /nfs/dbraw/zinc/35/19/63/368351963.db2.gz KZBFCFHPQSYDQQ-UHFFFAOYSA-N 0 0 274.251 3.295 50 5 CGBARN O=[N+]([O-])c1ccc([C@@H]2NN=C(Cc3ccccc3)S2)cc1 ZINC000000432399 368364807 /nfs/dbraw/zinc/36/48/07/368364807.db2.gz WBUDSFZVSCFEFR-OAHLLOKOSA-N 0 0 299.355 3.486 50 5 CGBARN O=C1C=C/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)O1 ZINC000000499814 368380045 /nfs/dbraw/zinc/38/00/45/368380045.db2.gz FXHXEYQIZFOJAA-PKNBQFBNSA-N 0 0 283.239 3.309 50 5 CGBARN C[C@@H](C(=O)NCc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000000579946 368390156 /nfs/dbraw/zinc/39/01/56/368390156.db2.gz AGCQNDIKGISYDP-GFCCVEGCSA-N 0 0 284.315 3.015 50 5 CGBARN Cc1cc([N+](=O)[O-])nn1Cc1ccc(Cl)cc1Cl ZINC000001426318 368413196 /nfs/dbraw/zinc/41/31/96/368413196.db2.gz IJSXGDZPWWDRQM-UHFFFAOYSA-N 0 0 286.118 3.455 50 5 CGBARN NC(=O)c1ccccc1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000003340019 368502660 /nfs/dbraw/zinc/50/26/60/368502660.db2.gz HLQVMXOUAZFUHZ-UHFFFAOYSA-N 0 0 292.678 3.139 50 5 CGBARN CCOc1ccc([N+](=O)[O-])cc1N1Cc2ccccc2C1=N ZINC000003165165 368495466 /nfs/dbraw/zinc/49/54/66/368495466.db2.gz HOEXTFAECPUTLC-UHFFFAOYSA-N 0 0 297.314 3.339 50 5 CGBARN CC(=O)c1ccc(Nc2c3nonc3ccc2[N+](=O)[O-])cc1 ZINC000003904290 368523121 /nfs/dbraw/zinc/52/31/21/368523121.db2.gz QZXFPHYLXFBNQN-UHFFFAOYSA-N 0 0 298.258 3.077 50 5 CGBARN COc1ccc(/C=C/C(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000003958793 368524425 /nfs/dbraw/zinc/52/44/25/368524425.db2.gz HNOXMXZRIMDSIC-DHZHZOJOSA-N 0 0 298.298 3.255 50 5 biogenic CGBARN O=C(Nc1ccccc1[N+](=O)[O-])c1c(F)cccc1F ZINC000003998051 368526103 /nfs/dbraw/zinc/52/61/03/368526103.db2.gz RVVBCZDWPHKYNH-UHFFFAOYSA-N 0 0 278.214 3.125 50 5 CGBARN CN(C(=O)/C=C/c1ccc([N+](=O)[O-])s1)c1ccccc1 ZINC000004078808 368529856 /nfs/dbraw/zinc/52/98/56/368529856.db2.gz LSVNVLOIUFOODK-VQHVLOKHSA-N 0 0 288.328 3.333 50 5 CGBARN CC(=O)c1ccc(Nc2ccc([N+](=O)[O-])c3nonc32)cc1 ZINC000004126589 368532238 /nfs/dbraw/zinc/53/22/38/368532238.db2.gz NNZITHGHYHQLAI-UHFFFAOYSA-N 0 0 298.258 3.077 50 5 CGBARN O=C(/C=C/c1ccccc1[N+](=O)[O-])n1cnc2ccccc21 ZINC000004680352 368556343 /nfs/dbraw/zinc/55/63/43/368556343.db2.gz SSXBNTYPZRWHPC-MDZDMXLPSA-N 0 0 293.282 3.298 50 5 CGBARN O=[N+]([O-])c1cc(CSc2ccccn2)cc([N+](=O)[O-])c1 ZINC000004343562 368543738 /nfs/dbraw/zinc/54/37/38/368543738.db2.gz OCOKWFMTTDFWLT-UHFFFAOYSA-N 0 0 291.288 3.190 50 5 CGBARN C[C@@H]1C[C@H](C)CN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000012417498 368612947 /nfs/dbraw/zinc/61/29/47/368612947.db2.gz LJVWVOJPPPDGSV-AOOOYVTPSA-N 0 0 296.754 3.366 50 5 CGBARN Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])o2)c(Cl)c1 ZINC000012773701 368626546 /nfs/dbraw/zinc/62/65/46/368626546.db2.gz IBJCXQLCVHOOKW-UHFFFAOYSA-N 0 0 280.667 3.402 50 5 CGBARN O=[N+]([O-])c1ccc(/C=C/[S@@](=O)c2ccccc2)cc1 ZINC000017111319 368727219 /nfs/dbraw/zinc/72/72/19/368727219.db2.gz HEABPNKZQVICOM-VYENPZKTSA-N 0 0 273.313 3.373 50 5 CGBARN C[C@@H]1C[C@H](C)CN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C1 ZINC000016225854 368710346 /nfs/dbraw/zinc/71/03/46/368710346.db2.gz HMBWCLZWWZMIHT-CZXYNIEVSA-N 0 0 288.347 3.113 50 5 CGBARN O=[N+]([O-])c1ccc(NCCSc2ccccc2)nc1 ZINC000019874168 368773998 /nfs/dbraw/zinc/77/39/98/368773998.db2.gz ZJSLRAVVMURKLA-UHFFFAOYSA-N 0 0 275.333 3.194 50 5 CGBARN CCc1ccc(NC(=O)[C@H](C)CC)cc1[N+](=O)[O-] ZINC000027311007 368870052 /nfs/dbraw/zinc/87/00/52/368870052.db2.gz GPINTXPRGDAKQX-SECBINFHSA-N 0 0 250.298 3.142 50 5 CGBARN O=[N+]([O-])c1ncccc1OCc1cc(F)cc2cccnc21 ZINC000031613389 368915421 /nfs/dbraw/zinc/91/54/21/368915421.db2.gz HPPJTTQLACWTFB-UHFFFAOYSA-N 0 0 299.261 3.256 50 5 CGBARN O=Cc1cc([N+](=O)[O-])ccc1Oc1ccc(F)cc1 ZINC000034938843 368980352 /nfs/dbraw/zinc/98/03/52/368980352.db2.gz ZOCQHKAJESMYCN-UHFFFAOYSA-N 0 0 261.208 3.339 50 5 CGBARN Cc1cnc(NC(=O)/C=C\c2cccc([N+](=O)[O-])c2)s1 ZINC000033318537 368962255 /nfs/dbraw/zinc/96/22/55/368962255.db2.gz ZJGTXZUBQNSTEW-WAYWQWQTSA-N 0 0 289.316 3.012 50 5 CGBARN Cc1ccc(C(=O)COc2ccc([N+](=O)[O-])cc2F)s1 ZINC000037991086 369135280 /nfs/dbraw/zinc/13/52/80/369135280.db2.gz PRYUWXBCEYEBTA-UHFFFAOYSA-N 0 0 295.291 3.366 50 5 CGBARN COc1cc([N+](=O)[O-])c(-n2cccc2)cc1Cl ZINC000052508172 369469370 /nfs/dbraw/zinc/46/93/70/369469370.db2.gz ILFYGBJSMQIDFB-UHFFFAOYSA-N 0 0 252.657 3.048 50 5 CGBARN C[C@@H](c1ccco1)N(C(=O)c1ccc([N+](=O)[O-])o1)C1CC1 ZINC000056181403 369524575 /nfs/dbraw/zinc/52/45/75/369524575.db2.gz CQWLBNVUWKPCJQ-VIFPVBQESA-N 0 0 290.275 3.147 50 5 CGBARN Cc1nc(NC(=O)[C@H](C)c2cccs2)ccc1[N+](=O)[O-] ZINC000089536959 370042051 /nfs/dbraw/zinc/04/20/51/370042051.db2.gz AKFAHWFFTSCCOU-MRVPVSSYSA-N 0 0 291.332 3.102 50 5 CGBARN C[C@H](CCO)C1(CNc2ccccc2[N+](=O)[O-])CCC1 ZINC000095463010 370197959 /nfs/dbraw/zinc/19/79/59/370197959.db2.gz OLONBPWGQRFQEI-GFCCVEGCSA-N 0 0 278.352 3.196 50 5 CGBARN O=[N+]([O-])c1ccccc1N[C@@H](CCO)c1ccccc1 ZINC000097756624 370251825 /nfs/dbraw/zinc/25/18/25/370251825.db2.gz VCKXJSHFFGFJPE-ZDUSSCGKSA-N 0 0 272.304 3.130 50 5 CGBARN CCc1ncnc(Oc2cc(C)c([N+](=O)[O-])cc2F)c1F ZINC000302404010 373864010 /nfs/dbraw/zinc/86/40/10/373864010.db2.gz HHGGAMBMYLDREF-UHFFFAOYSA-N 0 0 295.245 3.326 50 5 CGBARN C[C@H](Nc1cc(N)ccc1[N+](=O)[O-])[C@@H]1COc2ccccc21 ZINC000193487834 375886577 /nfs/dbraw/zinc/88/65/77/375886577.db2.gz IVRQMSJLISFNCG-GWCFXTLKSA-N 0 0 299.330 3.154 50 5 CGBARN O=[N+]([O-])c1cc(F)c(Br)c(OC(F)F)c1 ZINC000263625021 190071117 /nfs/dbraw/zinc/07/11/17/190071117.db2.gz WBOSNTDDYSDAJB-UHFFFAOYSA-N 0 0 286.003 3.098 50 5 CGBARN O=[N+]([O-])c1cccnc1N1CC[C@@H]2CCCC[C@H]2C1 ZINC000245228097 376801391 /nfs/dbraw/zinc/80/13/91/376801391.db2.gz DBMUSVAVJRUCDD-RYUDHWBXSA-N 0 0 261.325 3.006 50 5 CGBARN O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CCCC1 ZINC000000189291 284626265 /nfs/dbraw/zinc/62/62/65/284626265.db2.gz WICSMAUKIUZQOM-UHFFFAOYSA-N 0 0 276.317 3.046 50 5 CGBARN C[C@H](CCc1ccccc1)NC(=O)c1ccccc1[N+](=O)[O-] ZINC000000454761 169644896 /nfs/dbraw/zinc/64/48/96/169644896.db2.gz XICOIGOYGLGAKZ-CYBMUJFWSA-N 0 0 298.342 3.346 50 5 CGBARN CCC(CC)NC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000000456104 169644974 /nfs/dbraw/zinc/64/49/74/169644974.db2.gz HVCWLJVLUHTZSJ-UHFFFAOYSA-N 0 0 270.716 3.167 50 5 CGBARN O=[N+]([O-])c1cc(C(F)(F)F)ccc1-n1cc(Cl)cn1 ZINC000022637655 285085275 /nfs/dbraw/zinc/08/52/75/285085275.db2.gz WJUKSGKJEJDTEZ-UHFFFAOYSA-N 0 0 291.616 3.453 50 5 CGBARN O=[N+]([O-])c1ccc(C2=NN[C@H](c3ccc(F)cc3)C2)cc1 ZINC000000446305 285109923 /nfs/dbraw/zinc/10/99/23/285109923.db2.gz PRKXTZZCVZYYQE-AWEZNQCLSA-N 0 0 285.278 3.173 50 5 CGBARN O=[N+]([O-])c1ccc2[nH]c(-c3ccc(F)c(F)c3)nc2c1 ZINC000097758913 285147934 /nfs/dbraw/zinc/14/79/34/285147934.db2.gz ARMYKGHAFWDDJM-UHFFFAOYSA-N 0 0 275.214 3.416 50 5 CGBARN Cc1cc(-c2nc(-c3ccccn3)no2)ccc1[N+](=O)[O-] ZINC000000535383 169664078 /nfs/dbraw/zinc/66/40/78/169664078.db2.gz KPDYUDLHNNDWFY-UHFFFAOYSA-N 0 0 282.259 3.015 50 5 CGBARN O=[N+]([O-])c1ccc(F)c(F)c1OC(F)(F)Cl ZINC000095215409 184947381 /nfs/dbraw/zinc/94/73/81/184947381.db2.gz SPRMRPFTEBRQKF-UHFFFAOYSA-N 0 0 259.542 3.041 50 5 CGBARN O=[N+]([O-])c1ccc(/C=C/c2ccnnc2)cc1Cl ZINC000097164173 392261672 /nfs/dbraw/zinc/26/16/72/392261672.db2.gz ZPWPCYOTSKKWIP-OWOJBTEDSA-N 0 0 261.668 3.209 50 5 CGBARN CC(C)N(C)C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000175105357 392648481 /nfs/dbraw/zinc/64/84/81/392648481.db2.gz VADCZKVUYRNQRA-UHFFFAOYSA-N 0 0 290.241 3.094 50 5 CGBARN Cn1ccnc1/C=C\c1ccc2c(cccc2[N+](=O)[O-])n1 ZINC000103907822 397649508 /nfs/dbraw/zinc/64/95/08/397649508.db2.gz MBKWBGQRXHWYPA-VURMDHGXSA-N 0 0 280.287 3.047 50 5 CGBARN CCCCCC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000002088092 169774250 /nfs/dbraw/zinc/77/42/50/169774250.db2.gz VWAWNTWOZUARKP-UHFFFAOYSA-N 0 0 250.298 3.422 50 5 CGBARN COc1cccc(C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c1 ZINC000004154752 169938658 /nfs/dbraw/zinc/93/86/58/169938658.db2.gz VRRFUDMMPSGDSM-UHFFFAOYSA-N 0 0 286.287 3.164 50 5 CGBARN C[C@@H]1CCC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC000004679792 169997333 /nfs/dbraw/zinc/99/73/33/169997333.db2.gz YNVAQOXIURTABG-JTNHKYCSSA-N 0 0 276.336 3.149 50 5 CGBARN CC[C@H](Cc1ccccc1)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000004825665 170024314 /nfs/dbraw/zinc/02/43/14/170024314.db2.gz XBBQPLXNHHQNQE-OAHLLOKOSA-N 0 0 298.342 3.346 50 5 CGBARN COc1cc(C[NH+]2CCCCCCC2)cc([N+](=O)[O-])c1[O-] ZINC000004978632 170048065 /nfs/dbraw/zinc/04/80/65/170048065.db2.gz KWWILLJKNAEEQW-UHFFFAOYSA-N 0 0 294.351 3.075 50 5 CGBARN Cc1cc([N+](=O)[O-])ccc1NC(=O)C(Cl)(Cl)Cl ZINC000005102887 170066476 /nfs/dbraw/zinc/06/64/76/170066476.db2.gz WOAYPPMWLLOUHX-UHFFFAOYSA-N 0 0 297.525 3.212 50 5 CGBARN COc1cccc(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000005618336 170120700 /nfs/dbraw/zinc/12/07/00/170120700.db2.gz YDOGJORWLCFCFI-UHFFFAOYSA-N 0 0 286.287 3.164 50 5 CGBARN C[C@@H]1CCC[C@@H](NC(=O)OCc2ccc([N+](=O)[O-])cc2)C1 ZINC000005672787 170126867 /nfs/dbraw/zinc/12/68/67/170126867.db2.gz YSXYPPBKFNCCQB-DGCLKSJQSA-N 0 0 292.335 3.400 50 5 CGBARN CCC(=O)OCc1cc(=O)oc2ccc3ccccc3c12 ZINC000006011040 170168469 /nfs/dbraw/zinc/16/84/69/170168469.db2.gz UQPGRLJUCKUOIR-UHFFFAOYSA-N 0 0 282.295 3.399 50 5 CGBARN Cc1c(NC(=O)c2ccc3[nH]cnc3c2)cccc1[N+](=O)[O-] ZINC000012525606 170493028 /nfs/dbraw/zinc/49/30/28/170493028.db2.gz ZWTXENJLCREJHV-UHFFFAOYSA-N 0 0 296.286 3.032 50 5 CGBARN O=[N+]([O-])c1ccccc1C1N=NC(=S)N1c1ccccc1 ZINC000016049354 170686473 /nfs/dbraw/zinc/68/64/73/170686473.db2.gz YIYIJUKYKCHNIP-UHFFFAOYSA-N 0 0 298.327 3.131 50 5 CGBARN O=C(Oc1cccc([N+](=O)[O-])c1)[C@@H]1C[C@H]1c1ccccc1 ZINC000022016086 171349653 /nfs/dbraw/zinc/34/96/53/171349653.db2.gz FFVUCQIKJLGTJL-LSDHHAIUSA-N 0 0 283.283 3.304 50 5 CGBARN Cc1cc(COc2ccc(Cl)cc2[N+](=O)[O-])on1 ZINC000024416658 171435006 /nfs/dbraw/zinc/43/50/06/171435006.db2.gz AFPCUCZPUOUERT-UHFFFAOYSA-N 0 0 268.656 3.124 50 5 CGBARN O=[N+]([O-])c1ccc2[nH]c(C(F)(F)C(F)(F)F)nc2c1 ZINC000072265953 176352008 /nfs/dbraw/zinc/35/20/08/176352008.db2.gz JEOWEMPCQGMUDQ-UHFFFAOYSA-N 0 0 281.140 3.125 50 5 CGBARN CC[C@H](Cc1ccccc1)N(C)c1ccc([N+](=O)[O-])cn1 ZINC000076061192 176895270 /nfs/dbraw/zinc/89/52/70/176895270.db2.gz OZUCMCZUTTVGJY-CQSZACIVSA-N 0 0 285.347 3.447 50 5 CGBARN Cc1nccn1Cc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000095990951 274862692 /nfs/dbraw/zinc/86/26/92/274862692.db2.gz FBESLFATFWPRTL-UHFFFAOYSA-N 0 0 285.225 3.167 50 5 CGBARN CC(C)(C)OC(=O)n1c2ccc(F)cc2cc1[N+](=O)[O-] ZINC000261493695 275523931 /nfs/dbraw/zinc/52/39/31/275523931.db2.gz HFUYMGABEWMRPK-UHFFFAOYSA-N 0 0 280.255 3.472 50 5 CGBARN CC(=O)Oc1c2ccccc2cc2c(O)ccc(O)c21 ZINC000000401300 275799309 /nfs/dbraw/zinc/79/93/09/275799309.db2.gz NDAGZRMDFJYPLO-UHFFFAOYSA-N 0 0 268.268 3.330 50 5 CGBARN COc1cc2nc3ccccc3cc2cc1[N+](=O)[O-] ZINC000096191717 277858439 /nfs/dbraw/zinc/85/84/39/277858439.db2.gz LVJOFYHVGZETKU-UHFFFAOYSA-N 0 0 254.245 3.305 50 5 CGBARN C[C@H]1CCCN(c2cc(N(C)C)c([N+](=O)[O-])cc2F)C1 ZINC000004300025 278343844 /nfs/dbraw/zinc/34/38/44/278343844.db2.gz YGOFPKSTSOPTPT-JTQLQIEISA-N 0 0 281.331 3.036 50 5 CGBARN O=[N+]([O-])c1cc(F)ccc1OC(Cl)(Cl)Cl ZINC000095215616 280360942 /nfs/dbraw/zinc/36/09/42/280360942.db2.gz NJOAACQTCGEKIG-UHFFFAOYSA-N 0 0 274.462 3.440 50 5 CGBARN Cc1ccc(C(=O)OCc2cccc(F)c2)cc1[N+](=O)[O-] ZINC000001078926 333005720 /nfs/dbraw/zinc/00/57/20/333005720.db2.gz BIZPLPHWKBTBHY-UHFFFAOYSA-N 0 0 289.262 3.399 50 5 CGBARN CC(=O)Nc1ccccc1-c1ccc([N+](=O)[O-])cc1 ZINC000001873172 344856474 /nfs/dbraw/zinc/85/64/74/344856474.db2.gz ROUICBNLSUUKKX-UHFFFAOYSA-N 0 0 256.261 3.220 50 5 CGBARN O=[N+]([O-])c1cccnc1NC[C@@H]1CCO[C@H]1c1ccccc1 ZINC000078357166 345603002 /nfs/dbraw/zinc/60/30/02/345603002.db2.gz HWNQVNOITYUQKP-ZFWWWQNUSA-N 0 0 299.330 3.180 50 5 CGBARN O=[N+]([O-])c1ccc(Nc2cnn(CC(F)(F)F)c2)cc1 ZINC000091484239 345816729 /nfs/dbraw/zinc/81/67/29/345816729.db2.gz VARPGTWKMDBNSS-UHFFFAOYSA-N 0 0 286.213 3.097 50 5 CGBARN O=[N+]([O-])c1ccc2nc(C(F)(F)F)nc(Cl)c2c1 ZINC000165725768 346184908 /nfs/dbraw/zinc/18/49/08/346184908.db2.gz OGEXCCWKEFZZMB-UHFFFAOYSA-N 0 0 277.589 3.210 50 5 CGBARN CCCCCNC(=O)c1c(F)c(C)cc([N+](=O)[O-])c1F ZINC000313196877 346479247 /nfs/dbraw/zinc/47/92/47/346479247.db2.gz XYURGVHBYZDHBD-UHFFFAOYSA-N 0 0 286.278 3.101 50 5 CGBARN Cc1cccc(OC(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000000038467 368274253 /nfs/dbraw/zinc/27/42/53/368274253.db2.gz WIBCITOJDNRTAD-UHFFFAOYSA-N 0 0 257.245 3.122 50 5 CGBARN O=C(Cc1ccc([N+](=O)[O-])cc1)NC1CCCCCCC1 ZINC000000075392 368283093 /nfs/dbraw/zinc/28/30/93/368283093.db2.gz HPMTYFVWXRMHNF-UHFFFAOYSA-N 0 0 290.363 3.366 50 5 CGBARN Cc1c(-c2nc(-c3ccncc3)no2)cccc1[N+](=O)[O-] ZINC000000078902 368283919 /nfs/dbraw/zinc/28/39/19/368283919.db2.gz VKBWVLLOQQREGN-UHFFFAOYSA-N 0 0 282.259 3.015 50 5 CGBARN Cc1ccc2ncnc(Oc3ncccc3[N+](=O)[O-])c2c1 ZINC000000078970 368284037 /nfs/dbraw/zinc/28/40/37/368284037.db2.gz QDMUXDRMXGMWJX-UHFFFAOYSA-N 0 0 282.259 3.034 50 5 CGBARN Cc1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1C ZINC000000101927 368289426 /nfs/dbraw/zinc/28/94/26/368289426.db2.gz KUXBJIXXVRBBIY-UHFFFAOYSA-N 0 0 270.288 3.464 50 5 CGBARN Cc1nc([N+](=O)[O-])cn1Cc1cccc(C(F)(F)F)c1 ZINC000000170625 368308426 /nfs/dbraw/zinc/30/84/26/368308426.db2.gz ZUGVNQCZDGMJOC-UHFFFAOYSA-N 0 0 285.225 3.167 50 5 CGBARN Cc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000000187149 368312003 /nfs/dbraw/zinc/31/20/03/368312003.db2.gz OJZGTNXZLKZWDC-UHFFFAOYSA-N 0 0 256.261 3.156 50 5 CGBARN Cc1ccc2nc(-c3ccc([N+](=O)[O-])cc3)cn2c1 ZINC000000197817 368312380 /nfs/dbraw/zinc/31/23/80/368312380.db2.gz PCHSIVKWNPZZPW-UHFFFAOYSA-N 0 0 253.261 3.218 50 5 CGBARN CCC(CC)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000000453166 368369351 /nfs/dbraw/zinc/36/93/51/368369351.db2.gz MKAYHCWMWDVRHU-UHFFFAOYSA-N 0 0 250.298 3.278 50 5 CGBARN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccccc1 ZINC000000262055 368326993 /nfs/dbraw/zinc/32/69/93/368326993.db2.gz ZVHMVWZNUNXORH-DHZHZOJOSA-N 0 0 268.272 3.247 50 5 CGBARN O=C(Nc1ccccc1)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000000376145 368351419 /nfs/dbraw/zinc/35/14/19/368351419.db2.gz TYXHXDUVLPEMCT-UHFFFAOYSA-N 0 0 275.239 3.378 50 5 CGBARN CC(=O)c1ccc(NC(=O)c2cccc(C)c2[N+](=O)[O-])cc1 ZINC000000464741 368372784 /nfs/dbraw/zinc/37/27/84/368372784.db2.gz PRYHITQXOITDDF-UHFFFAOYSA-N 0 0 298.298 3.358 50 5 CGBARN CC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000003339301 368503346 /nfs/dbraw/zinc/50/33/46/368503346.db2.gz WLWWRASURDMOAH-UHFFFAOYSA-N 0 0 290.300 3.111 50 5 CGBARN CCOP(=O)(OCC)[C@@H](C[N+](=O)[O-])c1ccccc1 ZINC000003011992 368487932 /nfs/dbraw/zinc/48/79/32/368487932.db2.gz IVURFUDNUSBKNB-LBPRGKRZSA-N 0 0 287.252 3.271 50 5 CGBARN CCCCCNc1c2ccccc2oc(=O)c1[N+](=O)[O-] ZINC000003895938 368522925 /nfs/dbraw/zinc/52/29/25/368522925.db2.gz FFINZIBGHYIICK-UHFFFAOYSA-N 0 0 276.292 3.303 50 5 CGBARN C[C@H]1CCCN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000004010536 368526211 /nfs/dbraw/zinc/52/62/11/368526211.db2.gz FWMDTGBFOQCZFU-VIFPVBQESA-N 0 0 282.727 3.120 50 5 CGBARN O=C(/C=C/c1cccc([N+](=O)[O-])c1)n1cnc2ccccc21 ZINC000004032119 368528650 /nfs/dbraw/zinc/52/86/50/368528650.db2.gz VYEZXHFIAHYAAP-CMDGGOBGSA-N 0 0 293.282 3.298 50 5 CGBARN O=C(Nc1ccc2ncccc2c1)c1cccc([N+](=O)[O-])c1 ZINC000003879179 368522385 /nfs/dbraw/zinc/52/23/85/368522385.db2.gz XCZNTRPZLQWNIZ-UHFFFAOYSA-N 0 0 293.282 3.395 50 5 CGBARN O=C(NCc1ccccc1Cl)c1ccc([N+](=O)[O-])s1 ZINC000014128813 368675224 /nfs/dbraw/zinc/67/52/24/368675224.db2.gz JDBZLJVOCBKKRY-UHFFFAOYSA-N 0 0 296.735 3.240 50 5 CGBARN Cc1ccc(Nc2nc(Cl)cc(N)c2[N+](=O)[O-])cc1 ZINC000019796806 368767701 /nfs/dbraw/zinc/76/77/01/368767701.db2.gz HRDDAJOWKFMRFI-UHFFFAOYSA-N 0 0 278.699 3.277 50 5 CGBARN C[C@@H](Nc1ccc([N+](=O)[O-])cn1)c1cccc(F)c1 ZINC000042293874 369209914 /nfs/dbraw/zinc/20/99/14/369209914.db2.gz RZJSIXBPCABRJR-SECBINFHSA-N 0 0 261.256 3.302 50 5 CGBARN Cc1c(OCc2nc(CC(C)C)no2)cccc1[N+](=O)[O-] ZINC000047355395 369314205 /nfs/dbraw/zinc/31/42/05/369314205.db2.gz YODREJAXRITHDF-UHFFFAOYSA-N 0 0 291.307 3.064 50 5 CGBARN Cc1cnc(CN(Cc2ccc([N+](=O)[O-])cc2)C2CC2)o1 ZINC000130220540 371017940 /nfs/dbraw/zinc/01/79/40/371017940.db2.gz VMBWWDPYRVPFEE-UHFFFAOYSA-N 0 0 287.319 3.056 50 5 CGBARN CCCC(=O)Nc1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000334160712 374652235 /nfs/dbraw/zinc/65/22/35/374652235.db2.gz KUWIQMWMLICVLG-UHFFFAOYSA-N 0 0 291.351 3.324 50 5 CGBARN CCOc1cc(CSC2=NCCS2)ccc1[N+](=O)[O-] ZINC000276864446 379010555 /nfs/dbraw/zinc/01/05/55/379010555.db2.gz GUTOMWOLIWMGAF-UHFFFAOYSA-N 0 0 298.389 3.330 50 5 CGBARN Cc1c(C(=O)N2CCc3ccccc3C2)cccc1[N+](=O)[O-] ZINC000000267075 169592355 /nfs/dbraw/zinc/59/23/55/169592355.db2.gz HMPKWPGYYQUZJP-UHFFFAOYSA-N 0 0 296.326 3.102 50 5 CGBARN Cc1ccc([N+](=O)[O-])c(OCCn2cnc3ccccc32)c1 ZINC000000527718 169662497 /nfs/dbraw/zinc/66/24/97/169662497.db2.gz KSKVYULUSQWCAH-UHFFFAOYSA-N 0 0 297.314 3.332 50 5 CGBARN O=C1NC(=S)SC1=CC=Cc1ccc([N+](=O)[O-])cc1 ZINC000001227821 285108321 /nfs/dbraw/zinc/10/83/21/285108321.db2.gz GRHQEUZTGAMGES-XZMAOYBGSA-N 0 0 292.341 3.480 50 5 CGBARN COc1cc([N+](=O)[O-])ccc1NC(=O)C1CCCCC1 ZINC000004072484 533138207 /nfs/dbraw/zinc/13/82/07/533138207.db2.gz JXAISQWGIGVECY-UHFFFAOYSA-N 0 0 278.308 3.122 50 5 CGBARN COc1cc([N+](=O)[O-])ccc1NC(=O)c1cccc(C)c1 ZINC000004070849 533142752 /nfs/dbraw/zinc/14/27/52/533142752.db2.gz SJRQDHIOZONYMV-UHFFFAOYSA-N 0 0 286.287 3.164 50 5 CGBARN Cc1cc(Oc2ncnc(N)c2[N+](=O)[O-])ccc1C(C)C ZINC000003912748 391918569 /nfs/dbraw/zinc/91/85/69/391918569.db2.gz UAHQDODGRQQGBN-UHFFFAOYSA-N 0 0 288.307 3.191 50 5 CGBARN CC(C)(C)OC(=O)n1ccc2cc([N+](=O)[O-])ccc21 ZINC000038235859 391981655 /nfs/dbraw/zinc/98/16/55/391981655.db2.gz GSHXPDVMVVLYLH-UHFFFAOYSA-N 0 0 262.265 3.333 50 5 CGBARN CC(=O)c1sc(-c2ccc([N+](=O)[O-])cc2)nc1C ZINC000040445661 397610936 /nfs/dbraw/zinc/61/09/36/397610936.db2.gz WONQUYOUPHJDFK-UHFFFAOYSA-N 0 0 262.290 3.229 50 5 CGBARN COC(=O)c1ccc(SC2CCCC2)c([N+](=O)[O-])c1 ZINC000004761598 170013417 /nfs/dbraw/zinc/01/34/17/170013417.db2.gz AFIRPIUXGBESKU-UHFFFAOYSA-N 0 0 281.333 3.416 50 5 CGBARN CC(C)c1onc(C(=O)N(C)C2CCCCC2)c1[N+](=O)[O-] ZINC000004937600 170042561 /nfs/dbraw/zinc/04/25/61/170042561.db2.gz DTQGZOHDRCMNGQ-UHFFFAOYSA-N 0 0 295.339 3.111 50 5 CGBARN O=[N+]([O-])c1cccc(OCCn2cnc3ccccc32)c1 ZINC000005028252 170057647 /nfs/dbraw/zinc/05/76/47/170057647.db2.gz AIIWEZLQEVUMEM-UHFFFAOYSA-N 0 0 283.287 3.024 50 5 CGBARN Cc1ccc(NC(=O)CCc2ccccc2)cc1[N+](=O)[O-] ZINC000005754104 170137072 /nfs/dbraw/zinc/13/70/72/170137072.db2.gz MCUDNXJTIYVXCY-UHFFFAOYSA-N 0 0 284.315 3.475 50 5 CGBARN O=[N+]([O-])c1ncccc1OCc1nc2ccccc2s1 ZINC000007044907 170263633 /nfs/dbraw/zinc/26/36/33/170263633.db2.gz QCNRFBQJZSHLPS-UHFFFAOYSA-N 0 0 287.300 3.179 50 5 CGBARN O=[N+]([O-])c1cccnc1Nc1ccc2c(c1)CCC2 ZINC000007186365 170270537 /nfs/dbraw/zinc/27/05/37/170270537.db2.gz UPZPUZGQQDEECG-UHFFFAOYSA-N 0 0 255.277 3.222 50 5 CGBARN C[C@H](Nc1nc2sccn2c1[N+](=O)[O-])c1ccco1 ZINC000008374705 170333753 /nfs/dbraw/zinc/33/37/53/170333753.db2.gz KXBSNXUHNSRTPT-ZETCQYMHSA-N 0 0 278.293 3.070 50 5 CGBARN COc1ccc(Cl)cc1Nc1n[nH]c(C)c1[N+](=O)[O-] ZINC000008972881 170359833 /nfs/dbraw/zinc/35/98/33/170359833.db2.gz VTYNFHJFZUJIAX-UHFFFAOYSA-N 0 0 282.687 3.032 50 5 CGBARN CC(=O)Cn1c2ccc(F)cc2c2nc3ccccc3nc21 ZINC000009422767 170376340 /nfs/dbraw/zinc/37/63/40/170376340.db2.gz KOOMUAHRURJBLG-UHFFFAOYSA-N 0 0 293.301 3.466 50 5 CGBARN Cc1ccc(NC(=O)CCc2ccccc2)c([N+](=O)[O-])c1 ZINC000010109749 170397726 /nfs/dbraw/zinc/39/77/26/170397726.db2.gz CIRZZVWDPORZPY-UHFFFAOYSA-N 0 0 284.315 3.475 50 5 CGBARN CCCCNc1ccc(-c2nc(CC)no2)cc1[N+](=O)[O-] ZINC000020897974 171278599 /nfs/dbraw/zinc/27/85/99/171278599.db2.gz LSSBJVWOVCJYJQ-UHFFFAOYSA-N 0 0 290.323 3.419 50 5 CGBARN Cc1c(NC(=O)CCc2ccco2)cccc1[N+](=O)[O-] ZINC000030057767 171612796 /nfs/dbraw/zinc/61/27/96/171612796.db2.gz IZGLSFQVHNXYAE-UHFFFAOYSA-N 0 0 274.276 3.068 50 5 CGBARN CCc1nc(COc2ccc([N+](=O)[O-])cc2)cs1 ZINC000040049328 174185221 /nfs/dbraw/zinc/18/52/21/174185221.db2.gz BGALQRGWZXCYFK-UHFFFAOYSA-N 0 0 264.306 3.193 50 5 CGBARN O=[N+]([O-])c1ccc2[nH]c(-c3ccccc3F)nc2c1 ZINC000040169848 174199826 /nfs/dbraw/zinc/19/98/26/174199826.db2.gz NWAMBEYLHMCHNM-UHFFFAOYSA-N 0 0 257.224 3.277 50 5 CGBARN CC(=O)c1ccc(N(C)CCC(F)(F)F)c([N+](=O)[O-])c1 ZINC000071904126 176294918 /nfs/dbraw/zinc/29/49/18/176294918.db2.gz XNNCRRSEPZYJDN-UHFFFAOYSA-N 0 0 290.241 3.186 50 5 CGBARN O=[N+]([O-])c1c(F)cccc1NC[C@@H](O)c1ccc(F)cc1 ZINC000072027386 176310117 /nfs/dbraw/zinc/31/01/17/176310117.db2.gz OYVHLEOMRLODDG-CYBMUJFWSA-N 0 0 294.257 3.019 50 5 CGBARN CC(C)[C@@H]1CN(c2ccc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000095993867 276000079 /nfs/dbraw/zinc/00/00/79/276000079.db2.gz JYGDWFRGOOQSGP-ZDUSSCGKSA-N 0 0 284.743 3.109 50 5 CGBARN O=[N+]([O-])c1cccnc1N1CC[C@H]2CCCC[C@@H]2C1 ZINC000024153497 304811137 /nfs/dbraw/zinc/81/11/37/304811137.db2.gz DBMUSVAVJRUCDD-VXGBXAGGSA-N 0 0 261.325 3.006 50 5 CGBARN O=[N+]([O-])c1ccc(F)cc1CSC1=NCCS1 ZINC000193214708 527357030 /nfs/dbraw/zinc/35/70/30/527357030.db2.gz DDJJVPOUONYXAU-UHFFFAOYSA-N 0 0 272.326 3.070 50 5 CGBARN CCCN(C(=O)C1CC=CC1)c1cccc([N+](=O)[O-])c1 ZINC000194121829 535196671 /nfs/dbraw/zinc/19/66/71/535196671.db2.gz PVUKPEDUCWNWDS-UHFFFAOYSA-N 0 0 274.320 3.304 50 5 CGBARN O=[N+]([O-])c1cccc(-c2nnc(-c3ccc(F)cc3)o2)c1 ZINC000002892962 618650621 /nfs/dbraw/zinc/65/06/21/618650621.db2.gz YYFVKEVMSWPWQJ-UHFFFAOYSA-N 0 0 285.234 3.451 50 5 CGBARN CC(C)c1nccn1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000096001664 185062199 /nfs/dbraw/zinc/06/21/99/185062199.db2.gz UEKIMMPPQAYLPV-UHFFFAOYSA-N 0 0 286.291 3.104 50 5 CGBARN CC1(C)CCCN(C(=O)Nc2ccncc2[N+](=O)[O-])CC1 ZINC000096004897 185062671 /nfs/dbraw/zinc/06/26/71/185062671.db2.gz WQGNYWZOGXGGAA-UHFFFAOYSA-N 0 0 292.339 3.034 50 5 CGBARN O=c1oc2ccc([N+](=O)[O-])cc2n1C/C=C\c1ccccc1 ZINC000097011526 185152177 /nfs/dbraw/zinc/15/21/77/185152177.db2.gz GENKHPQOCSALFN-DAXSKMNVSA-N 0 0 296.282 3.216 50 5 CGBARN O=c1c([N+](=O)[O-])cccn1Cc1ccc(Cl)cc1Cl ZINC000072280386 345407913 /nfs/dbraw/zinc/40/79/13/345407913.db2.gz JWRJKWIPRQECDV-UHFFFAOYSA-N 0 0 299.113 3.112 50 5 CGBARN Cn1c2ccc([N+](=O)[O-])cc2c2cc([N+](=O)[O-])ccc21 ZINC000003129823 282598983 /nfs/dbraw/zinc/59/89/83/282598983.db2.gz GYRJTSLETAQRSP-UHFFFAOYSA-N 0 0 271.232 3.148 50 5 CGBARN O=C(Nc1ccccc1O)c1ccc([N+](=O)[O-])cc1Cl ZINC000000231391 368320628 /nfs/dbraw/zinc/32/06/28/368320628.db2.gz VSZKAVZUSSOPJU-UHFFFAOYSA-N 0 0 292.678 3.206 50 5 CGBARN Nc1cc([N+](=O)[O-])cc2c1C=Cc1ccccc1O2 ZINC000000034451 368273576 /nfs/dbraw/zinc/27/35/76/368273576.db2.gz FWJXRPQKMVIYNT-UHFFFAOYSA-N 0 0 254.245 3.453 50 5 biogenic CGBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCc1ccccc1 ZINC000000038776 368274319 /nfs/dbraw/zinc/27/43/19/368274319.db2.gz UEIIAQKIXSAQLF-UHFFFAOYSA-N 0 0 284.315 3.475 50 5 CGBARN O=C(CSC1=NCCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000000144073 368301367 /nfs/dbraw/zinc/30/13/67/368301367.db2.gz OBPUUSKYFOZGLY-UHFFFAOYSA-N 0 0 292.360 3.483 50 5 CGBARN O=[N+]([O-])c1cccc(-c2nnc(-c3cccs3)o2)c1 ZINC000000187425 368311500 /nfs/dbraw/zinc/31/15/00/368311500.db2.gz KWCUEVIEGDVREI-UHFFFAOYSA-N 0 0 273.273 3.373 50 5 CGBARN O=C(Cc1ccccc1)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000000258593 368327216 /nfs/dbraw/zinc/32/72/16/368327216.db2.gz FZRFSZDOFIEQDY-UHFFFAOYSA-N 0 0 290.706 3.429 50 5 CGBARN CCN(Cc1ccccc1)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000000272663 368329725 /nfs/dbraw/zinc/32/97/25/368329725.db2.gz MWXUHJACDKHYRK-UHFFFAOYSA-N 0 0 284.315 3.257 50 5 CGBARN C[C@H]1CCCCN1C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000000288768 368333027 /nfs/dbraw/zinc/33/30/27/368333027.db2.gz RZAGPLQLAUBXSA-VIFPVBQESA-N 0 0 282.727 3.263 50 5 CGBARN C[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000000288704 368333125 /nfs/dbraw/zinc/33/31/25/368333125.db2.gz FCSIYNVDXLKTKY-SECBINFHSA-N 0 0 282.727 3.120 50 5 CGBARN COc1ccc(C(=O)NC2CCCCCC2)cc1[N+](=O)[O-] ZINC000000284739 368333331 /nfs/dbraw/zinc/33/33/31/368333331.db2.gz XYWLKTIYLVEOCV-UHFFFAOYSA-N 0 0 292.335 3.056 50 5 CGBARN Cc1cccc(NC(=O)c2ccc([N+](=O)[O-])o2)c1C ZINC000000300500 368335483 /nfs/dbraw/zinc/33/54/83/368335483.db2.gz BVPFTFLSOWTNMX-UHFFFAOYSA-N 0 0 260.249 3.057 50 5 CGBARN Cc1ccc(C(=O)N(C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000000300363 368335948 /nfs/dbraw/zinc/33/59/48/368335948.db2.gz WXFFTMHGXJWAHX-UHFFFAOYSA-N 0 0 284.315 3.175 50 5 CGBARN O=C(Nc1ccc(F)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000000311426 368338545 /nfs/dbraw/zinc/33/85/45/368338545.db2.gz ASFMMBFIJDZTNK-UHFFFAOYSA-N 0 0 278.214 3.125 50 5 CGBARN O=[N+]([O-])c1ccc(SCCc2ccccn2)cc1 ZINC000000327883 368341970 /nfs/dbraw/zinc/34/19/70/368341970.db2.gz RILMBHWFNQLEJB-UHFFFAOYSA-N 0 0 260.318 3.325 50 5 CGBARN CC[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000000373397 368351723 /nfs/dbraw/zinc/35/17/23/368351723.db2.gz IDRPRRKCCRJQMC-SSDOTTSWSA-N 0 0 256.689 3.233 50 5 CGBARN Cc1ccc(NC(=O)c2cccc(F)c2)cc1[N+](=O)[O-] ZINC000000476938 368376598 /nfs/dbraw/zinc/37/65/98/368376598.db2.gz DZKGLEAHKYDDRI-UHFFFAOYSA-N 0 0 274.251 3.295 50 5 CGBARN Cc1nc2ccccc2nc1OCc1cccc([N+](=O)[O-])c1 ZINC000000556274 368387679 /nfs/dbraw/zinc/38/76/79/368387679.db2.gz OFJZNDUXCSWQME-UHFFFAOYSA-N 0 0 295.298 3.425 50 5 CGBARN Cc1nn(Cc2ccc(F)cc2Cl)c(C)c1[N+](=O)[O-] ZINC000000614315 368392110 /nfs/dbraw/zinc/39/21/10/368392110.db2.gz ZQFKLQJYTWYOLD-UHFFFAOYSA-N 0 0 283.690 3.249 50 5 CGBARN Cc1cccnc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000001508424 368416176 /nfs/dbraw/zinc/41/61/76/368416176.db2.gz FMPAAROOWOPMQC-UHFFFAOYSA-N 0 0 291.694 3.204 50 5 CGBARN O=[N+]([O-])c1ccc(Oc2cnc3ccccc3n2)cc1 ZINC000003016006 368488202 /nfs/dbraw/zinc/48/82/02/368488202.db2.gz RZNQBDUFQHFIRM-UHFFFAOYSA-N 0 0 267.244 3.330 50 5 CGBARN CCOC(=O)Sc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000003106443 368492721 /nfs/dbraw/zinc/49/27/21/368492721.db2.gz BSXDBUQCSHDVLO-UHFFFAOYSA-N 0 0 284.318 3.453 50 5 CGBARN CSc1ccc(COC(=O)c2ccc([N+](=O)[O-])o2)cc1 ZINC000003503062 368510617 /nfs/dbraw/zinc/51/06/17/368510617.db2.gz PNRWCLLUSNSHEP-UHFFFAOYSA-N 0 0 293.300 3.267 50 5 CGBARN Cc1[nH]nc(Nc2cccc(C(F)(F)F)c2)c1[N+](=O)[O-] ZINC000003832503 368519814 /nfs/dbraw/zinc/51/98/14/368519814.db2.gz CUAITMJIRQKZIH-UHFFFAOYSA-N 0 0 286.213 3.389 50 5 CGBARN O=[N+]([O-])c1ccc(COc2ccc(Cl)cc2CO)cc1 ZINC000004902208 368558885 /nfs/dbraw/zinc/55/88/85/368558885.db2.gz RUTVGWREOGDGSP-UHFFFAOYSA-N 0 0 293.706 3.320 50 5 CGBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)/C=C/c1ccc(O)cc1 ZINC000004306861 368542580 /nfs/dbraw/zinc/54/25/80/368542580.db2.gz PGVJQEMJVCKWFX-WEVVVXLNSA-N 0 0 298.298 3.261 50 5 CGBARN CC1CCC(N(C)C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000014241159 368679934 /nfs/dbraw/zinc/67/99/34/368679934.db2.gz KRBDYFWNXBTCOA-UHFFFAOYSA-N 0 0 276.336 3.246 50 5 CGBARN O=[N+]([O-])c1ccc([C@H]2CN=C(Nc3ccccc3)O2)cc1 ZINC000017186124 368730351 /nfs/dbraw/zinc/73/03/51/368730351.db2.gz UKMYPFQCZXXZMJ-CQSZACIVSA-N 0 0 283.287 3.134 50 5 CGBARN CCc1ccc(C(=O)N(C)Cc2cccc([N+](=O)[O-])c2)o1 ZINC000025256443 368843331 /nfs/dbraw/zinc/84/33/31/368843331.db2.gz QKGRAFIBJFEMNB-UHFFFAOYSA-N 0 0 288.303 3.022 50 5 CGBARN COC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000023035980 368816201 /nfs/dbraw/zinc/81/62/01/368816201.db2.gz DYBDOVKHIAJFQP-UHFFFAOYSA-N 0 0 272.260 3.125 50 5 CGBARN O=[N+]([O-])c1ccc(Cl)cc1CN1CCCCC1 ZINC000023281452 368819597 /nfs/dbraw/zinc/81/95/97/368819597.db2.gz YVXNXCFXMWJZDJ-UHFFFAOYSA-N 0 0 254.717 3.234 50 5 CGBARN CCCC[C@H](CC)CNc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000024765950 368836155 /nfs/dbraw/zinc/83/61/55/368836155.db2.gz RYDBOSPXRAKBOI-NSHDSACASA-N 0 0 293.367 3.322 50 5 CGBARN CN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccc(F)cc1 ZINC000024946472 368837429 /nfs/dbraw/zinc/83/74/29/368837429.db2.gz SMEVWLUJEZEQCW-UHFFFAOYSA-N 0 0 288.278 3.006 50 5 CGBARN CCNc1nc(C)c([N+](=O)[O-])c(Nc2ccc(F)cc2)n1 ZINC000036708775 369025888 /nfs/dbraw/zinc/02/58/88/369025888.db2.gz JNTZMIXQZDUMQB-UHFFFAOYSA-N 0 0 291.286 3.008 50 5 CGBARN O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000042199515 369203857 /nfs/dbraw/zinc/20/38/57/369203857.db2.gz MXAKZRGTEMYWGP-UHFFFAOYSA-N 0 0 298.298 3.279 50 5 CGBARN COc1cc(CSc2ccncc2)ccc1[N+](=O)[O-] ZINC000097047719 370218711 /nfs/dbraw/zinc/21/87/11/370218711.db2.gz FJZRKNLGZUPUGZ-UHFFFAOYSA-N 0 0 276.317 3.291 50 5 CGBARN O=[N+]([O-])c1c(Oc2cncc(Cl)c2)nc2ccccn21 ZINC000077986077 541913513 /nfs/dbraw/zinc/91/35/13/541913513.db2.gz ZCTBPACXECFOGI-UHFFFAOYSA-N 0 0 290.666 3.083 50 5 CGBARN CCN(Cc1nccs1)Cc1cccc([N+](=O)[O-])c1 ZINC000084777537 541934674 /nfs/dbraw/zinc/93/46/74/541934674.db2.gz NMCAHKGTMXLDIU-UHFFFAOYSA-N 0 0 277.349 3.073 50 5 CGBARN C[C@@H](Nc1ncc([N+](=O)[O-])s1)[C@H]1COc2ccccc21 ZINC000192510509 375759248 /nfs/dbraw/zinc/75/92/48/375759248.db2.gz FIVMJVMRTJETKU-PSASIEDQSA-N 0 0 291.332 3.028 50 5 CGBARN O=C(c1cccc([N+](=O)[O-])c1)N1CCC[C@H]2CCCC[C@@H]21 ZINC000008406592 296254599 /nfs/dbraw/zinc/25/45/99/296254599.db2.gz PAYZXRVLYVNQGZ-DOMZBBRYSA-N 0 0 288.347 3.390 50 5 CGBARN COc1ccc(NC(=O)/C=C/c2ccccc2[N+](=O)[O-])cc1 ZINC000000060240 169522006 /nfs/dbraw/zinc/52/20/06/169522006.db2.gz IINFCHQXMQXCRX-IZZDOVSWSA-N 0 0 298.298 3.255 50 5 biogenic CGBARN Cc1ncc([N+](=O)[O-])n1Cc1ccc(Cl)c(Cl)c1 ZINC000000267867 169592233 /nfs/dbraw/zinc/59/22/33/169592233.db2.gz LRLDWFUENRXNBD-UHFFFAOYSA-N 0 0 286.118 3.455 50 5 CGBARN O=[N+]([O-])c1ccc(-c2csc(N3CCCC3)n2)cc1 ZINC000000306758 169604100 /nfs/dbraw/zinc/60/41/00/169604100.db2.gz VQDQXACGIFCWFU-UHFFFAOYSA-N 0 0 275.333 3.319 50 5 CGBARN O=[N+]([O-])c1ccc(-c2nnc(-c3ccc(F)cc3)o2)cc1 ZINC000000276069 285105636 /nfs/dbraw/zinc/10/56/36/285105636.db2.gz VSIWRJOTNNFCOZ-UHFFFAOYSA-N 0 0 285.234 3.451 50 5 CGBARN O=[N+]([O-])c1ccc(Cn2cnc(Cl)c2Cl)cc1 ZINC000019702721 285117594 /nfs/dbraw/zinc/11/75/94/285117594.db2.gz GKJVTJMWOGPCCW-UHFFFAOYSA-N 0 0 272.091 3.146 50 5 CGBARN O=[N+]([O-])c1ccc(OCc2cnn(-c3ccccc3)c2)cc1 ZINC000014215404 285137540 /nfs/dbraw/zinc/13/75/40/285137540.db2.gz OIXZBYKVCYMQIY-UHFFFAOYSA-N 0 0 295.298 3.360 50 5 CGBARN O=c1c2c3ccccc3[nH]c2c2cccc3c2n1CC3 ZINC000004174799 285208341 /nfs/dbraw/zinc/20/83/41/285208341.db2.gz QFVCUWRAJGNVLD-UHFFFAOYSA-N 0 0 260.296 3.192 50 5 in-vitro CGBARN O=c1c2ccccc2oc2c1cnc1ccc([N+](=O)[O-])cc12 ZINC000012880136 285213302 /nfs/dbraw/zinc/21/33/02/285213302.db2.gz DIUORTPOGRQWKG-UHFFFAOYSA-N 0 0 292.250 3.403 50 5 CGBARN Cc1ccc(-c2nc(-c3ccncc3)no2)cc1[N+](=O)[O-] ZINC000004306453 391921072 /nfs/dbraw/zinc/92/10/72/391921072.db2.gz VFNXZQYRYRVYQU-UHFFFAOYSA-N 0 0 282.259 3.015 50 5 CGBARN Cc1cc(N2CCC[C@H](C)C2)c([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000004305243 391921108 /nfs/dbraw/zinc/92/11/08/391921108.db2.gz XNHNSVRIODMEBZ-VIFPVBQESA-N 0 0 279.296 3.048 50 5 CGBARN CCCN(CCC)C(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000003174670 169865175 /nfs/dbraw/zinc/86/51/75/169865175.db2.gz ILSUYQSVGXHYJZ-CMDGGOBGSA-N 0 0 276.336 3.257 50 5 CGBARN Cc1ccc(O)c(Nc2ncnc3ccc([N+](=O)[O-])cc32)c1 ZINC000004342279 169959775 /nfs/dbraw/zinc/95/97/75/169959775.db2.gz DOPVLNAHEALJNQ-UHFFFAOYSA-N 0 0 296.286 3.296 50 5 CGBARN O=[N+]([O-])c1ccc(SCc2ccc(F)cc2)nc1 ZINC000004747545 170011053 /nfs/dbraw/zinc/01/10/53/170011053.db2.gz RWDLCSKUADLAHL-UHFFFAOYSA-N 0 0 264.281 3.421 50 5 CGBARN O=[N+]([O-])c1ccc(-c2nnc(-c3ccccc3O)o2)cc1 ZINC000005188528 170074821 /nfs/dbraw/zinc/07/48/21/170074821.db2.gz SQYDLQWSDHXLIG-UHFFFAOYSA-N 0 0 283.243 3.017 50 5 CGBARN Cc1ccc(C(=O)Nc2ccccc2[N+](=O)[O-])cc1C ZINC000005546810 170111529 /nfs/dbraw/zinc/11/15/29/170111529.db2.gz VGJRKWXDKVVJFJ-UHFFFAOYSA-N 0 0 270.288 3.464 50 5 CGBARN O=C(Cc1ccc(Cl)cc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000005673500 170126687 /nfs/dbraw/zinc/12/66/87/170126687.db2.gz RQUGPINVFOFVSU-UHFFFAOYSA-N 0 0 290.706 3.429 50 5 CGBARN COc1cccc(Oc2nc3sccn3c2[N+](=O)[O-])c1 ZINC000008317288 170330445 /nfs/dbraw/zinc/33/04/45/170330445.db2.gz RGAIZNBJEASHNC-UHFFFAOYSA-N 0 0 291.288 3.105 50 5 CGBARN CC(C)n1nnnc1S[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000008882643 170358180 /nfs/dbraw/zinc/35/81/80/170358180.db2.gz FOEYYUPZAVTKHV-VIFPVBQESA-N 0 0 293.352 3.016 50 5 CGBARN CN(Cc1ccc(F)cc1)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000009313579 170371038 /nfs/dbraw/zinc/37/10/38/170371038.db2.gz APOXJCACQZNCKH-UHFFFAOYSA-N 0 0 288.278 3.006 50 5 CGBARN Cc1cc(Cl)ccc1NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000009721782 170385039 /nfs/dbraw/zinc/38/50/39/170385039.db2.gz BEWBPUBZRIWTSZ-UHFFFAOYSA-N 0 0 279.683 3.137 50 5 CGBARN COc1ccc(OCc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1 ZINC000020897516 171278546 /nfs/dbraw/zinc/27/85/46/171278546.db2.gz AFJCIKJEACZMFC-UHFFFAOYSA-N 0 0 299.286 3.059 50 5 CGBARN CCCCNc1ccc(-c2nc(C)no2)cc1[N+](=O)[O-] ZINC000020897919 171278589 /nfs/dbraw/zinc/27/85/89/171278589.db2.gz IXDHIHXXBHMQCJ-UHFFFAOYSA-N 0 0 276.296 3.165 50 5 CGBARN O=[N+]([O-])c1cc2oc(-c3ccncc3)cc2c([N+](=O)[O-])c1 ZINC000003618158 275034457 /nfs/dbraw/zinc/03/44/57/275034457.db2.gz HXKTYYNVHUTEOL-UHFFFAOYSA-N 0 0 285.215 3.311 50 5 CGBARN COc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1 ZINC000004575826 277879124 /nfs/dbraw/zinc/87/91/24/277879124.db2.gz PMUDTJVAMPQLFG-UHFFFAOYSA-N 0 0 286.287 3.164 50 5 CGBARN COc1ccc2oc3c4ccccc4c(=O)oc3c(=O)c2c1 ZINC000036621471 278005483 /nfs/dbraw/zinc/00/54/83/278005483.db2.gz JSCQFVSXULJNOX-UHFFFAOYSA-N 0 0 294.262 3.061 50 5 CGBARN C[C@@H]1Cc2ccccc2N1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000002872877 279018972 /nfs/dbraw/zinc/01/89/72/279018972.db2.gz JDONOQNNECXBQI-GFCCVEGCSA-N 0 0 296.326 3.115 50 5 CGBARN O=[N+]([O-])c1cccc2c(N3CCCCC3)ccnc21 ZINC000004703669 280373131 /nfs/dbraw/zinc/37/31/31/280373131.db2.gz GGGFGABKBYDMKB-UHFFFAOYSA-N 0 0 257.293 3.133 50 5 CGBARN Cc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1 ZINC000004704007 280789106 /nfs/dbraw/zinc/78/91/06/280789106.db2.gz FHYUFARLLVOEKX-UHFFFAOYSA-N 0 0 270.288 3.464 50 5 CGBARN Cc1csc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC000000283077 293049081 /nfs/dbraw/zinc/04/90/81/293049081.db2.gz ARGXKQUFWANHMW-UHFFFAOYSA-N 0 0 297.723 3.265 50 5 CGBARN CC[C@H](Nc1ccc([N+](=O)[O-])c(C)n1)c1ccccn1 ZINC000952963290 615824035 /nfs/dbraw/zinc/82/40/35/615824035.db2.gz FZSWJQRIHBITHM-NSHDSACASA-N 0 0 272.308 3.256 50 5 CGBARN Cc1ccc(/C=C2/C(=O)Nc3ccc([N+](=O)[O-])cc32)s1 ZINC000032789547 624129889 /nfs/dbraw/zinc/12/98/89/624129889.db2.gz PNNLJUREQVEMKC-KPKJPENVSA-N 0 0 286.312 3.457 50 5 CGBARN C/C=C/C=C\C(=O)Nc1ccc(CC)c([N+](=O)[O-])c1 ZINC000097015969 640851794 /nfs/dbraw/zinc/85/17/94/640851794.db2.gz RZQFWZZAMKVGHS-WZWXSLMZSA-N 0 0 260.293 3.228 50 5 CGBARN CC(=O)Nc1ccc2sc3ccccc3c(=O)c2c1 ZINC000034550104 344940390 /nfs/dbraw/zinc/94/03/90/344940390.db2.gz GLOTXRJEKGIJGO-UHFFFAOYSA-N 0 0 269.325 3.373 50 5 CGBARN O=[N+]([O-])c1c(F)cc(Cl)cc1Br ZINC000307041705 346459593 /nfs/dbraw/zinc/45/95/93/346459593.db2.gz PTMKHUHHQSGWEM-UHFFFAOYSA-N 0 0 254.442 3.150 50 5 CGBARN Cc1nn(Cc2ccc(C(F)(F)F)cc2)cc1[N+](=O)[O-] ZINC000181817537 189307447 /nfs/dbraw/zinc/30/74/47/189307447.db2.gz QCMKDUVROVTNIL-UHFFFAOYSA-N 0 0 285.225 3.167 50 5 CGBARN O=[N+]([O-])c1ccc(SCCc2ccncc2)cc1 ZINC000000231799 368320025 /nfs/dbraw/zinc/32/00/25/368320025.db2.gz KRYDNUGQCOQTPL-UHFFFAOYSA-N 0 0 260.318 3.325 50 5 CGBARN O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H]1C[C@H]1c1ccccc1 ZINC000000234746 368320707 /nfs/dbraw/zinc/32/07/07/368320707.db2.gz UJHYOMVTFAFFGU-LSDHHAIUSA-N 0 0 282.299 3.337 50 5 CGBARN Cc1cccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)c1 ZINC000000038668 368274062 /nfs/dbraw/zinc/27/40/62/368274062.db2.gz DVGZCOXLBSVYBJ-UHFFFAOYSA-N 0 0 270.288 3.464 50 5 CGBARN CCOc1ccc(Br)cc1/C=C(\C)[N+](=O)[O-] ZINC000000098065 368288434 /nfs/dbraw/zinc/28/84/34/368288434.db2.gz CJHRHDHRCDOUFZ-SOFGYWHQSA-N 0 0 286.125 3.485 50 5 CGBARN CC(=O)Oc1cc(C)c2c(c1)oc(=O)c1ccccc12 ZINC000000451457 368369281 /nfs/dbraw/zinc/36/92/81/368369281.db2.gz BXUKZXKNTDBNJW-UHFFFAOYSA-N 0 0 268.268 3.180 50 5 CGBARN CCc1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000000293127 368334440 /nfs/dbraw/zinc/33/44/40/368334440.db2.gz ICDCIUPEPWYOPN-UHFFFAOYSA-N 0 0 270.288 3.410 50 5 CGBARN O=C(Nc1ccccc1)Nc1cccc([N+](=O)[O-])c1 ZINC000000294016 368334731 /nfs/dbraw/zinc/33/47/31/368334731.db2.gz MKGHYUVMRJIWPW-UHFFFAOYSA-N 0 0 257.249 3.239 50 5 CGBARN C[C@H](OC(=O)c1cccc([N+](=O)[O-])c1)C(=O)c1ccccc1 ZINC000000313570 368339310 /nfs/dbraw/zinc/33/93/10/368339310.db2.gz LLZBBOSMEREIHE-NSHDSACASA-N 0 0 299.282 3.023 50 5 CGBARN O=C(Cc1ccccc1[N+](=O)[O-])NCCC1=CCCCC1 ZINC000000461213 368372048 /nfs/dbraw/zinc/37/20/48/368372048.db2.gz VKQOVZOHSHXEJM-UHFFFAOYSA-N 0 0 288.347 3.144 50 5 CGBARN CC(=O)c1ccc(Sc2nnc(C)s2)c([N+](=O)[O-])c1 ZINC000000337917 368343492 /nfs/dbraw/zinc/34/34/92/368343492.db2.gz NFGQJIYJHILGED-UHFFFAOYSA-N 0 0 295.345 3.109 50 5 CGBARN O=C(Oc1ccccc1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000860456 368397960 /nfs/dbraw/zinc/39/79/60/368397960.db2.gz DYQFVXHQRMKQBU-UHFFFAOYSA-N 0 0 277.663 3.467 50 5 CGBARN O=C(Cc1ccc([N+](=O)[O-])cc1)NCCC1=CCCCC1 ZINC000000475544 368375505 /nfs/dbraw/zinc/37/55/05/368375505.db2.gz MEVLWADIVARDEM-UHFFFAOYSA-N 0 0 288.347 3.144 50 5 CGBARN Cc1cccc(OC(=O)c2cccc([N+](=O)[O-])c2)c1C ZINC000001229883 368405148 /nfs/dbraw/zinc/40/51/48/368405148.db2.gz XLEUMTHFKQQWHC-UHFFFAOYSA-N 0 0 271.272 3.431 50 5 CGBARN Cc1ccc(NC(=O)N2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000001753775 368438003 /nfs/dbraw/zinc/43/80/03/368438003.db2.gz WCBANESKAVBDIP-NSHDSACASA-N 0 0 277.324 3.310 50 5 CGBARN O=C1OCC(c2ccccc2)=C1c1ccc([N+](=O)[O-])cc1 ZINC000003291917 368500367 /nfs/dbraw/zinc/50/03/67/368500367.db2.gz OZHAONKCGXHDBZ-UHFFFAOYSA-N 0 0 281.267 3.062 50 5 CGBARN Cc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1C ZINC000004010825 368526058 /nfs/dbraw/zinc/52/60/58/368526058.db2.gz GCDQQBOOADWMIO-UHFFFAOYSA-N 0 0 270.288 3.464 50 5 CGBARN COc1ccc(Cl)cc1NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000004118158 368532155 /nfs/dbraw/zinc/53/21/55/368532155.db2.gz ISYBKJVJWAHUCA-UHFFFAOYSA-N 0 0 296.666 3.102 50 5 CGBARN Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)c(O)c1 ZINC000003569970 368514048 /nfs/dbraw/zinc/51/40/48/368514048.db2.gz DVJHCPYTENYASH-UHFFFAOYSA-N 0 0 286.287 3.170 50 5 CGBARN CC(=O)Nc1ccc([N+](=O)[O-])cc1-c1ccccc1 ZINC000004743249 368557747 /nfs/dbraw/zinc/55/77/47/368557747.db2.gz CKPJXYSLANVIEG-UHFFFAOYSA-N 0 0 256.261 3.220 50 5 CGBARN O=[N+]([O-])c1ccc(-c2ccc(CO)o2)c(Cl)c1 ZINC000004290832 368540768 /nfs/dbraw/zinc/54/07/68/368540768.db2.gz MHFCHWXUADYTLL-UHFFFAOYSA-N 0 0 253.641 3.001 50 5 CGBARN C[C@H](c1ccccc1)N(C)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000015543940 368696989 /nfs/dbraw/zinc/69/69/89/368696989.db2.gz UWYAGIDSAWLEED-SNVBAGLBSA-N 0 0 290.344 3.490 50 5 CGBARN COc1ccc([C@H]2CCCN2c2ccc([N+](=O)[O-])cn2)cc1 ZINC000022804768 368813021 /nfs/dbraw/zinc/81/30/21/368813021.db2.gz WZSCECTXUNIICU-OAHLLOKOSA-N 0 0 299.330 3.340 50 5 CGBARN COc1ccc(CN(C)c2ccccc2[N+](=O)[O-])cc1F ZINC000024585456 368833400 /nfs/dbraw/zinc/83/34/00/368833400.db2.gz GJNKFRNWCZNWJI-UHFFFAOYSA-N 0 0 290.294 3.379 50 5 CGBARN Cc1noc(C)c1CNc1cccc([N+](=O)[O-])c1C ZINC000029399477 368895573 /nfs/dbraw/zinc/89/55/73/368895573.db2.gz AGOJEGQHUQWIJO-UHFFFAOYSA-N 0 0 261.281 3.120 50 5 CGBARN Cc1ccc([N+](=O)[O-])c(C)c1OCc1nc(C(C)C)no1 ZINC000029751230 368897898 /nfs/dbraw/zinc/89/78/98/368897898.db2.gz KULQBKLLAOTERX-UHFFFAOYSA-N 0 0 291.307 3.297 50 5 CGBARN Cc1cnc(NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)s1 ZINC000033788756 368968058 /nfs/dbraw/zinc/96/80/58/368968058.db2.gz MSXYFGLFSPNILM-DAXSKMNVSA-N 0 0 289.316 3.012 50 5 CGBARN CCOP(=O)(Cc1cccc([N+](=O)[O-])c1)OCC ZINC000034122109 368972433 /nfs/dbraw/zinc/97/24/33/368972433.db2.gz QNHAEKQJZUMZFT-UHFFFAOYSA-N 0 0 273.225 3.361 50 5 CGBARN O=C(COc1ccccc1[N+](=O)[O-])c1ccc(F)cc1F ZINC000032727370 368940911 /nfs/dbraw/zinc/94/09/11/368940911.db2.gz CYBRYVGVTJRBAH-UHFFFAOYSA-N 0 0 293.225 3.135 50 5 CGBARN CN(OCc1ccccc1)c1ccc(F)cc1[N+](=O)[O-] ZINC000092826194 370104332 /nfs/dbraw/zinc/10/43/32/370104332.db2.gz MAMHNLLRTFVPCT-UHFFFAOYSA-N 0 0 276.267 3.302 50 5 CGBARN COc1cc(NCc2scnc2C)c([N+](=O)[O-])cc1F ZINC000095412038 370185520 /nfs/dbraw/zinc/18/55/20/370185520.db2.gz MJLAVBNDFSIMJY-UHFFFAOYSA-N 0 0 297.311 3.120 50 5 CGBARN O=[N+]([O-])c1cc(F)cc(Cl)c1OC(F)(F)F ZINC000095215723 370178034 /nfs/dbraw/zinc/17/80/34/370178034.db2.gz QRSSGQFAHBSOCN-UHFFFAOYSA-N 0 0 259.542 3.286 50 5 CGBARN CCCn1cc(N[C@@H](C)c2cccc([N+](=O)[O-])c2)cn1 ZINC000097037986 370215856 /nfs/dbraw/zinc/21/58/56/370215856.db2.gz ZQAJWEFOYLUKRV-NSHDSACASA-N 0 0 274.324 3.374 50 5 CGBARN Cc1csc(C(C)(C)NCc2ccccc2[N+](=O)[O-])n1 ZINC000118849099 370627842 /nfs/dbraw/zinc/62/78/42/370627842.db2.gz RUDSLGWJKUOGGQ-UHFFFAOYSA-N 0 0 291.376 3.385 50 5 CGBARN CCn1cc(OCc2ccc(Cl)c([N+](=O)[O-])c2)cn1 ZINC000225435984 376309339 /nfs/dbraw/zinc/30/93/39/376309339.db2.gz JZIJKOCMWLFMPX-UHFFFAOYSA-N 0 0 281.699 3.044 50 5 CGBARN O=C(Nc1ccc([N+](=O)[O-])cn1)Oc1ccc(Cl)cc1 ZINC000263623435 190070263 /nfs/dbraw/zinc/07/02/63/190070263.db2.gz HKSJKKPOLMMSDE-UHFFFAOYSA-N 0 0 293.666 3.254 50 5 CGBARN CCOC(=O)c1c(Cl)c(Cl)ccc1[N+](=O)[O-] ZINC000263623481 190070635 /nfs/dbraw/zinc/07/06/35/190070635.db2.gz HVBBCZXHGXYJTM-UHFFFAOYSA-N 0 0 264.064 3.078 50 5 CGBARN Cc1c(Br)c(OC(F)F)ccc1[N+](=O)[O-] ZINC000263624809 190070837 /nfs/dbraw/zinc/07/08/37/190070837.db2.gz UKWHYKNTZPJCNY-UHFFFAOYSA-N 0 0 282.040 3.267 50 5 CGBARN O=C1C[C@H](c2ccc([N+](=O)[O-])cc2)c2sccc2N1 ZINC000012429145 284845830 /nfs/dbraw/zinc/84/58/30/284845830.db2.gz WKXPMRIDOSKGCK-SNVBAGLBSA-N 0 0 274.301 3.130 50 5 CGBARN CCC[C@H](C)NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000442528 169642101 /nfs/dbraw/zinc/64/21/01/169642101.db2.gz IDBHBTVHFSBSBP-QMMMGPOBSA-N 0 0 270.716 3.167 50 5 CGBARN O=[N+]([O-])c1ccc(-c2nnc(-c3cccc(F)c3)o2)cc1 ZINC000000276079 285105647 /nfs/dbraw/zinc/10/56/47/285105647.db2.gz LDQXNPAIDMCXEM-UHFFFAOYSA-N 0 0 285.234 3.451 50 5 CGBARN O=[N+]([O-])c1ccc(N2CCc3ccccc32)c([N+](=O)[O-])c1 ZINC000003880390 285132001 /nfs/dbraw/zinc/13/20/01/285132001.db2.gz UBHCYMWPVWIKIM-UHFFFAOYSA-N 0 0 285.259 3.197 50 5 CGBARN O=[N+]([O-])c1ccc2nc3c(nc2c1)Nc1ccccc1N3 ZINC000013142519 285151934 /nfs/dbraw/zinc/15/19/34/285151934.db2.gz CUMSYMBOSFWKPB-UHFFFAOYSA-N 0 0 279.259 3.339 50 5 CGBARN COc1cccc(COc2cc(F)ccc2[N+](=O)[O-])c1 ZINC000095348839 184949992 /nfs/dbraw/zinc/94/99/92/184949992.db2.gz IQDFWQCXYUEWBH-UHFFFAOYSA-N 0 0 277.251 3.322 50 5 CGBARN Cc1[nH]nc(Nc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000004017230 391918438 /nfs/dbraw/zinc/91/84/38/391918438.db2.gz TVFLFGHEMAPIGV-UHFFFAOYSA-N 0 0 252.661 3.023 50 5 CGBARN O=C(Nc1cc([N+](=O)[O-])c(F)cc1F)c1ccccc1F ZINC000032901914 397605879 /nfs/dbraw/zinc/60/58/79/397605879.db2.gz MWZRFDYMOLQZIX-UHFFFAOYSA-N 0 0 296.204 3.264 50 5 CGBARN Cc1cccc(C(=O)N2CCCc3ccccc32)c1[N+](=O)[O-] ZINC000006207705 292416194 /nfs/dbraw/zinc/41/61/94/292416194.db2.gz JHVMNCDJJAPKRV-UHFFFAOYSA-N 0 0 296.326 3.496 50 5 CGBARN Cc1ccc(C)c(Nc2c3nonc3ccc2[N+](=O)[O-])c1 ZINC000003904281 169923037 /nfs/dbraw/zinc/92/30/37/169923037.db2.gz MGIYJEGUUXUKFM-UHFFFAOYSA-N 0 0 284.275 3.491 50 5 CGBARN O=C(Nc1ccc([N+](=O)[O-])cc1)NC1CCCCC1 ZINC000004776596 170015745 /nfs/dbraw/zinc/01/57/45/170015745.db2.gz QMNOMDSHMIVKNV-UHFFFAOYSA-N 0 0 263.297 3.049 50 5 CGBARN CCCCN1C(=O)c2cccc3c([N+](=O)[O-])ccc(c32)C1=O ZINC000004824317 170024382 /nfs/dbraw/zinc/02/43/82/170024382.db2.gz AFQCMZGUMJRWFK-UHFFFAOYSA-N 0 0 298.298 3.144 50 5 CGBARN Cc1ccc(C)c(NC(=O)c2ccc([N+](=O)[O-])o2)c1 ZINC000004838059 170026758 /nfs/dbraw/zinc/02/67/58/170026758.db2.gz PCPSBNJTDDRZLJ-UHFFFAOYSA-N 0 0 260.249 3.057 50 5 CGBARN Cc1cccc(C(=O)OCc2ccccc2)c1[N+](=O)[O-] ZINC000005228138 170078124 /nfs/dbraw/zinc/07/81/24/170078124.db2.gz ARHAOJCHDARTQA-UHFFFAOYSA-N 0 0 271.272 3.260 50 5 CGBARN O=[N+]([O-])c1cccc2ccc(Nc3ccccn3)nc21 ZINC000005590473 170116470 /nfs/dbraw/zinc/11/64/70/170116470.db2.gz UCGBJQLLSKWJLB-UHFFFAOYSA-N 0 0 266.260 3.282 50 5 CGBARN O=[N+]([O-])c1ccc(C(c2ccc[nH]2)c2ccc[nH]2)cc1 ZINC000005749262 170136676 /nfs/dbraw/zinc/13/66/76/170136676.db2.gz ANRISMCNFMGLPP-UHFFFAOYSA-N 0 0 267.288 3.431 50 5 CGBARN CC(=O)Nc1ccc(SCc2ccc([N+](=O)[O-])o2)cc1 ZINC000006022558 170169067 /nfs/dbraw/zinc/16/90/67/170169067.db2.gz GRQQFFVDHOLCQR-UHFFFAOYSA-N 0 0 292.316 3.439 50 5 CGBARN CCc1ccccc1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000006605153 170218537 /nfs/dbraw/zinc/21/85/37/170218537.db2.gz UUPLNIQFVRLCFN-UHFFFAOYSA-N 0 0 284.315 3.338 50 5 CGBARN COc1ccc(CNc2ccccc2[N+](=O)[O-])cc1OC ZINC000008149411 170321606 /nfs/dbraw/zinc/32/16/06/170321606.db2.gz GNUZCONTOLKVBR-UHFFFAOYSA-N 0 0 288.303 3.224 50 5 CGBARN O=[N+]([O-])c1cccc(Oc2ccc(F)cc2[N+](=O)[O-])c1 ZINC000025371552 171455221 /nfs/dbraw/zinc/45/52/21/171455221.db2.gz MJMHBOCPUAQPGS-UHFFFAOYSA-N 0 0 278.195 3.434 50 5 CGBARN COc1cc(C)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000032899381 171758676 /nfs/dbraw/zinc/75/86/76/171758676.db2.gz GTICUUNFGHYGSM-UHFFFAOYSA-N 0 0 260.249 3.099 50 5 CGBARN CCCCCOC(=O)C(C)(C)CC[C@H](C)[N+](=O)[O-] ZINC000045068404 175300178 /nfs/dbraw/zinc/30/01/78/175300178.db2.gz YVTKXQZABVNMMV-NSHDSACASA-N 0 0 259.346 3.191 50 5 CGBARN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)C1CCC1 ZINC000056287741 175583991 /nfs/dbraw/zinc/58/39/91/175583991.db2.gz OGNXELNJVHCZKD-UHFFFAOYSA-N 0 0 276.336 3.132 50 5 CGBARN C[C@@H](OC(=O)c1ccc([N+](=O)[O-])o1)c1cc(F)ccc1F ZINC000056271587 175584037 /nfs/dbraw/zinc/58/40/37/175584037.db2.gz SACYFIVZPYVJGW-SSDOTTSWSA-N 0 0 297.213 3.384 50 5 CGBARN Cc1ccc(NC(=O)C[C@@H]2C=CCC2)cc1[N+](=O)[O-] ZINC000025868465 260130197 /nfs/dbraw/zinc/13/01/97/260130197.db2.gz LDBRINZSICWGTA-LLVKDONJSA-N 0 0 260.293 3.198 50 5 CGBARN O=C1Nc2ccccc2/C1=C/c1cccc([N+](=O)[O-])c1 ZINC000000136953 275024735 /nfs/dbraw/zinc/02/47/35/275024735.db2.gz BZWZITZVOQYHCA-LCYFTJDESA-N 0 0 266.256 3.088 50 5 CGBARN CC(=O)Nc1c(Cl)cc([N+](=O)[O-])c2ccccc21 ZINC000004127883 275487849 /nfs/dbraw/zinc/48/78/49/275487849.db2.gz WOIBWFJTHUPFDP-UHFFFAOYSA-N 0 0 264.668 3.360 50 5 CGBARN CC(C)NC(=O)c1cc2c(ccc3ccccc32)oc1=N ZINC000003856312 277660921 /nfs/dbraw/zinc/66/09/21/277660921.db2.gz PSFYZKCNWGNYQP-UHFFFAOYSA-N 0 0 280.327 3.204 50 5 CGBARN Cc1cc([N+](=O)[O-])cc(C)c1NC(=O)c1ccccc1 ZINC000004412226 280655494 /nfs/dbraw/zinc/65/54/94/280655494.db2.gz SXKADGUBGRJHJH-UHFFFAOYSA-N 0 0 270.288 3.464 50 5 CGBARN Cc1cc([N+](=O)[O-])cc(C)c1NC(=O)C1CC=CC1 ZINC000084086161 566878494 /nfs/dbraw/zinc/87/84/94/566878494.db2.gz WVDZSBMBESVBAU-UHFFFAOYSA-N 0 0 260.293 3.116 50 5 CGBARN Cc1ccc(N(O)C(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000004012293 619024634 /nfs/dbraw/zinc/02/46/34/619024634.db2.gz WGFIVSCXRHMXEW-UHFFFAOYSA-N 0 0 287.275 3.331 50 5 CGBARN O=[N+]([O-])c1ccc(C(=S)Nc2ccccc2)cc1 ZINC000003158442 621938010 /nfs/dbraw/zinc/93/80/10/621938010.db2.gz SQYJDKLHHWSERM-UHFFFAOYSA-N 0 0 258.302 3.382 50 5 CGBARN COc1ccc(/C=C\C(=O)Oc2cccc([N+](=O)[O-])c2)cc1 ZINC000006008808 637902845 /nfs/dbraw/zinc/90/28/45/637902845.db2.gz VBFJBUNUEUSIOW-YFHOEESVSA-N 0 0 299.282 3.222 50 5 CGBARN O=C1Nc2ccc([N+](=O)[O-])cc2/C1=C/c1cccs1 ZINC000032906112 926695724 /nfs/dbraw/zinc/69/57/24/926695724.db2.gz UFEUBHVBIVQGFC-XFFZJAGNSA-N 0 0 272.285 3.149 50 5 CGBARN C[C@H](Nc1nc2ccc([N+](=O)[O-])cc2s1)c1ccon1 ZINC000095985530 185055142 /nfs/dbraw/zinc/05/51/42/185055142.db2.gz NHKDZBHWTYDPGK-ZETCQYMHSA-N 0 0 290.304 3.366 50 5 CGBARN CC(C)(C)c1nc(CNc2ccc(F)cc2[N+](=O)[O-])no1 ZINC000075092145 345494562 /nfs/dbraw/zinc/49/45/62/345494562.db2.gz VBUXJPXEGJDZEI-UHFFFAOYSA-N 0 0 294.286 3.027 50 5 CGBARN O=[N+]([O-])c1ccc(Cl)cc1CNc1cccc(CO)c1 ZINC000191945918 346266987 /nfs/dbraw/zinc/26/69/87/346266987.db2.gz NRJCUCDGRGXTHC-UHFFFAOYSA-N 0 0 292.722 3.353 50 5 CGBARN O=[N+]([O-])c1cccc(NC(=S)Nc2ccccc2)c1 ZINC000000048373 368277531 /nfs/dbraw/zinc/27/75/31/368277531.db2.gz NVMXWDIGHPOMQP-UHFFFAOYSA-N 0 0 273.317 3.404 50 5 CGBARN Cc1ccc(NC(=O)c2ccccc2F)cc1[N+](=O)[O-] ZINC000000101373 368289195 /nfs/dbraw/zinc/28/91/95/368289195.db2.gz PCYAISWPKQACAH-UHFFFAOYSA-N 0 0 274.251 3.295 50 5 CGBARN COc1ccccc1NC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000000102974 368291313 /nfs/dbraw/zinc/29/13/13/368291313.db2.gz LSCAUDFQVTZUCR-UHFFFAOYSA-N 0 0 286.287 3.164 50 5 CGBARN O=C(Oc1cc(F)ccc1[N+](=O)[O-])c1c(F)cccc1F ZINC000000152897 368303939 /nfs/dbraw/zinc/30/39/39/368303939.db2.gz VHFDBSYDHBQTIQ-UHFFFAOYSA-N 0 0 297.188 3.231 50 5 CGBARN CC(C)C(NC(=O)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000000454331 368370194 /nfs/dbraw/zinc/37/01/94/368370194.db2.gz YCSQCQVCMUNTIN-UHFFFAOYSA-N 0 0 264.325 3.005 50 5 CGBARN O=c1oc2ccccc2c(CNc2ccccc2)c1[N+](=O)[O-] ZINC000000267601 368328133 /nfs/dbraw/zinc/32/81/33/368328133.db2.gz BWZIECBEDZUMEX-UHFFFAOYSA-N 0 0 296.282 3.313 50 5 CGBARN Cc1cc(C(=O)N2CCc3ccccc3C2)ccc1[N+](=O)[O-] ZINC000000265855 368328213 /nfs/dbraw/zinc/32/82/13/368328213.db2.gz WQXFRDAMGQWASF-UHFFFAOYSA-N 0 0 296.326 3.102 50 5 CGBARN COc1ccc(C)cc1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000000299887 368335912 /nfs/dbraw/zinc/33/59/12/368335912.db2.gz FXXGHSHTBOTCTL-UHFFFAOYSA-N 0 0 286.287 3.164 50 5 CGBARN COc1ccc(-c2nc(-c3ccc([N+](=O)[O-])cc3)no2)cc1 ZINC000000465695 368372848 /nfs/dbraw/zinc/37/28/48/368372848.db2.gz PLKFGSCBMXDPIL-UHFFFAOYSA-N 0 0 297.270 3.320 50 5 CGBARN Cc1cccc(-n2cnc3cc([N+](=O)[O-])ccc32)c1 ZINC000001442223 368414651 /nfs/dbraw/zinc/41/46/51/368414651.db2.gz GVYQHWMXFHYGPC-UHFFFAOYSA-N 0 0 253.261 3.242 50 5 CGBARN O=[N+]([O-])c1ccc(CCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000001596369 368421888 /nfs/dbraw/zinc/42/18/88/368421888.db2.gz BSNKHEKTRWNNAC-UHFFFAOYSA-N 0 0 272.260 3.288 50 5 in-vitro CGBARN O=Cc1cc([N+](=O)[O-])ccc1OCc1ccccc1F ZINC000001056966 368401453 /nfs/dbraw/zinc/40/14/53/368401453.db2.gz NNWMDVSTQUHUIW-UHFFFAOYSA-N 0 0 275.235 3.125 50 5 CGBARN CCOC(=O)Oc1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000001388883 368409120 /nfs/dbraw/zinc/40/91/20/368409120.db2.gz KFGXYXDOKYRARJ-UHFFFAOYSA-N 0 0 280.063 3.437 50 5 CGBARN CCOC(=O)c1ccccc1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000002392595 368454742 /nfs/dbraw/zinc/45/47/42/368454742.db2.gz RKHBUPYSSMOWMO-UHFFFAOYSA-N 0 0 299.282 3.003 50 5 CGBARN COc1ccc(NC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000003086086 368490794 /nfs/dbraw/zinc/49/07/94/368490794.db2.gz ZXZGOGLXDKDRHQ-UHFFFAOYSA-N 0 0 287.275 3.247 50 5 CGBARN Cc1ccc(C(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000003959538 368524486 /nfs/dbraw/zinc/52/44/86/368524486.db2.gz BZWSTMONQJLXQY-UHFFFAOYSA-N 0 0 256.261 3.156 50 5 CGBARN Cc1ccc(COC(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC000003495167 368510711 /nfs/dbraw/zinc/51/07/11/368510711.db2.gz CWRSPOBPORNUOW-UHFFFAOYSA-N 0 0 277.301 3.322 50 5 CGBARN COc1ccccc1C(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000004689089 368557241 /nfs/dbraw/zinc/55/72/41/368557241.db2.gz CXDIUSIOHVNRLW-UHFFFAOYSA-N 0 0 286.287 3.164 50 5 CGBARN CC(C)(C)NC(=S)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000004299950 368542287 /nfs/dbraw/zinc/54/22/87/368542287.db2.gz NGPXLEDONSKGNP-UHFFFAOYSA-N 0 0 287.772 3.333 50 5 CGBARN COC(=O)c1cc([N+](=O)[O-])cc2c1Oc1ccccc1O2 ZINC000008816502 368575183 /nfs/dbraw/zinc/57/51/83/368575183.db2.gz PUPMDEODEBFKOQ-UHFFFAOYSA-N 0 0 287.227 3.279 50 5 CGBARN O=C(N[C@H]1CCc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000010960197 368587608 /nfs/dbraw/zinc/58/76/08/368587608.db2.gz REIQYFQYLNYDER-HNNXBMFYSA-N 0 0 282.299 3.012 50 5 CGBARN C[C@@H]1C[C@H](C)CN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000013590419 368658770 /nfs/dbraw/zinc/65/87/70/368658770.db2.gz SLHVDARZXWSAPZ-AOOOYVTPSA-N 0 0 296.754 3.366 50 5 CGBARN O=C(Nc1cc([N+](=O)[O-])ccc1F)c1cc(F)cc(F)c1 ZINC000019163219 368745411 /nfs/dbraw/zinc/74/54/11/368745411.db2.gz XBBLASRRNFLPEE-UHFFFAOYSA-N 0 0 296.204 3.264 50 5 CGBARN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)OCC(F)(F)F ZINC000047841559 369329379 /nfs/dbraw/zinc/32/93/79/369329379.db2.gz OYRSBPWZLVBSIW-UHFFFAOYSA-N 0 0 298.604 3.359 50 5 CGBARN COc1ccccc1C[C@@H](C)Nc1ccc([N+](=O)[O-])cn1 ZINC000052472310 369468807 /nfs/dbraw/zinc/46/88/07/369468807.db2.gz VCDMGXJQBVNSIS-LLVKDONJSA-N 0 0 287.319 3.042 50 5 CGBARN C[C@@]1(CO)CCC[C@@H]1Nc1ccc([N+](=O)[O-])cc1Cl ZINC000076061015 369927716 /nfs/dbraw/zinc/92/77/16/369927716.db2.gz QLEPDXUDPMKCLX-STQMWFEESA-N 0 0 284.743 3.211 50 5 CGBARN C[C@]1(CO)CCC[C@H]1Nc1ccc([N+](=O)[O-])cc1Cl ZINC000076061019 369927761 /nfs/dbraw/zinc/92/77/61/369927761.db2.gz QLEPDXUDPMKCLX-CHWSQXEVSA-N 0 0 284.743 3.211 50 5 CGBARN O=[N+]([O-])c1ccc(Oc2cccnc2)cc1OC(F)F ZINC000092583457 370098461 /nfs/dbraw/zinc/09/84/61/370098461.db2.gz RVUNBRLLXPLKOT-UHFFFAOYSA-N 0 0 282.202 3.384 50 5 CGBARN Cc1ccc2ncnc(NCc3cccc([N+](=O)[O-])c3)c2c1 ZINC000170596183 372640180 /nfs/dbraw/zinc/64/01/80/372640180.db2.gz RRLKWTWPOKGFBD-UHFFFAOYSA-N 0 0 294.314 3.459 50 5 CGBARN CCOc1cc(Cn2cnc3ccccc32)ccc1[N+](=O)[O-] ZINC000225436105 376309558 /nfs/dbraw/zinc/30/95/58/376309558.db2.gz UTHSNDCJUOOKNU-UHFFFAOYSA-N 0 0 297.314 3.392 50 5 CGBARN COc1ccccc1-c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000000078492 169528487 /nfs/dbraw/zinc/52/84/87/169528487.db2.gz VIMZNTGNBBTJJE-UHFFFAOYSA-N 0 0 297.270 3.320 50 5 CGBARN COc1ccc(/C=C/C(=O)Oc2cccc([N+](=O)[O-])c2)cc1 ZINC000000314829 169606337 /nfs/dbraw/zinc/60/63/37/169606337.db2.gz VBFJBUNUEUSIOW-JXMROGBWSA-N 0 0 299.282 3.222 50 5 CGBARN Cc1ccc(CNC(=O)c2cccc(C)c2[N+](=O)[O-])cc1 ZINC000000464313 169647545 /nfs/dbraw/zinc/64/75/45/169647545.db2.gz BIQKSVCLRHSQRK-UHFFFAOYSA-N 0 0 284.315 3.142 50 5 CGBARN Cc1occc1C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000000473329 169650043 /nfs/dbraw/zinc/65/00/43/169650043.db2.gz MQOKGQDABSINFI-UHFFFAOYSA-N 0 0 260.249 3.057 50 5 CGBARN O=[N+]([O-])c1cc([N+](=O)[O-])c(Cl)c(C(F)(F)F)c1 ZINC000001847470 285097683 /nfs/dbraw/zinc/09/76/83/285097683.db2.gz RLXKADBMLQPLDV-UHFFFAOYSA-N 0 0 270.550 3.175 50 5 in-vitro CGBARN O=[N+]([O-])c1cccc2cccc(I)c21 ZINC000006884211 285158649 /nfs/dbraw/zinc/15/86/49/285158649.db2.gz PKEGJUHTHZAHTQ-UHFFFAOYSA-N 0 0 299.067 3.353 50 5 CGBARN Cc1cc(N2CCCC[C@H]2C)c(F)cc1[N+](=O)[O-] ZINC000003904576 291932844 /nfs/dbraw/zinc/93/28/44/291932844.db2.gz PLDIRUHRROZNLC-SNVBAGLBSA-N 0 0 252.289 3.421 50 5 CGBARN Cc1cccc(OC(=O)c2ccc([N+](=O)[O-])cc2)c1C ZINC000001230138 169692257 /nfs/dbraw/zinc/69/22/57/169692257.db2.gz RYSVRQLQGXUEED-UHFFFAOYSA-N 0 0 271.272 3.431 50 5 CGBARN C[C@@H]1CCC[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1C ZINC000004680566 391921381 /nfs/dbraw/zinc/92/13/81/391921381.db2.gz VFAVJEWMCUMXJP-JTNHKYCSSA-N 0 0 276.336 3.149 50 5 CGBARN O=[N+]([O-])c1cc(F)cc(Br)c1Cl ZINC000261507097 296501182 /nfs/dbraw/zinc/50/11/82/296501182.db2.gz FGCBAUIHTCOYPV-UHFFFAOYSA-N 0 0 254.442 3.150 50 5 CGBARN COc1cc(/C=C/c2ccccn2)c([N+](=O)[O-])cc1OC ZINC000004406273 169965724 /nfs/dbraw/zinc/96/57/24/169965724.db2.gz MTHVXOKFZSUGCS-VOTSOKGWSA-N 0 0 286.287 3.177 50 5 CGBARN O=C(Nc1ccccc1[N+](=O)[O-])c1ccc2ccccc2n1 ZINC000005257462 170080301 /nfs/dbraw/zinc/08/03/01/170080301.db2.gz DHDGLTJOCMHBJD-UHFFFAOYSA-N 0 0 293.282 3.395 50 5 CGBARN CC(=O)c1ccccc1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000005495834 170104481 /nfs/dbraw/zinc/10/44/81/170104481.db2.gz IKJGWLUVRIGNDV-UHFFFAOYSA-N 0 0 284.271 3.050 50 5 CGBARN COc1ccc(NC(=O)c2cccc(C)c2[N+](=O)[O-])cc1 ZINC000005559894 170113715 /nfs/dbraw/zinc/11/37/15/170113715.db2.gz RJYZCWBAHJOKJM-UHFFFAOYSA-N 0 0 286.287 3.164 50 5 CGBARN CSc1ccc(C(=O)Nc2nccs2)cc1[N+](=O)[O-] ZINC000005574400 170115321 /nfs/dbraw/zinc/11/53/21/170115321.db2.gz ZOYXYSJDGCEQJD-UHFFFAOYSA-N 0 0 295.345 3.026 50 5 CGBARN COc1ccc(-c2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1OC ZINC000008567871 170340717 /nfs/dbraw/zinc/34/07/17/170340717.db2.gz IAAMQNUXRWPNND-UHFFFAOYSA-N 0 0 299.286 3.155 50 5 CGBARN O=C(Nc1cccc([N+](=O)[O-])c1)N1CCc2ccccc2C1 ZINC000008919345 170358779 /nfs/dbraw/zinc/35/87/79/170358779.db2.gz LVZUSTPGZTVFPA-UHFFFAOYSA-N 0 0 297.314 3.185 50 5 CGBARN CN(Cc1ccsc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000008918967 170358951 /nfs/dbraw/zinc/35/89/51/170358951.db2.gz CSWMDGPVCLLUQD-UHFFFAOYSA-N 0 0 291.332 3.320 50 5 CGBARN O=[N+]([O-])c1c(Oc2ccccc2F)nc2sccn21 ZINC000009378312 170374903 /nfs/dbraw/zinc/37/49/03/170374903.db2.gz WIEFVSDSLNBUDV-UHFFFAOYSA-N 0 0 279.252 3.235 50 5 CGBARN CCc1ccc([C@H]2Nc3ccccc3C(=O)N2)cc1[N+](=O)[O-] ZINC000009468688 170377509 /nfs/dbraw/zinc/37/75/09/170377509.db2.gz FBCROSFOJSEODI-HNNXBMFYSA-N 0 0 297.314 3.011 50 5 CGBARN Cc1[nH]c2ccccc2c1CCNc1ncccc1[N+](=O)[O-] ZINC000019874728 170904185 /nfs/dbraw/zinc/90/41/85/170904185.db2.gz SPLOIPSPWANNSY-UHFFFAOYSA-N 0 0 296.330 3.434 50 5 CGBARN CCCCC[C@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000022512591 171389416 /nfs/dbraw/zinc/38/94/16/171389416.db2.gz NBNKKZSTIWCYTM-NSHDSACASA-N 0 0 294.351 3.302 50 5 CGBARN C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1cccnc1 ZINC000037486769 173230384 /nfs/dbraw/zinc/23/03/84/173230384.db2.gz YVYTYYDJRWDWTO-VIFPVBQESA-N 0 0 288.263 3.071 50 5 CGBARN CC(C)c1nnc(SCc2ccccc2[N+](=O)[O-])n1C ZINC000069327950 175823429 /nfs/dbraw/zinc/82/34/29/175823429.db2.gz GREUUPRKWPLSSM-UHFFFAOYSA-N 0 0 292.364 3.139 50 5 CGBARN O=[N+]([O-])c1c(F)cccc1NC[C@H](O)c1ccc(F)cc1 ZINC000072027385 176309939 /nfs/dbraw/zinc/30/99/39/176309939.db2.gz OYVHLEOMRLODDG-ZDUSSCGKSA-N 0 0 294.257 3.019 50 5 CGBARN CC(C)OC(=O)c1ccc2nc3ccccc3nc2c1 ZINC000004811954 275658236 /nfs/dbraw/zinc/65/82/36/275658236.db2.gz XVOYQUOLLGCTBL-UHFFFAOYSA-N 0 0 266.300 3.348 50 5 CGBARN CC(C)Nc1ccc(Br)cc1[N+](=O)[O-] ZINC000004244804 275967151 /nfs/dbraw/zinc/96/71/51/275967151.db2.gz QKZASAQBZATLAE-UHFFFAOYSA-N 0 0 259.103 3.178 50 5 CGBARN COc1ccc2c(c1)oc(=O)cc2-c1cccc([N+](=O)[O-])c1 ZINC000004077443 277995055 /nfs/dbraw/zinc/99/50/55/277995055.db2.gz XJUAKUHYOXMXOR-UHFFFAOYSA-N 0 0 297.266 3.377 50 5 CGBARN Cc1cc(Br)c(Br)cc1[N+](=O)[O-] ZINC000082046747 280306738 /nfs/dbraw/zinc/30/67/38/280306738.db2.gz OJFOMLFOBYEZNH-UHFFFAOYSA-N 0 0 294.930 3.428 50 5 CGBARN O=CNc1c2ccccc2c(NC=O)c2ccccc21 ZINC000000393841 280333228 /nfs/dbraw/zinc/33/32/28/280333228.db2.gz PYSPQAXLYSCIOC-UHFFFAOYSA-N 0 0 264.284 3.130 50 5 CGBARN CC[C@H]1CCCCN1C(=O)c1noc(C(C)C)c1[N+](=O)[O-] ZINC000004937552 281051430 /nfs/dbraw/zinc/05/14/30/281051430.db2.gz LGXHHIMDVJPIKT-JTQLQIEISA-N 0 0 295.339 3.111 50 5 CGBARN Cc1ccc2oc(C(F)(F)F)cc(=O)c2c1[N+](=O)[O-] ZINC000000177623 281182325 /nfs/dbraw/zinc/18/23/25/281182325.db2.gz WEUSXIBCGCFOQR-UHFFFAOYSA-N 0 0 273.166 3.028 50 5 CGBARN CCCN(C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1)C1CC1 ZINC000096501350 527769133 /nfs/dbraw/zinc/76/91/33/527769133.db2.gz ZQLAHSWKSXVZBJ-UHFFFAOYSA-N 0 0 293.323 3.010 50 5 CGBARN CC(C)c1nnc(COc2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000096447832 528448391 /nfs/dbraw/zinc/44/83/91/528448391.db2.gz HDHRGCSSOUSJPI-UHFFFAOYSA-N 0 0 297.698 3.334 50 5 CGBARN CCCN(CCC)C(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000034876793 638878421 /nfs/dbraw/zinc/87/84/21/638878421.db2.gz ILSUYQSVGXHYJZ-HJWRWDBZSA-N 0 0 276.336 3.257 50 5 CGBARN O=C(/C=C\c1ccccc1)OCc1cccc([N+](=O)[O-])c1 ZINC000098053331 640893699 /nfs/dbraw/zinc/89/36/99/640893699.db2.gz VWJCIVSMCPJSTM-KTKRTIGZSA-N 0 0 283.283 3.351 50 5 CGBARN COc1cc(/C=C/c2ccc([N+](=O)[O-])cc2)ccc1O ZINC000000184566 640918430 /nfs/dbraw/zinc/91/84/30/640918430.db2.gz MXVJQFUHKLOOCR-NSCUHMNNSA-N 0 0 271.272 3.479 50 5 CGBARN CCOc1cc([N+](=O)[O-])ccc1NC(=O)c1cccs1 ZINC000005257516 344861452 /nfs/dbraw/zinc/86/14/52/344861452.db2.gz DYHVVJSFJKHNHC-UHFFFAOYSA-N 0 0 292.316 3.307 50 5 CGBARN Cc1ccc([N+](=O)[O-])c(Nc2ccc[nH]c2=S)n1 ZINC000039929909 344961055 /nfs/dbraw/zinc/96/10/55/344961055.db2.gz OJQQOKBGABPZAP-UHFFFAOYSA-N 0 0 262.294 3.099 50 5 CGBARN O=c1c([N+](=O)[O-])cccn1Cc1ccc(Cl)c(Cl)c1 ZINC000072280387 345408390 /nfs/dbraw/zinc/40/83/90/345408390.db2.gz ZEPGNLVYAZLNAN-UHFFFAOYSA-N 0 0 299.113 3.112 50 5 CGBARN O=[N+]([O-])c1ccc([C@H]2CC(c3ccccc3)=NO2)cc1 ZINC000075283247 345499810 /nfs/dbraw/zinc/49/98/10/345499810.db2.gz RORGUEDFAAJDGU-OAHLLOKOSA-N 0 0 268.272 3.461 50 5 CGBARN Cc1cc(NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)sn1 ZINC000139445332 187907375 /nfs/dbraw/zinc/90/73/75/187907375.db2.gz DJDYLAWYECUXND-UHFFFAOYSA-N 0 0 297.723 3.265 50 5 CGBARN Cc1cccc2c(NCc3cccc([N+](=O)[O-])c3)ncnc12 ZINC000170673481 188682680 /nfs/dbraw/zinc/68/26/80/188682680.db2.gz ZQQSORJPCUMWPX-UHFFFAOYSA-N 0 0 294.314 3.459 50 5 CGBARN COc1ccc2c(c1)N[C@H](c1ccc([N+](=O)[O-])s1)N2 ZINC000000094477 368287863 /nfs/dbraw/zinc/28/78/63/368287863.db2.gz KMHVBYNBCURRQT-GFCCVEGCSA-N 0 0 277.305 3.201 50 5 CGBARN CCOC(=O)c1c(N)scc1-c1cccc([N+](=O)[O-])c1 ZINC000000097763 368288191 /nfs/dbraw/zinc/28/81/91/368288191.db2.gz DLLNLXISNQAKJZ-UHFFFAOYSA-N 0 0 292.316 3.082 50 5 CGBARN Cc1ccc(C(=O)Nc2ccccc2F)cc1[N+](=O)[O-] ZINC000000102025 368289116 /nfs/dbraw/zinc/28/91/16/368289116.db2.gz RAWBGPPTOXFDKB-UHFFFAOYSA-N 0 0 274.251 3.295 50 5 CGBARN CC(C)CCNC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000000442448 368367858 /nfs/dbraw/zinc/36/78/58/368367858.db2.gz LHNGSTCHFFCZOE-UHFFFAOYSA-N 0 0 270.716 3.024 50 5 CGBARN O=C(Nc1cc([N+](=O)[O-])ccc1F)c1cccc(F)c1 ZINC000000451284 368368738 /nfs/dbraw/zinc/36/87/38/368368738.db2.gz LVYIDVWIXISAGF-UHFFFAOYSA-N 0 0 278.214 3.125 50 5 CGBARN C[C@H](CCc1ccccc1)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000000454894 368369618 /nfs/dbraw/zinc/36/96/18/368369618.db2.gz NUMGUMBLMUQEKK-CYBMUJFWSA-N 0 0 298.342 3.346 50 5 CGBARN Cc1ccccc1CNC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000000452333 368369805 /nfs/dbraw/zinc/36/98/05/368369805.db2.gz IQGOEPWVCAMCBX-UHFFFAOYSA-N 0 0 284.315 3.142 50 5 CGBARN CC(C)C(NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000000454350 368370081 /nfs/dbraw/zinc/37/00/81/368370081.db2.gz XNHMVVPMVRHGOJ-JXMROGBWSA-N 0 0 290.363 3.405 50 5 CGBARN COc1ccc(-c2noc(-c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000000455233 368370131 /nfs/dbraw/zinc/37/01/31/368370131.db2.gz FTTGJAKVWDSMRN-UHFFFAOYSA-N 0 0 297.270 3.320 50 5 CGBARN Cc1ccn2cc(-c3ccc([N+](=O)[O-])cc3)nc2c1 ZINC000000281358 368332191 /nfs/dbraw/zinc/33/21/91/368332191.db2.gz MDMYCEXCKRTIHB-UHFFFAOYSA-N 0 0 253.261 3.218 50 5 CGBARN COc1ccc([N+](=O)[O-])cc1NCc1c(F)cccc1F ZINC000000293242 368334760 /nfs/dbraw/zinc/33/47/60/368334760.db2.gz MCLQTHVEDFPGPB-UHFFFAOYSA-N 0 0 294.257 3.494 50 5 CGBARN CC(=O)c1nc2cc([N+](=O)[O-])ccc2n1Cc1ccccc1 ZINC000000292956 368334855 /nfs/dbraw/zinc/33/48/55/368334855.db2.gz KFUBZCUATBGOJW-UHFFFAOYSA-N 0 0 295.298 3.195 50 5 CGBARN O=[N+]([O-])c1cnn(Cc2ccc(Cl)c(Cl)c2)c1 ZINC000000380115 368353426 /nfs/dbraw/zinc/35/34/26/368353426.db2.gz PRYDAKMUWSCXRC-UHFFFAOYSA-N 0 0 272.091 3.146 50 5 CGBARN CN(C(=O)/C=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000000464211 368373194 /nfs/dbraw/zinc/37/31/94/368373194.db2.gz IKCCRPOKQRLFIH-FMIVXFBMSA-N 0 0 282.299 3.271 50 5 CGBARN COc1ccc(CNc2cc([N+](=O)[O-])ccc2OC)cc1 ZINC000000436884 368365094 /nfs/dbraw/zinc/36/50/94/368365094.db2.gz XOVQSSJNIYOMAY-UHFFFAOYSA-N 0 0 288.303 3.224 50 5 CGBARN CCOc1cccc(C(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000000860432 368398053 /nfs/dbraw/zinc/39/80/53/368398053.db2.gz NEQJVZJLJHMQQL-UHFFFAOYSA-N 0 0 286.287 3.246 50 5 CGBARN COc1ccccc1C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000003065523 368489704 /nfs/dbraw/zinc/48/97/04/368489704.db2.gz FFZVHMSSPVPLCB-UHFFFAOYSA-N 0 0 286.287 3.164 50 5 CGBARN O=[N+]([O-])c1cccc(NCn2cnc3ccccc32)c1 ZINC000003123064 368492714 /nfs/dbraw/zinc/49/27/14/368492714.db2.gz IXEOZIYXRXOWST-UHFFFAOYSA-N 0 0 268.276 3.014 50 5 CGBARN O=[N+]([O-])c1ccc(C2=COc3ccccc3O2)cc1 ZINC000003190045 368496541 /nfs/dbraw/zinc/49/65/41/368496541.db2.gz OLFDQUNVCWPSBA-UHFFFAOYSA-N 0 0 255.229 3.365 50 5 CGBARN O=C(Nc1ccc(Cl)cc1[N+](=O)[O-])c1ccco1 ZINC000004036956 368528608 /nfs/dbraw/zinc/52/86/08/368528608.db2.gz IOSKOYRBNSDYOE-UHFFFAOYSA-N 0 0 266.640 3.094 50 5 CGBARN CCc1ccc(Nc2ccc([N+](=O)[O-])c3nonc32)cc1 ZINC000004116725 368532691 /nfs/dbraw/zinc/53/26/91/368532691.db2.gz GALDHROMVFISEW-UHFFFAOYSA-N 0 0 284.275 3.437 50 5 CGBARN CCCCCNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004151047 368533488 /nfs/dbraw/zinc/53/34/88/368533488.db2.gz QYBCNBCBFIMDLB-UHFFFAOYSA-N 0 0 270.716 3.168 50 5 CGBARN O=c1oc2ccccc2c(NCc2ccccc2)c1[N+](=O)[O-] ZINC000013478367 368654783 /nfs/dbraw/zinc/65/47/83/368654783.db2.gz DLBIJZSVHCCMOX-UHFFFAOYSA-N 0 0 296.282 3.313 50 5 CGBARN O=c1oc2ccccc2c(Nc2ccccc2O)c1[N+](=O)[O-] ZINC000013556668 368657335 /nfs/dbraw/zinc/65/73/35/368657335.db2.gz QFXADPJJLJENFV-UHFFFAOYSA-N 0 0 298.254 3.150 50 5 CGBARN O=[N+]([O-])c1ccc(NCc2ccccc2Cl)nc1 ZINC000017118008 368727486 /nfs/dbraw/zinc/72/74/86/368727486.db2.gz LLVFXQXOBUCITR-UHFFFAOYSA-N 0 0 263.684 3.255 50 5 CGBARN O=[N+]([O-])c1ccc2[nH]c(COc3ccccc3)nc2c1 ZINC000016902431 368722032 /nfs/dbraw/zinc/72/20/32/368722032.db2.gz CPQHLIYQDGAJLC-UHFFFAOYSA-N 0 0 269.260 3.050 50 5 CGBARN CN(Cc1cc(F)ccc1[N+](=O)[O-])c1ccccc1 ZINC000036394289 369019732 /nfs/dbraw/zinc/01/97/32/369019732.db2.gz NVMRGQAOMRHJPH-UHFFFAOYSA-N 0 0 260.268 3.370 50 5 CGBARN COc1cccc(COc2ccc(C)cc2[N+](=O)[O-])c1 ZINC000057648061 369544036 /nfs/dbraw/zinc/54/40/36/369544036.db2.gz LQIAPXZYMIMMBI-UHFFFAOYSA-N 0 0 273.288 3.491 50 5 CGBARN CCc1nc(Sc2ccc(Cl)cc2[N+](=O)[O-])n[nH]1 ZINC000070462308 369802722 /nfs/dbraw/zinc/80/27/22/369802722.db2.gz GKKTXAPSTHSODY-UHFFFAOYSA-N 0 0 284.728 3.080 50 5 CGBARN Cc1cccc([C@H]2CCCN2c2ncc([N+](=O)[O-])s2)n1 ZINC000192494277 375757486 /nfs/dbraw/zinc/75/74/86/375757486.db2.gz AFEXRZRNALGPSM-LLVKDONJSA-N 0 0 290.348 3.096 50 5 CGBARN O=C1c2ccc([N+](=O)[O-])cc2N[C@@H]2CCCCC[C@H]12 ZINC000226759937 376371917 /nfs/dbraw/zinc/37/19/17/376371917.db2.gz PWENJZSMQGTTKI-CMPLNLGQSA-N 0 0 260.293 3.152 50 5 CGBARN O=C(c1ccccc1)c1cc([N+](=O)[O-])ccc1Cl ZINC000000155237 296260426 /nfs/dbraw/zinc/26/04/26/296260426.db2.gz HRPHZUAPQWJPCZ-UHFFFAOYSA-N 0 0 261.664 3.479 50 5 CGBARN Cc1cc(NC(=O)c2ccco2)c([N+](=O)[O-])cc1C ZINC000004794143 391921136 /nfs/dbraw/zinc/92/11/36/391921136.db2.gz FEKNIMGJEITTMG-UHFFFAOYSA-N 0 0 260.249 3.057 50 5 CGBARN CC1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000032806167 391970174 /nfs/dbraw/zinc/97/01/74/391970174.db2.gz RKLQJMZOJIPGMX-UHFFFAOYSA-N 0 0 254.717 3.485 50 5 CGBARN Cc1cc(C(=O)N[C@@H](C)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000669368690 543103020 /nfs/dbraw/zinc/10/30/20/543103020.db2.gz CUKDAOYQUYRFNT-ZDUSSCGKSA-N 0 0 298.342 3.264 50 5 CGBARN O=C(NCc1ccoc1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000047705791 397634559 /nfs/dbraw/zinc/63/45/59/397634559.db2.gz ZELAHZIDGCJASY-UHFFFAOYSA-N 0 0 295.682 3.163 50 5 CGBARN O=C(NCCCCc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000002740175 169824204 /nfs/dbraw/zinc/82/42/04/169824204.db2.gz LGKNOKGVKBAWQY-UHFFFAOYSA-N 0 0 298.342 3.348 50 5 CGBARN O=C(c1cccn1-c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000003138745 169859831 /nfs/dbraw/zinc/85/98/31/169859831.db2.gz GMADGSJXJPVICR-UHFFFAOYSA-N 0 0 284.193 3.131 50 5 CGBARN O=[N+]([O-])c1cc(Cl)ccc1-c1ccc(CO)o1 ZINC000004290833 169954050 /nfs/dbraw/zinc/95/40/50/169954050.db2.gz SSAQDGGOUGTTJM-UHFFFAOYSA-N 0 0 253.641 3.001 50 5 CGBARN Cc1cc(OC(=O)c2ccc([N+](=O)[O-])o2)ccc1Cl ZINC000004503112 169974514 /nfs/dbraw/zinc/97/45/14/169974514.db2.gz YSSSXXWTUOODDS-UHFFFAOYSA-N 0 0 281.651 3.369 50 5 CGBARN CC[C@H](C(=O)Nc1ccc([N+](=O)[O-])cn1)c1ccccc1 ZINC000004881572 170035837 /nfs/dbraw/zinc/03/58/37/170035837.db2.gz BRBZBJLUCSYTKK-ZDUSSCGKSA-N 0 0 285.303 3.122 50 5 CGBARN O=C(Nc1ccc([N+](=O)[O-])cc1)c1cc2c(s1)CCC2 ZINC000004948755 170044298 /nfs/dbraw/zinc/04/42/98/170044298.db2.gz QZELHFGIUXYGMR-UHFFFAOYSA-N 0 0 288.328 3.397 50 5 CGBARN Cc1cc([N+](=O)[O-])ccc1NC(=O)c1ccc(N(C)C)cc1 ZINC000004982242 170048545 /nfs/dbraw/zinc/04/85/45/170048545.db2.gz VUXAQYMQAOXLQD-UHFFFAOYSA-N 0 0 299.330 3.222 50 5 CGBARN Cc1ccc(C)c(Nc2ccc3nonc3c2[N+](=O)[O-])c1 ZINC000005092130 170065619 /nfs/dbraw/zinc/06/56/19/170065619.db2.gz COMUPVIDGLJHKA-UHFFFAOYSA-N 0 0 284.275 3.491 50 5 CGBARN Cc1ccc(F)c(NC(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000005510064 170105672 /nfs/dbraw/zinc/10/56/72/170105672.db2.gz WUUUSXSWKNSTFV-UHFFFAOYSA-N 0 0 274.251 3.295 50 5 CGBARN CCCCNc1c2ccccc2n(CC)c(=O)c1[N+](=O)[O-] ZINC000005555632 170113027 /nfs/dbraw/zinc/11/30/27/170113027.db2.gz AGWLXHPUBXRYKK-UHFFFAOYSA-N 0 0 289.335 3.142 50 5 CGBARN CCc1ccc(CN(C)C(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000007058349 170265054 /nfs/dbraw/zinc/26/50/54/170265054.db2.gz ZHYBRVBTHJSBCR-UHFFFAOYSA-N 0 0 298.342 3.429 50 5 CGBARN O=[N+]([O-])c1cccnc1Nc1ccc(OC(F)F)cc1 ZINC000007186082 170270213 /nfs/dbraw/zinc/27/02/13/170270213.db2.gz VWYFIUSDKDGJLM-UHFFFAOYSA-N 0 0 281.218 3.335 50 5 CGBARN Cc1cccc(C(=O)N2CCc3cc([N+](=O)[O-])ccc32)c1 ZINC000008777228 170355475 /nfs/dbraw/zinc/35/54/75/170355475.db2.gz ODDGUQCFZVNRCL-UHFFFAOYSA-N 0 0 282.299 3.106 50 5 CGBARN Cc1c(Cl)c([N+](=O)[O-])nn1Cc1cccc(C)c1 ZINC000017242007 170731027 /nfs/dbraw/zinc/73/10/27/170731027.db2.gz GNWZWRQSKVTBKT-UHFFFAOYSA-N 0 0 265.700 3.110 50 5 CGBARN O=c1[nH]c(C=Cc2ccc([N+](=O)[O-])cc2)nc2ccccc12 ZINC000018155871 170744443 /nfs/dbraw/zinc/74/44/43/170744443.db2.gz ZRKBGTUWFGKHKQ-JXMROGBWSA-N 0 0 293.282 3.002 50 5 CGBARN O=[N+]([O-])c1ccc(OC(F)(F)F)cc1Br ZINC000021982382 171344265 /nfs/dbraw/zinc/34/42/65/171344265.db2.gz KIGJNTZXRXZBQO-UHFFFAOYSA-N 0 0 286.003 3.256 50 5 CGBARN CSc1ccc([C@H](C)Nc2c([N+](=O)[O-])ncn2C)cc1 ZINC000029623380 171606127 /nfs/dbraw/zinc/60/61/27/171606127.db2.gz UCYULTMEGPNWKJ-VIFPVBQESA-N 0 0 292.364 3.223 50 5 CGBARN O=[N+]([O-])c1ccc(Oc2cccc3[nH]ccc32)nc1 ZINC000034222687 171834973 /nfs/dbraw/zinc/83/49/73/171834973.db2.gz XDHDOMMSPPUEJP-UHFFFAOYSA-N 0 0 255.233 3.263 50 5 CGBARN Cc1cc([N+](=O)[O-])ccc1N[C@@H]1OC(=O)c2ccccc21 ZINC000040476875 174282647 /nfs/dbraw/zinc/28/26/47/174282647.db2.gz IZRILQAUEZKKCW-CQSZACIVSA-N 0 0 284.271 3.184 50 5 CGBARN CCOC(=O)c1sc(-c2cccc([N+](=O)[O-])c2)nc1C ZINC000048343092 175429305 /nfs/dbraw/zinc/42/93/05/175429305.db2.gz SYCKDQQSHDETSX-UHFFFAOYSA-N 0 0 292.316 3.203 50 5 CGBARN Cc1nn(C)c(N2CCC[C@@H]2CC(C)(C)C)c1[N+](=O)[O-] ZINC000078727491 177377465 /nfs/dbraw/zinc/37/74/65/177377465.db2.gz AEVBXMVTJXSPGN-LLVKDONJSA-N 0 0 280.372 3.042 50 5 CGBARN Cc1nn([C@H](C)C(=O)c2ccc(C)cc2)c(C)c1[N+](=O)[O-] ZINC000002622580 260009799 /nfs/dbraw/zinc/00/97/99/260009799.db2.gz XZJMMDJQAXRVOE-GFCCVEGCSA-N 0 0 287.319 3.160 50 5 CGBARN CCOC(=O)c1cc2ccc3ccccc3c2oc1=O ZINC000000313950 273692137 /nfs/dbraw/zinc/69/21/37/273692137.db2.gz XIKGCKFVQRKFBP-UHFFFAOYSA-N 0 0 268.268 3.123 50 5 CGBARN Cc1cc2c(cc1[N+](=O)[O-])C(=O)c1cc([N+](=O)[O-])ccc1-2 ZINC000003092726 274726624 /nfs/dbraw/zinc/72/66/24/274726624.db2.gz SJCBWAYIHROXIY-UHFFFAOYSA-N 0 0 284.227 3.023 50 5 CGBARN Cc1ccc(N2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)cc1C ZINC000000059420 274747136 /nfs/dbraw/zinc/74/71/36/274747136.db2.gz MNANCBZQVVYXHW-UHFFFAOYSA-N 0 0 296.282 3.012 50 5 CGBARN CC1(C)OC(c2ccc([N+](=O)[O-])cc2)OC1(C)C ZINC000005523090 276155164 /nfs/dbraw/zinc/15/51/64/276155164.db2.gz LZEKVKFGECEUKA-UHFFFAOYSA-N 0 0 251.282 3.197 50 5 CGBARN COc1cc([N+](=O)[O-])c(Cl)cc1Br ZINC000261494514 277389231 /nfs/dbraw/zinc/38/92/31/277389231.db2.gz ZNEQRXSAUSSJRA-UHFFFAOYSA-N 0 0 266.478 3.019 50 5 CGBARN COc1ccc2c(c1)[nH]c(N1CCCCCC1)c2[N+](=O)[O-] ZINC000004352526 277993851 /nfs/dbraw/zinc/99/38/51/277993851.db2.gz UMLAAJWAKJSPCL-UHFFFAOYSA-N 0 0 289.335 3.465 50 5 CGBARN Cn1nc(-c2cccs2)c2cc([N+](=O)[O-])ccc21 ZINC000011691804 279395155 /nfs/dbraw/zinc/39/51/55/279395155.db2.gz LUPRLPLTOQGSRE-UHFFFAOYSA-N 0 0 259.290 3.210 50 5 CGBARN Cc1cc(Br)cc([N+](=O)[O-])c1-n1cccc1 ZINC000001395195 280307870 /nfs/dbraw/zinc/30/78/70/280307870.db2.gz IXKMATVNIGXDFD-UHFFFAOYSA-N 0 0 281.109 3.456 50 5 CGBARN O=[N+]([O-])c1c(Br)cccc1Br ZINC000033414776 280353277 /nfs/dbraw/zinc/35/32/77/280353277.db2.gz HATHNBZPXBWLFB-UHFFFAOYSA-N 0 0 280.903 3.120 50 5 CGBARN c1ccc2c(c1)c1ccccc1c1nc3nonc3nc21 ZINC000004151829 534974885 /nfs/dbraw/zinc/97/48/85/534974885.db2.gz ZIBYFZQDEOXLBM-UHFFFAOYSA-N 0 0 272.267 3.472 50 5 CGBARN CCOc1ccccc1CNc1ccc([N+](=O)[O-])cn1 ZINC000020052242 567125232 /nfs/dbraw/zinc/12/52/32/567125232.db2.gz RGAKUWBJVHFXJV-UHFFFAOYSA-N 0 0 273.292 3.001 50 5 CGBARN CCOc1cc(Br)c(Cl)cc1[N+](=O)[O-] ZINC000095495736 184998777 /nfs/dbraw/zinc/99/87/77/184998777.db2.gz DQUYNYJGMFTJFF-UHFFFAOYSA-N 0 0 280.505 3.409 50 5 CGBARN Cc1nccn1-c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000037866038 282198057 /nfs/dbraw/zinc/19/80/57/282198057.db2.gz WKOOIHIZJLMSOH-UHFFFAOYSA-N 0 0 271.198 3.108 50 5 CGBARN COc1ccsc1/C=C/c1onc(C)c1[N+](=O)[O-] ZINC000000108733 344854052 /nfs/dbraw/zinc/85/40/52/344854052.db2.gz PVEOPQPKZLIXFN-ONEGZZNKSA-N 0 0 266.278 3.132 50 5 CGBARN CCC[C@@H]1CCCN(C(=O)Nc2ccncc2[N+](=O)[O-])C1 ZINC000097080992 185523322 /nfs/dbraw/zinc/52/33/22/185523322.db2.gz OYXCYYSWOXYRAR-LLVKDONJSA-N 0 0 292.339 3.034 50 5 CGBARN O=[N+]([O-])c1cc(F)c(OCc2ccccc2)c(F)c1 ZINC000059679263 345208277 /nfs/dbraw/zinc/20/82/77/345208277.db2.gz NOIXWFOGRRGFAM-UHFFFAOYSA-N 0 0 265.215 3.452 50 5 CGBARN Cc1ccc(COc2ccc(C)nc2[N+](=O)[O-])cc1 ZINC000000092857 368286411 /nfs/dbraw/zinc/28/64/11/368286411.db2.gz FNTJGBKHWFZRNH-UHFFFAOYSA-N 0 0 258.277 3.186 50 5 CGBARN CC(=O)c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000000101755 368289723 /nfs/dbraw/zinc/28/97/23/368289723.db2.gz GLOBABIVZZHEBA-UHFFFAOYSA-N 0 0 284.271 3.050 50 5 CGBARN COc1cc(C(F)(F)F)nc2ccc(C)c([N+](=O)[O-])c21 ZINC000000161455 368306054 /nfs/dbraw/zinc/30/60/54/368306054.db2.gz JXZITCZYZVYHHV-UHFFFAOYSA-N 0 0 286.209 3.479 50 5 CGBARN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N1CCCCC1 ZINC000000161763 368306468 /nfs/dbraw/zinc/30/64/68/368306468.db2.gz VHUUZDSFAUSHTO-UHFFFAOYSA-N 0 0 283.715 3.266 50 5 CGBARN Nc1cc(Sc2ccc(F)cc2)cc([N+](=O)[O-])c1 ZINC000000265779 368328171 /nfs/dbraw/zinc/32/81/71/368328171.db2.gz BEJBRMJZDNGXEO-UHFFFAOYSA-N 0 0 264.281 3.467 50 5 CGBARN Cc1ccc(CC(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 ZINC000000464164 368372059 /nfs/dbraw/zinc/37/20/59/368372059.db2.gz PUAWTTSMGQPHLF-UHFFFAOYSA-N 0 0 284.315 3.393 50 5 CGBARN CC(=O)c1ccc(COC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000000613925 368392586 /nfs/dbraw/zinc/39/25/86/368392586.db2.gz MFSYWOPPMNBOBY-UHFFFAOYSA-N 0 0 299.282 3.154 50 5 CGBARN CC(=O)c1ccc(-c2ccc(C=C[N+](=O)[O-])o2)cc1 ZINC000000794921 368394547 /nfs/dbraw/zinc/39/45/47/368394547.db2.gz UWRUQHKWNZKNNG-CMDGGOBGSA-N 0 0 257.245 3.397 50 5 CGBARN O=[N+]([O-])/C=C/c1c(-c2ccccc2)nc2sccn12 ZINC000001384853 368409175 /nfs/dbraw/zinc/40/91/75/368409175.db2.gz GVCQIGCIQRNZOZ-VOTSOKGWSA-N 0 0 271.301 3.310 50 5 CGBARN Cc1cccc(-c2cnn(-c3cccc([N+](=O)[O-])c3)c2N)c1 ZINC000002508443 368457544 /nfs/dbraw/zinc/45/75/44/368457544.db2.gz WVDQHXSZISXARL-UHFFFAOYSA-N 0 0 294.314 3.338 50 5 CGBARN CCCCCNC(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000002853962 368481299 /nfs/dbraw/zinc/48/12/99/368481299.db2.gz JEERNBQALBVVIX-UHFFFAOYSA-N 0 0 296.392 3.134 50 5 CGBARN Cc1cc([N+](=O)[O-])ccc1NC(=O)c1cccs1 ZINC000004578409 368551652 /nfs/dbraw/zinc/55/16/52/368551652.db2.gz LRKGMEQIVIAVLU-UHFFFAOYSA-N 0 0 262.290 3.217 50 5 CGBARN CCOc1ccccc1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000004600117 368553347 /nfs/dbraw/zinc/55/33/47/368553347.db2.gz NVGMEDPDEMWECF-UHFFFAOYSA-N 0 0 286.287 3.246 50 5 CGBARN Cc1ccc(NC(=O)c2ccccc2F)c([N+](=O)[O-])c1 ZINC000004423196 368546071 /nfs/dbraw/zinc/54/60/71/368546071.db2.gz NRKGDKAWBXVQNY-UHFFFAOYSA-N 0 0 274.251 3.295 50 5 CGBARN O=[N+]([O-])c1ccc(Nc2ccc(N3CCOCC3)cc2)cc1 ZINC000008419018 368573513 /nfs/dbraw/zinc/57/35/13/368573513.db2.gz VQLAMHXKKXYCEO-UHFFFAOYSA-N 0 0 299.330 3.175 50 5 CGBARN Cc1nc(/C=C/C(=O)Nc2ccc([N+](=O)[O-])cc2)cs1 ZINC000010643055 368585477 /nfs/dbraw/zinc/58/54/77/368585477.db2.gz QEODXFJCTXSSSH-QPJJXVBHSA-N 0 0 289.316 3.012 50 5 CGBARN O=C(c1ccccc1)c1ccc(N2CCC2)c([N+](=O)[O-])c1 ZINC000012527752 368615924 /nfs/dbraw/zinc/61/59/24/368615924.db2.gz OONVCSZEYCXRMU-UHFFFAOYSA-N 0 0 282.299 3.036 50 5 CGBARN O=C(Nc1cccc(Nc2ccc([N+](=O)[O-])cn2)c1)C1CC1 ZINC000012528231 368617287 /nfs/dbraw/zinc/61/72/87/368617287.db2.gz RHZDKMYUQBQNMF-UHFFFAOYSA-N 0 0 298.302 3.082 50 5 CGBARN Cc1ccc(NC(=O)Cc2ccccc2[N+](=O)[O-])c(F)c1 ZINC000015541768 368697323 /nfs/dbraw/zinc/69/73/23/368697323.db2.gz XSSQMHRXBUDYGR-UHFFFAOYSA-N 0 0 288.278 3.224 50 5 CGBARN CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](C)C2)c1 ZINC000016642509 368718640 /nfs/dbraw/zinc/71/86/40/368718640.db2.gz DYAYVIZJIWYAGH-SNVBAGLBSA-N 0 0 294.376 3.189 50 5 CGBARN O=c1[nH]c(C=Cc2cccc([N+](=O)[O-])c2)nc2ccccc12 ZINC000017945479 368736098 /nfs/dbraw/zinc/73/60/98/368736098.db2.gz FERQBHWZLMXRBT-CMDGGOBGSA-N 0 0 293.282 3.002 50 5 CGBARN CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)c1cccs1 ZINC000024316702 368830696 /nfs/dbraw/zinc/83/06/96/368830696.db2.gz GKGAOBJNEONCFJ-LBPRGKRZSA-N 0 0 294.332 3.376 50 5 CGBARN CCc1ccc(NC(=O)/C=C/c2ccco2)cc1[N+](=O)[O-] ZINC000027318210 368869943 /nfs/dbraw/zinc/86/99/43/368869943.db2.gz YKKMDNZJSMJLEL-BQYQJAHWSA-N 0 0 286.287 3.402 50 5 CGBARN Cc1c(OCc2nc(C(C)(C)C)no2)cccc1[N+](=O)[O-] ZINC000059012412 369578231 /nfs/dbraw/zinc/57/82/31/369578231.db2.gz KSUVDWSQROVRFB-UHFFFAOYSA-N 0 0 291.307 3.163 50 5 CGBARN C/C(=C/C(=O)OCc1csc([N+](=O)[O-])c1)C1CC1 ZINC000062462078 369624866 /nfs/dbraw/zinc/62/48/66/369624866.db2.gz DSNIYNZMRPZKPX-YWEYNIOJSA-N 0 0 267.306 3.056 50 5 CGBARN CC(C)[C@@H](CO)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000080789660 369992430 /nfs/dbraw/zinc/99/24/30/369992430.db2.gz LMDIMJNVSHDAQT-SNVBAGLBSA-N 0 0 292.257 3.042 50 5 CGBARN O=[N+]([O-])c1cccc(OC(Cl)(Cl)Cl)c1 ZINC000095215533 370177405 /nfs/dbraw/zinc/17/74/05/370177405.db2.gz ODJGAIUJOJLKRQ-UHFFFAOYSA-N 0 0 256.472 3.301 50 5 CGBARN C/C(=C\C(=O)OCc1csc([N+](=O)[O-])c1)C1CC1 ZINC000095369366 370178825 /nfs/dbraw/zinc/17/88/25/370178825.db2.gz DSNIYNZMRPZKPX-XBXARRHUSA-N 0 0 267.306 3.056 50 5 CGBARN CN(CCC(F)(F)F)c1ncc([N+](=O)[O-])cc1Cl ZINC000095398912 370182514 /nfs/dbraw/zinc/18/25/14/370182514.db2.gz HQWQVLTZVWATEF-UHFFFAOYSA-N 0 0 283.637 3.032 50 5 CGBARN CC[C@@]1(C)CCCN(C(=O)Nc2ccncc2[N+](=O)[O-])C1 ZINC000097080987 370222058 /nfs/dbraw/zinc/22/20/58/370222058.db2.gz JHFGUUXZUCGRLE-AWEZNQCLSA-N 0 0 292.339 3.034 50 5 CGBARN CC(C)(C)OC(=O)Nc1ccc([N+](=O)[O-])c(F)c1 ZINC000116940094 370576245 /nfs/dbraw/zinc/57/62/45/370576245.db2.gz WGKWEHCWQLJIDT-UHFFFAOYSA-N 0 0 256.233 3.081 50 5 CGBARN COc1ccc2cc([N+](=O)[O-])n(C(=O)OC(C)(C)C)c2c1 ZINC000261493472 190039410 /nfs/dbraw/zinc/03/94/10/190039410.db2.gz BVXHYJKYHLCBRO-UHFFFAOYSA-N 0 0 292.291 3.341 50 5 CGBARN Cc1cc(OC(F)F)cc(Br)c1[N+](=O)[O-] ZINC000263622983 190070595 /nfs/dbraw/zinc/07/05/95/190070595.db2.gz CPUQUXJNBQUQCI-UHFFFAOYSA-N 0 0 282.040 3.267 50 5 CGBARN Cc1ccc(C(=O)N(C)c2ccccc2)cc1[N+](=O)[O-] ZINC000000102944 169537266 /nfs/dbraw/zinc/53/72/66/169537266.db2.gz JKHJBVGAZGHZII-UHFFFAOYSA-N 0 0 270.288 3.180 50 5 CGBARN C[C@@H](NC(=O)Cc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000000264265 169591150 /nfs/dbraw/zinc/59/11/50/169591150.db2.gz QLGKQCQBGWYTSN-GFCCVEGCSA-N 0 0 284.315 3.015 50 5 CGBARN C[C@@H]1CCCN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000000300681 169602028 /nfs/dbraw/zinc/60/20/28/169602028.db2.gz FWMDTGBFOQCZFU-SECBINFHSA-N 0 0 282.727 3.120 50 5 CGBARN O=[N+]([O-])c1ccc(-c2noc(-c3cccc(F)c3)n2)cc1 ZINC000007781121 285105521 /nfs/dbraw/zinc/10/55/21/285105521.db2.gz CIEJAKNGJFXSLQ-UHFFFAOYSA-N 0 0 285.234 3.451 50 5 CGBARN O=[N+]([O-])c1ccc2c(c1)Cc1ccc([N+](=O)[O-])cc1-2 ZINC000002167951 285143846 /nfs/dbraw/zinc/14/38/46/285143846.db2.gz LWTCPASDEATMPL-UHFFFAOYSA-N 0 0 256.217 3.074 50 5 CGBARN Cc1cc([N+](=O)[O-])ccc1NC(=O)c1ccc(F)cc1 ZINC000004412199 391920939 /nfs/dbraw/zinc/92/09/39/391920939.db2.gz KQOZMCVNNKGVPK-UHFFFAOYSA-N 0 0 274.251 3.295 50 5 CGBARN O=[N+]([O-])c1cccnc1N1CC[C@@H]2CCCC[C@@H]2C1 ZINC000024153493 296517647 /nfs/dbraw/zinc/51/76/47/296517647.db2.gz DBMUSVAVJRUCDD-NWDGAFQWSA-N 0 0 261.325 3.006 50 5 CGBARN C[C@@H]1CCC[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2)[C@H]1C ZINC000239231243 397668829 /nfs/dbraw/zinc/66/88/29/397668829.db2.gz VFAVJEWMCUMXJP-UHIISALHSA-N 0 0 276.336 3.149 50 5 CGBARN O=[N+]([O-])c1cnn(Cc2c(Cl)cccc2Cl)c1 ZINC000002388607 169790375 /nfs/dbraw/zinc/79/03/75/169790375.db2.gz RGNCPBUVEQAPIN-UHFFFAOYSA-N 0 0 272.091 3.146 50 5 CGBARN CC(C)(C)OC(=O)n1cc(C=O)c2cc([N+](=O)[O-])ccc21 ZINC000002563735 169809522 /nfs/dbraw/zinc/80/95/22/169809522.db2.gz CGVAPQUBCFFZMC-UHFFFAOYSA-N 0 0 290.275 3.145 50 5 CGBARN O=[N+]([O-])c1ccc(NC(=S)Nc2ccccc2)cc1 ZINC000004244897 169948255 /nfs/dbraw/zinc/94/82/55/169948255.db2.gz NNWRRGBHDKYELI-UHFFFAOYSA-N 0 0 273.317 3.404 50 5 CGBARN Cc1cc([N+](=O)[O-])ccc1NCc1cccc([N+](=O)[O-])c1 ZINC000004982380 170048731 /nfs/dbraw/zinc/04/87/31/170048731.db2.gz XMWJWFDEPBKCHA-UHFFFAOYSA-N 0 0 287.275 3.424 50 5 CGBARN Cc1cc(C)c(NC(=O)c2ccc(N)c([N+](=O)[O-])c2)c(C)c1 ZINC000005694685 170129826 /nfs/dbraw/zinc/12/98/26/170129826.db2.gz NMFBZTABDSJMLP-UHFFFAOYSA-N 0 0 299.330 3.355 50 5 CGBARN CSc1ccc(C(=O)N2CCCCCC2)cc1[N+](=O)[O-] ZINC000006510304 170208552 /nfs/dbraw/zinc/20/85/52/170208552.db2.gz HPSGRDLBTBWXPJ-UHFFFAOYSA-N 0 0 294.376 3.333 50 5 CGBARN CNc1ccc(C(=O)N(C)C2CCCCC2)cc1[N+](=O)[O-] ZINC000009322610 170372127 /nfs/dbraw/zinc/37/21/27/170372127.db2.gz AXPICXPMKDSNCQ-UHFFFAOYSA-N 0 0 291.351 3.041 50 5 CGBARN O=C(Nc1ccc(F)c(F)c1)c1ccc([N+](=O)[O-])s1 ZINC000009501798 170379615 /nfs/dbraw/zinc/37/96/15/170379615.db2.gz CBRUAYDVNOGDTF-UHFFFAOYSA-N 0 0 284.243 3.187 50 5 CGBARN C[C@H](Sc1ncccn1)c1cccc([N+](=O)[O-])c1 ZINC000012686486 170503840 /nfs/dbraw/zinc/50/38/40/170503840.db2.gz OOSTVMHIUZTBQL-VIFPVBQESA-N 0 0 261.306 3.238 50 5 CGBARN CCCSc1nc(Cl)c([N+](=O)[O-])c(Cl)n1 ZINC000021298035 171300901 /nfs/dbraw/zinc/30/09/01/171300901.db2.gz DDEDQHVHVPJFAC-UHFFFAOYSA-N 0 0 268.125 3.194 50 5 CGBARN O=[N+]([O-])c1ccc2c(c1)CN(Cc1ccccc1)C2 ZINC000038844511 174157007 /nfs/dbraw/zinc/15/70/07/174157007.db2.gz YOSBGQUETRDJDU-UHFFFAOYSA-N 0 0 254.289 3.111 50 5 CGBARN CCOC(=O)c1csc(-c2ccc([N+](=O)[O-])c(C)c2)n1 ZINC000045028233 175293252 /nfs/dbraw/zinc/29/32/52/175293252.db2.gz FRVKGVRXBYELOQ-UHFFFAOYSA-N 0 0 292.316 3.203 50 5 CGBARN CC1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000000288763 276194603 /nfs/dbraw/zinc/19/46/03/276194603.db2.gz AMIBWXWSFOLTHS-UHFFFAOYSA-N 0 0 282.727 3.120 50 5 CGBARN CN(C)c1cc2c(cc1[N+](=O)[O-])-c1ccccc1C2 ZINC000004366378 276880713 /nfs/dbraw/zinc/88/07/13/276880713.db2.gz HUINNTZAYMOQQO-UHFFFAOYSA-N 0 0 254.289 3.232 50 5 CGBARN CC(=O)N1Cc2cc([N+](=O)[O-])ccc2Oc2ccccc21 ZINC000004108408 277019433 /nfs/dbraw/zinc/01/94/33/277019433.db2.gz CGZHSLYTYIXHQY-UHFFFAOYSA-N 0 0 284.271 3.254 50 5 CGBARN Cc1[nH]c2ccccc2nc2c3ccccc3c(=O)c1-2 ZINC000002561661 278577025 /nfs/dbraw/zinc/57/70/25/278577025.db2.gz WCQFBSQQGRLAGT-UHFFFAOYSA-N 0 0 260.296 3.490 50 5 CGBARN C[C@H]1C[C@H](C)CN(c2ccc([N+](=O)[O-])c(Cl)n2)C1 ZINC000220971944 279988392 /nfs/dbraw/zinc/98/83/92/279988392.db2.gz BKGPWAZBSWBYPL-IUCAKERBSA-N 0 0 269.732 3.126 50 5 CGBARN O=[N+]([O-])c1ccc(N2CCC[C@@H]2C2CCCC2)nc1 ZINC000071817207 280366623 /nfs/dbraw/zinc/36/66/23/280366623.db2.gz AMBVSUIZFSTTQZ-CYBMUJFWSA-N 0 0 261.325 3.149 50 5 CGBARN O=c1cc(-c2ccccc2[N+](=O)[O-])oc2ccccc12 ZINC000000265037 280393196 /nfs/dbraw/zinc/39/31/96/280393196.db2.gz CLWQBDUHBCAEBV-UHFFFAOYSA-N 0 0 267.240 3.368 50 5 CGBARN Cc1ccc2cccc(NC(=O)c3ccc([N+](=O)[O-])o3)c2n1 ZINC000004865956 281145980 /nfs/dbraw/zinc/14/59/80/281145980.db2.gz CHRKORNFXJFWIB-UHFFFAOYSA-N 0 0 297.270 3.297 50 5 CGBARN Nc1c2ccccc2oc1C(=O)c1ccccc1[N+](=O)[O-] ZINC000034461016 295347367 /nfs/dbraw/zinc/34/73/67/295347367.db2.gz SQDYAXTYGBTQRT-UHFFFAOYSA-N 0 0 282.255 3.154 50 5 CGBARN Cc1nc(/C=C\C(=O)Nc2ccc([N+](=O)[O-])cc2)cs1 ZINC000096936015 618224119 /nfs/dbraw/zinc/22/41/19/618224119.db2.gz QEODXFJCTXSSSH-DAXSKMNVSA-N 0 0 289.316 3.012 50 5 CGBARN O=c1c2[nH]c3ccccc3c2[nH]c2ccc([N+](=O)[O-])cc12 ZINC000000448383 640924280 /nfs/dbraw/zinc/92/42/80/640924280.db2.gz NXXPHGXXJFGMKQ-UHFFFAOYSA-N 0 0 279.255 3.483 50 5 CGBARN Cn1nc(-c2ccccc2)c2cc([N+](=O)[O-])ccc21 ZINC000004727930 282796214 /nfs/dbraw/zinc/79/62/14/282796214.db2.gz ZFQUETZXAJZYHH-UHFFFAOYSA-N 0 0 253.261 3.149 50 5 CGBARN COc1ccc(C(=O)c2cccc([N+](=O)[O-])c2)cc1C ZINC000000246305 368324561 /nfs/dbraw/zinc/32/45/61/368324561.db2.gz PQOLNYUCSOMRTD-UHFFFAOYSA-N 0 0 271.272 3.143 50 5 CGBARN Cc1ccccc1OC(=O)c1cccc([N+](=O)[O-])c1 ZINC000000038532 368274666 /nfs/dbraw/zinc/27/46/66/368274666.db2.gz YMCGBYDWTGNCGU-UHFFFAOYSA-N 0 0 257.245 3.122 50 5 CGBARN COc1ccc([N+](=O)[O-])cc1NC(=O)/C=C/c1ccccc1 ZINC000000046203 368277396 /nfs/dbraw/zinc/27/73/96/368277396.db2.gz GJWJVLBLBWRSOE-JXMROGBWSA-N 0 0 298.298 3.255 50 5 CGBARN Cc1cccc(C)c1OC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000000129584 368297588 /nfs/dbraw/zinc/29/75/88/368297588.db2.gz PCZANRKKXUTPAE-UHFFFAOYSA-N 0 0 271.272 3.431 50 5 CGBARN Cc1cc(C(=O)Oc2ccccc2)ccc1[N+](=O)[O-] ZINC000000149161 368302089 /nfs/dbraw/zinc/30/20/89/368302089.db2.gz SHYWEMLNHFDJBM-UHFFFAOYSA-N 0 0 257.245 3.122 50 5 CGBARN Cc1c(C(=O)Nc2ccc(F)cc2F)cccc1[N+](=O)[O-] ZINC000000259012 368326917 /nfs/dbraw/zinc/32/69/17/368326917.db2.gz VUYHMLUKRMWVSL-UHFFFAOYSA-N 0 0 292.241 3.434 50 5 CGBARN Cc1cc(C)nc(Nc2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000000266625 368328012 /nfs/dbraw/zinc/32/80/12/368328012.db2.gz PLHFVMIRTSEBLE-UHFFFAOYSA-N 0 0 258.281 3.054 50 5 CGBARN Cc1occc1-c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000000291583 368334878 /nfs/dbraw/zinc/33/48/78/368334878.db2.gz RVOLCLXFGFOVQF-UHFFFAOYSA-N 0 0 271.232 3.213 50 5 CGBARN Cc1ccc(OC(=O)c2ccccc2[N+](=O)[O-])cc1C ZINC000000308500 368338736 /nfs/dbraw/zinc/33/87/36/368338736.db2.gz ZSPQIQDWQJMQRC-UHFFFAOYSA-N 0 0 271.272 3.431 50 5 CGBARN CCC(C)(C)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000000892621 368397631 /nfs/dbraw/zinc/39/76/31/368397631.db2.gz GEYRIPNBSUZSBJ-UHFFFAOYSA-N 0 0 254.261 3.109 50 5 CGBARN CCOC(=O)c1cc(-c2ccc(Cl)c([N+](=O)[O-])c2)no1 ZINC000000509168 368380843 /nfs/dbraw/zinc/38/08/43/368380843.db2.gz QXXNXLCLMWFBBX-UHFFFAOYSA-N 0 0 296.666 3.080 50 5 CGBARN Cc1cc([N+](=O)[O-])nn1Cc1ccc(Cl)c(Cl)c1 ZINC000000614323 368392739 /nfs/dbraw/zinc/39/27/39/368392739.db2.gz SQKMMZVWBRUZHT-UHFFFAOYSA-N 0 0 286.118 3.455 50 5 CGBARN O=C(Nc1cccc([N+](=O)[O-])c1)Nc1ccc(Cl)cn1 ZINC000000621252 368393510 /nfs/dbraw/zinc/39/35/10/368393510.db2.gz WZHTXFDDLSSFLC-UHFFFAOYSA-N 0 0 292.682 3.287 50 5 CGBARN C[C@@H]1C[C@@H](C)CN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000001181774 368404465 /nfs/dbraw/zinc/40/44/65/368404465.db2.gz WEBWUBDICLBMLX-AMRKSYTLSA-N 0 0 288.347 3.113 50 5 CGBARN O=Cc1ccc(Oc2ccc(F)cc2F)c([N+](=O)[O-])c1 ZINC000001392277 368410312 /nfs/dbraw/zinc/41/03/12/368410312.db2.gz RINTXUSUROIDBP-UHFFFAOYSA-N 0 0 279.198 3.478 50 5 CGBARN O=[N+]([O-])c1cc(CO)ccc1Oc1ccc(F)cc1F ZINC000001392281 368410375 /nfs/dbraw/zinc/41/03/75/368410375.db2.gz OKNVDKZDPWCLCT-UHFFFAOYSA-N 0 0 281.214 3.158 50 5 CGBARN O=C(NCc1ccccc1)c1ccc([N+](=O)[O-])cc1Cl ZINC000002742170 368473557 /nfs/dbraw/zinc/47/35/57/368473557.db2.gz RCJIDXMKBRNIMU-UHFFFAOYSA-N 0 0 290.706 3.178 50 5 CGBARN Cc1ccc(F)cc1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000003343731 368503949 /nfs/dbraw/zinc/50/39/49/368503949.db2.gz YJWVTAJFZHTQIQ-UHFFFAOYSA-N 0 0 274.251 3.295 50 5 CGBARN O=C(Nc1cccc([N+](=O)[O-])c1)C12CCC(CC1)C2 ZINC000003197973 368495948 /nfs/dbraw/zinc/49/59/48/368495948.db2.gz KDZHYSAPWRBCPG-UHFFFAOYSA-N 0 0 260.293 3.114 50 5 CGBARN CCOc1cccc(Nc2ccc([N+](=O)[O-])cn2)c1 ZINC000004091997 368529866 /nfs/dbraw/zinc/52/98/66/368529866.db2.gz BDSJUNAVBMUSQD-UHFFFAOYSA-N 0 0 259.265 3.132 50 5 CGBARN Cc1ccc(CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1 ZINC000003554492 368513018 /nfs/dbraw/zinc/51/30/18/368513018.db2.gz BDSVNPABPVZMCW-UHFFFAOYSA-N 0 0 284.315 3.142 50 5 CGBARN Cc1ccc(NC(=O)c2noc(C(C)C)c2[N+](=O)[O-])cc1 ZINC000004937540 368560326 /nfs/dbraw/zinc/56/03/26/368560326.db2.gz ROXTWSBDKOSUNU-UHFFFAOYSA-N 0 0 289.291 3.267 50 5 CGBARN Cc1nc2cc(NC(=O)c3cccc([N+](=O)[O-])c3)ccc2[nH]1 ZINC000010895952 368587436 /nfs/dbraw/zinc/58/74/36/368587436.db2.gz DQOUPZIYYHVXLC-UHFFFAOYSA-N 0 0 296.286 3.032 50 5 CGBARN COc1ccccc1[C@H](C)Nc1ccc([N+](=O)[O-])cn1 ZINC000012617860 368622580 /nfs/dbraw/zinc/62/25/80/368622580.db2.gz MPGGMNDETZJFDL-JTQLQIEISA-N 0 0 273.292 3.172 50 5 CGBARN C[C@@H](Sc1ncccn1)c1cccc([N+](=O)[O-])c1 ZINC000012686481 368624224 /nfs/dbraw/zinc/62/42/24/368624224.db2.gz OOSTVMHIUZTBQL-SECBINFHSA-N 0 0 261.306 3.238 50 5 CGBARN O=c1[nH]c2ccccc2nc1/C=C/c1cccc([N+](=O)[O-])c1 ZINC000013098526 368641910 /nfs/dbraw/zinc/64/19/10/368641910.db2.gz MIDHEQVEQSEWKD-CMDGGOBGSA-N 0 0 293.282 3.002 50 5 CGBARN Cc1ccc(C(=O)NC[C@@H](C)c2ccccc2)cc1[N+](=O)[O-] ZINC000015744314 368701502 /nfs/dbraw/zinc/70/15/02/368701502.db2.gz DYWZUXOWNWFLFN-CYBMUJFWSA-N 0 0 298.342 3.437 50 5 CGBARN O=[N+]([O-])c1c(NCCc2ccccn2)ccc2ncccc21 ZINC000042109464 369201300 /nfs/dbraw/zinc/20/13/00/369201300.db2.gz YKMJIWRBVRABDW-UHFFFAOYSA-N 0 0 294.314 3.193 50 5 CGBARN COCc1nc(-c2ccc(C)c([N+](=O)[O-])c2)cs1 ZINC000058158452 369555186 /nfs/dbraw/zinc/55/51/86/369555186.db2.gz FPFXZMKCETUDKP-UHFFFAOYSA-N 0 0 264.306 3.173 50 5 CGBARN Cc1ccc([N+](=O)[O-])c(N[C@@H](C)COCC(F)(F)F)c1 ZINC000088715809 370036854 /nfs/dbraw/zinc/03/68/54/370036854.db2.gz YNSXHGVMGXUNJW-VIFPVBQESA-N 0 0 292.257 3.283 50 5 CGBARN O=[N+]([O-])c1ccccc1N1CCCC[C@H]1c1cn[nH]c1 ZINC000301505278 373781945 /nfs/dbraw/zinc/78/19/45/373781945.db2.gz CNNPUGSAARQFLB-LBPRGKRZSA-N 0 0 272.308 3.050 50 5 CGBARN Nc1ccc([N+](=O)[O-])cc1OCc1ccccc1Cl ZINC000334161325 206124121 /nfs/dbraw/zinc/12/41/21/206124121.db2.gz YXRAPDXAQOFVCC-UHFFFAOYSA-N 0 0 278.695 3.409 50 5 CGBARN O=Cc1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000000035782 169512162 /nfs/dbraw/zinc/51/21/62/169512162.db2.gz DIZCCNXYIFDHAX-UHFFFAOYSA-N 0 0 251.625 3.321 50 5 CGBARN CC(=O)c1ccc(Oc2ncc([N+](=O)[O-])s2)cc1 ZINC000000121685 169543433 /nfs/dbraw/zinc/54/34/33/169543433.db2.gz MTPRVEKGIPJDCK-UHFFFAOYSA-N 0 0 264.262 3.046 50 5 CGBARN O=C(NCc1ccccc1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000298841 169601215 /nfs/dbraw/zinc/60/12/15/169601215.db2.gz MADVUFHSGNTQDY-UHFFFAOYSA-N 0 0 290.706 3.178 50 5 CGBARN CCC[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000000442470 169641589 /nfs/dbraw/zinc/64/15/89/169641589.db2.gz DVSCUEBOTYDRPU-MRVPVSSYSA-N 0 0 270.716 3.167 50 5 CGBARN O=[N+]([O-])c1ccccc1Oc1ccccc1[N+](=O)[O-] ZINC000002166232 285165096 /nfs/dbraw/zinc/16/50/96/285165096.db2.gz XVIRIXVOLLJIPF-UHFFFAOYSA-N 0 0 260.205 3.295 50 5 CGBARN C[C@H]1C[C@H](CCn2ccc(=O)c([N+](=O)[O-])c2)C[C@@H](C)C1 ZINC000252581791 131136739 /nfs/dbraw/zinc/13/67/39/131136739.db2.gz MFTNZGJUHJWDAT-ITGUQSILSA-N 0 0 278.352 3.219 50 5 CGBARN CCCC[C@H]1C[C@@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000004125219 169935616 /nfs/dbraw/zinc/93/56/16/169935616.db2.gz MXDIEQXRHCTJFQ-GWCFXTLKSA-N 0 0 262.309 3.360 50 5 CGBARN O=C(CCc1ccccc1F)Nc1cccc([N+](=O)[O-])c1 ZINC000004870120 170034619 /nfs/dbraw/zinc/03/46/19/170034619.db2.gz DEAHNMBOKJUNHO-UHFFFAOYSA-N 0 0 288.278 3.305 50 5 CGBARN Cc1cc(C)nc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)c1 ZINC000006201275 170182210 /nfs/dbraw/zinc/18/22/10/170182210.db2.gz OGYIYHSCNFMQTH-VOTSOKGWSA-N 0 0 297.314 3.259 50 5 CGBARN CC(C)[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000007804094 170303690 /nfs/dbraw/zinc/30/36/90/170303690.db2.gz ATBMMMZWBSWMQD-MRVPVSSYSA-N 0 0 270.716 3.023 50 5 CGBARN Cc1c(NC(=O)c2ccc(F)cc2F)cccc1[N+](=O)[O-] ZINC000008269927 170327707 /nfs/dbraw/zinc/32/77/07/170327707.db2.gz RHIWFMUDFKDNHK-UHFFFAOYSA-N 0 0 292.241 3.434 50 5 CGBARN CN(C(=O)c1ccc(F)c([N+](=O)[O-])c1)c1ccccc1 ZINC000009376784 170374924 /nfs/dbraw/zinc/37/49/24/170374924.db2.gz XFYLGPKCTMWXBH-UHFFFAOYSA-N 0 0 274.251 3.011 50 5 CGBARN C=C=CSc1nnc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000009614812 170383077 /nfs/dbraw/zinc/38/30/77/170383077.db2.gz UTDWUTGSKNWGBZ-UHFFFAOYSA-N 0 0 261.262 3.036 50 5 CGBARN CCOc1cccc(NC(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000009816352 170386096 /nfs/dbraw/zinc/38/60/96/170386096.db2.gz MAPIIFQUVPUKHI-UHFFFAOYSA-N 0 0 286.287 3.246 50 5 CGBARN CSc1ccc(C(=O)N2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000010021197 170395479 /nfs/dbraw/zinc/39/54/79/170395479.db2.gz HCZRFSCQOLRXRQ-SNVBAGLBSA-N 0 0 294.376 3.331 50 5 CGBARN COc1ccc(/C=C2\OC(=O)c3cc([N+](=O)[O-])ccc32)cc1 ZINC000012367620 170480220 /nfs/dbraw/zinc/48/02/20/170480220.db2.gz OPTVQMNHHNNCPO-NVNXTCNLSA-N 0 0 297.266 3.272 50 5 CGBARN CCN(C(=O)c1ccc([N+](=O)[O-])s1)c1ccccc1 ZINC000012874301 170516267 /nfs/dbraw/zinc/51/62/67/170516267.db2.gz NPCLEUJVACFSET-UHFFFAOYSA-N 0 0 276.317 3.323 50 5 CGBARN O=C1O[C@H](Nc2cc([N+](=O)[O-])ccc2F)c2ccccc21 ZINC000040476882 174282786 /nfs/dbraw/zinc/28/27/86/174282786.db2.gz PYLWRNZTWLIIPB-ZDUSSCGKSA-N 0 0 288.234 3.015 50 5 CGBARN CN(CCc1ccccc1Cl)c1ncc([N+](=O)[O-])s1 ZINC000071771475 176262314 /nfs/dbraw/zinc/26/23/14/176262314.db2.gz UHQQNDBVXZCBJZ-UHFFFAOYSA-N 0 0 297.767 3.384 50 5 CGBARN O=[N+]([O-])c1c(F)cccc1N[C@H](CCO)c1cccs1 ZINC000075145298 176666231 /nfs/dbraw/zinc/66/62/31/176666231.db2.gz CHGZOAVUKRAEON-SNVBAGLBSA-N 0 0 296.323 3.331 50 5 CGBARN CCc1cnc([C@@H](C)Nc2ccc([N+](=O)[O-])cn2)s1 ZINC000079021841 177417239 /nfs/dbraw/zinc/41/72/39/177417239.db2.gz RAMJSXSMKZEVFO-MRVPVSSYSA-N 0 0 278.337 3.182 50 5 CGBARN COc1cccc(-c2noc(-c3ccc([N+](=O)[O-])cc3)n2)c1 ZINC000004820896 278006325 /nfs/dbraw/zinc/00/63/25/278006325.db2.gz LBMJUUFNPHJTNQ-UHFFFAOYSA-N 0 0 297.270 3.320 50 5 CGBARN Cc1ccc2nc(-c3cccc([N+](=O)[O-])c3)oc(=O)c2c1 ZINC000000179743 281149255 /nfs/dbraw/zinc/14/92/55/281149255.db2.gz IOHRNJSCPYQWPL-UHFFFAOYSA-N 0 0 282.255 3.072 50 5 CGBARN Cc1cccc(C(=O)N2c3ccccc3C[C@@H]2C)c1[N+](=O)[O-] ZINC000009426495 301955399 /nfs/dbraw/zinc/95/53/99/301955399.db2.gz URPRWDZCVJTYHP-LBPRGKRZSA-N 0 0 296.326 3.495 50 5 CGBARN O=C(C1CC1)N(c1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000109734709 329528348 /nfs/dbraw/zinc/52/83/48/329528348.db2.gz GQBFXAMRKQUMJD-UHFFFAOYSA-N 0 0 274.320 3.280 50 5 CGBARN COc1ccc(NC(=O)N2CCCC2(C)C)cc1[N+](=O)[O-] ZINC000096501357 534102838 /nfs/dbraw/zinc/10/28/38/534102838.db2.gz XQFZSNAGAYOUGB-UHFFFAOYSA-N 0 0 293.323 3.010 50 5 CGBARN CC(C)Cn1cc(/C=C/c2ccc([N+](=O)[O-])cn2)cn1 ZINC000096500985 528698637 /nfs/dbraw/zinc/69/86/37/528698637.db2.gz NSOLVOUIQXKUNB-ONEGZZNKSA-N 0 0 272.308 3.013 50 5 CGBARN O=[N+]([O-])[C@]1(Br)CCC[C@@H](C(F)(F)F)C1 ZINC000958528117 640827002 /nfs/dbraw/zinc/82/70/02/640827002.db2.gz JUZVZGCZILIHFA-PHDIDXHHSA-N 0 0 276.052 3.107 50 5 CGBARN CNc1ccc(Br)c(C(F)(F)F)c1[N+](=O)[O-] ZINC000396142476 346580161 /nfs/dbraw/zinc/58/01/61/346580161.db2.gz QUHRRKFAGJLOFE-UHFFFAOYSA-N 0 0 299.046 3.418 50 5 CGBARN O=C(NCCC1=CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000000038848 368274700 /nfs/dbraw/zinc/27/47/00/368274700.db2.gz ICWIBITZFMNCNM-UHFFFAOYSA-N 0 0 274.320 3.215 50 5 CGBARN C[C@H]1Cc2ccccc2N1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000000086012 368285122 /nfs/dbraw/zinc/28/51/22/368285122.db2.gz BGBZSEHDOFXGAO-LBPRGKRZSA-N 0 0 296.326 3.115 50 5 CGBARN O=[N+]([O-])c1ccc(Oc2ccc(F)cc2F)nc1 ZINC000000092564 368286439 /nfs/dbraw/zinc/28/64/39/368286439.db2.gz VNVUVVNYXQZPNA-UHFFFAOYSA-N 0 0 252.176 3.060 50 5 CGBARN CC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000000123365 368295929 /nfs/dbraw/zinc/29/59/29/368295929.db2.gz YWUYDEFDHOGXRX-UHFFFAOYSA-N 0 0 282.727 3.120 50 5 CGBARN Nc1ccccc1-c1nc2cc3ccccc3cc2[nH]c1=O ZINC000000175742 368309789 /nfs/dbraw/zinc/30/97/89/368309789.db2.gz HPXYNQDLLRNQEM-UHFFFAOYSA-N 0 0 287.322 3.326 50 5 CGBARN Cc1c(-c2nc(-c3ccccn3)no2)cccc1[N+](=O)[O-] ZINC000000447443 368369088 /nfs/dbraw/zinc/36/90/88/368369088.db2.gz ILFCAZQXRSGQSW-UHFFFAOYSA-N 0 0 282.259 3.015 50 5 CGBARN Cc1ccc(C(=O)N2[C@@H](C)CCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000000272519 368329823 /nfs/dbraw/zinc/32/98/23/368329823.db2.gz WHYBMUHSHMSFGC-RYUDHWBXSA-N 0 0 276.336 3.306 50 5 CGBARN O=[N+]([O-])c1ccc2c(c1)ncn2CCc1ccccc1 ZINC000001060809 368403199 /nfs/dbraw/zinc/40/31/99/368403199.db2.gz STRPGOKXXQCJHS-UHFFFAOYSA-N 0 0 267.288 3.187 50 5 CGBARN O=C1O[C@H](C(=CNc2ccccc2)[N+](=O)[O-])c2ccccc21 ZINC000001391076 368410393 /nfs/dbraw/zinc/41/03/93/368410393.db2.gz NAJAMOYLTWUAJF-IPJDOKCGSA-N 0 0 296.282 3.128 50 5 CGBARN O=[N+]([O-])c1ccc(Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000001693410 368432853 /nfs/dbraw/zinc/43/28/53/368432853.db2.gz GLBZQZXDUTUCGK-UHFFFAOYSA-N 0 0 258.233 3.094 50 5 CGBARN O=[N+]([O-])c1cnn(CSc2nc3ccccc3s2)c1 ZINC000002766589 368476672 /nfs/dbraw/zinc/47/66/72/368476672.db2.gz DILMIZUKHVAQKY-UHFFFAOYSA-N 0 0 292.345 3.151 50 5 CGBARN CC(=O)c1ccccc1OC(=O)c1ccccc1[N+](=O)[O-] ZINC000003287951 368500185 /nfs/dbraw/zinc/50/01/85/368500185.db2.gz GDIYLFJXKRHPBN-UHFFFAOYSA-N 0 0 285.255 3.017 50 5 CGBARN Cc1ccc(CC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cc1 ZINC000002832307 368481031 /nfs/dbraw/zinc/48/10/31/368481031.db2.gz MYOJGNCPKVKIJH-UHFFFAOYSA-N 0 0 288.278 3.224 50 5 CGBARN COc1ccc(Oc2ccc(C=O)cc2[N+](=O)[O-])cc1 ZINC000003267939 368498370 /nfs/dbraw/zinc/49/83/70/368498370.db2.gz BCNMFOKLPNNNQF-UHFFFAOYSA-N 0 0 273.244 3.208 50 5 CGBARN O=[N+]([O-])c1ccc(Nc2ccc(Br)cc2)nc1 ZINC000003880519 368522623 /nfs/dbraw/zinc/52/26/23/368522623.db2.gz WJHZUYCOTRMCSB-UHFFFAOYSA-N 0 0 294.108 3.496 50 5 CGBARN CCC(=O)Nc1nc(-c2cc([N+](=O)[O-])cs2)cs1 ZINC000004079325 368529605 /nfs/dbraw/zinc/52/96/05/368529605.db2.gz TXPLSTSXEUOSGO-UHFFFAOYSA-N 0 0 283.334 3.128 50 5 CGBARN O=c1oc(/C=C/c2ccc([N+](=O)[O-])cc2)nc2ccccc12 ZINC000004118181 368532202 /nfs/dbraw/zinc/53/22/02/368532202.db2.gz YLTSDKOGGWHGJN-JXMROGBWSA-N 0 0 294.266 3.267 50 5 CGBARN Cc1cc(C)c([N+](=O)[O-])c2oc(C(F)(F)F)cc(=O)c12 ZINC000004122108 368532210 /nfs/dbraw/zinc/53/22/10/368532210.db2.gz SJQYRFMYABUAQV-UHFFFAOYSA-N 0 0 287.193 3.337 50 5 CGBARN Nc1c2ccccc2oc1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000011919870 368599952 /nfs/dbraw/zinc/59/99/52/368599952.db2.gz LSIBMQYEKZVDLU-UHFFFAOYSA-N 0 0 297.270 3.176 50 5 CGBARN O=[N+]([O-])c1ccccc1Cc1nc2ccccc2[nH]1 ZINC000012420720 368613408 /nfs/dbraw/zinc/61/34/08/368613408.db2.gz BQHUXKDDEMNQKH-UHFFFAOYSA-N 0 0 253.261 3.062 50 5 CGBARN O=[N+]([O-])c1ncccc1OCc1ccc(Cl)cc1 ZINC000020031321 368793791 /nfs/dbraw/zinc/79/37/91/368793791.db2.gz RJCHLMMUWWBOSH-UHFFFAOYSA-N 0 0 264.668 3.222 50 5 CGBARN Cc1nc2cc([N+](=O)[O-])ccc2n1Cc1ccccc1 ZINC000028651925 368887684 /nfs/dbraw/zinc/88/76/84/368887684.db2.gz DKGAUUAVZGGUIJ-UHFFFAOYSA-N 0 0 267.288 3.301 50 5 CGBARN C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)C[C@H]1C=CCC1 ZINC000032748287 368942909 /nfs/dbraw/zinc/94/29/09/368942909.db2.gz YDVYKFHJGZWLOR-STQMWFEESA-N 0 0 288.347 3.471 50 5 CGBARN COc1ccc(NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)cc1 ZINC000033396326 368964188 /nfs/dbraw/zinc/96/41/88/368964188.db2.gz FHFMVOINLAKJIR-WCIBSUBMSA-N 0 0 298.298 3.255 50 5 CGBARN CCc1cc(Cl)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000036379696 369018749 /nfs/dbraw/zinc/01/87/49/369018749.db2.gz RSXIVHRRMXHXGD-UHFFFAOYSA-N 0 0 263.684 3.268 50 5 CGBARN C[C@H](OC(=O)c1ccncc1F)c1ccc([N+](=O)[O-])cc1 ZINC000074719006 369886560 /nfs/dbraw/zinc/88/65/60/369886560.db2.gz OKLPGLSMJCHFTE-VIFPVBQESA-N 0 0 290.250 3.047 50 5 CGBARN Cc1nn([C@@H](C)c2ncc(C(C)(C)C)o2)c(C)c1[N+](=O)[O-] ZINC000089124263 370037481 /nfs/dbraw/zinc/03/74/81/370037481.db2.gz JRZPXDPPBIYOLU-JTQLQIEISA-N 0 0 292.339 3.303 50 5 CGBARN CCN(Cc1ccccn1)Cc1ccc([N+](=O)[O-])cc1F ZINC000089969262 370054080 /nfs/dbraw/zinc/05/40/80/370054080.db2.gz HAYKORBDHKWNGA-UHFFFAOYSA-N 0 0 289.310 3.151 50 5 CGBARN O=[N+]([O-])c1ccc(Cl)c(OC(F)(F)Cl)c1 ZINC000095215633 370177559 /nfs/dbraw/zinc/17/75/59/370177559.db2.gz AWIDOJQZODQVIJ-UHFFFAOYSA-N 0 0 258.007 3.416 50 5 CGBARN O=[N+]([O-])c1cccc(Br)c1OC(F)(F)F ZINC000095215561 370177671 /nfs/dbraw/zinc/17/76/71/370177671.db2.gz OJAZYANPLPDFGY-UHFFFAOYSA-N 0 0 286.003 3.256 50 5 CGBARN CC(C)CN(c1ccc([N+](=O)[O-])cc1F)C1CC1 ZINC000095356528 370177831 /nfs/dbraw/zinc/17/78/31/370177831.db2.gz OTHICKFANQDHLM-UHFFFAOYSA-N 0 0 252.289 3.359 50 5 CGBARN O=C1CC(c2ccccc2)=Nc2cc([N+](=O)[O-])ccc2N1 ZINC000100879732 370284221 /nfs/dbraw/zinc/28/42/21/370284221.db2.gz ONEIOXCYZXVBAW-UHFFFAOYSA-N 0 0 281.271 3.058 50 5 CGBARN CCCOc1cc([N+](=O)[O-])cc(Cl)c1OCC ZINC000261493780 190039897 /nfs/dbraw/zinc/03/98/97/190039897.db2.gz JBACJKKVCPJMLF-UHFFFAOYSA-N 0 0 259.689 3.436 50 5 CGBARN O=[N+]([O-])c1cc(Br)c(F)cc1OC(F)F ZINC000263622958 190070398 /nfs/dbraw/zinc/07/03/98/190070398.db2.gz CKXYVRXGMHKGBG-UHFFFAOYSA-N 0 0 286.003 3.098 50 5 CGBARN O=[N+]([O-])c1cc(OC(F)F)cc(OC(F)(F)F)c1 ZINC000263624104 190071075 /nfs/dbraw/zinc/07/10/75/190071075.db2.gz NKIGODGRRIDLLM-UHFFFAOYSA-N 0 0 273.113 3.095 50 5 CGBARN CCN(CC)C(=S)Sc1ccsc1[N+](=O)[O-] ZINC000239562636 376774561 /nfs/dbraw/zinc/77/45/61/376774561.db2.gz IBVAUQJFNJUDMQ-UHFFFAOYSA-N 0 0 276.408 3.375 50 5 CGBARN O=[N+]([O-])c1ccc(Oc2cccc(Cl)c2)nc1 ZINC000000092601 169533494 /nfs/dbraw/zinc/53/34/94/169533494.db2.gz WKTUEZNFBQUESF-UHFFFAOYSA-N 0 0 250.641 3.436 50 5 CGBARN COc1ccc([N+](=O)[O-])cc1NCc1ccccc1F ZINC000000294210 169599902 /nfs/dbraw/zinc/59/99/02/169599902.db2.gz OWMBLVHRLHTFFY-UHFFFAOYSA-N 0 0 276.267 3.355 50 5 CGBARN O=[N+]([O-])c1ccc(/C=C/[S@](=O)c2ccccc2)cc1 ZINC000000335240 169609823 /nfs/dbraw/zinc/60/98/23/169609823.db2.gz HEABPNKZQVICOM-GNISGLHKSA-N 0 0 273.313 3.373 50 5 CGBARN O=[N+]([O-])c1ccc(-n2ccc(C(F)(F)F)n2)c(Cl)c1 ZINC000035655561 285107733 /nfs/dbraw/zinc/10/77/33/285107733.db2.gz JUTCINMQEHLWPQ-UHFFFAOYSA-N 0 0 291.616 3.453 50 5 CGBARN O=[N+]([O-])c1ccc(N[C@@H]2CCCc3ccccc32)nc1 ZINC000023549932 285134717 /nfs/dbraw/zinc/13/47/17/285134717.db2.gz FPHIVFIZEDBOIU-CQSZACIVSA-N 0 0 269.304 3.479 50 5 CGBARN O=[N+]([O-])c1ccc(CSc2ccncc2)c(F)c1 ZINC000095430756 184981143 /nfs/dbraw/zinc/98/11/43/184981143.db2.gz FSFKWZOCLOWPHO-UHFFFAOYSA-N 0 0 264.281 3.421 50 5 CGBARN C[C@@H](C(=O)NCCc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000000471338 533265637 /nfs/dbraw/zinc/26/56/37/533265637.db2.gz RNQDJGLQALWBSA-CYBMUJFWSA-N 0 0 298.342 3.057 50 5 CGBARN Cc1cc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000004305249 391921305 /nfs/dbraw/zinc/92/13/05/391921305.db2.gz XNHNSVRIODMEBZ-SECBINFHSA-N 0 0 279.296 3.048 50 5 CGBARN CCOC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000015443079 391932667 /nfs/dbraw/zinc/93/26/67/391932667.db2.gz FVPWNXJDSFAPEO-UHFFFAOYSA-N 0 0 292.335 3.008 50 5 CGBARN CCSc1ncc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000261493868 393139660 /nfs/dbraw/zinc/13/96/60/393139660.db2.gz LBBFRFYBPXHKIR-UHFFFAOYSA-N 0 0 252.217 3.121 50 5 CGBARN Cc1ccc(C)c(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1 ZINC000000217769 292084600 /nfs/dbraw/zinc/08/46/00/292084600.db2.gz ICZNHRBXCSGDDY-UHFFFAOYSA-N 0 0 296.282 3.012 50 5 CGBARN CCN(c1ccccc1)c1c2nonc2ccc1[N+](=O)[O-] ZINC000003904270 169923164 /nfs/dbraw/zinc/92/31/64/169923164.db2.gz NFMGYXVKWUEPQY-UHFFFAOYSA-N 0 0 284.275 3.289 50 5 CGBARN O=[N+]([O-])c1ccc(NC(=S)Nc2cccc(O)c2)cc1 ZINC000004773887 170014881 /nfs/dbraw/zinc/01/48/81/170014881.db2.gz XGPAJDZHMYBTHC-UHFFFAOYSA-N 0 0 289.316 3.109 50 5 CGBARN O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1F ZINC000004856360 170031160 /nfs/dbraw/zinc/03/11/60/170031160.db2.gz OSFAXFYCBUFQLB-UHFFFAOYSA-N 0 0 278.214 3.125 50 5 CGBARN COc1cccc(Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 ZINC000005211006 170076654 /nfs/dbraw/zinc/07/66/54/170076654.db2.gz WQUJWAFXGOBBCX-UHFFFAOYSA-N 0 0 289.247 3.255 50 5 CGBARN O=C(NCc1ccccc1)OCc1ccc([N+](=O)[O-])cc1 ZINC000005736835 170135255 /nfs/dbraw/zinc/13/52/55/170135255.db2.gz DUNJWJJQJBAYAT-UHFFFAOYSA-N 0 0 286.287 3.021 50 5 CGBARN Cc1cccc(C(=O)Nc2ccc(F)cc2)c1[N+](=O)[O-] ZINC000006340449 170194147 /nfs/dbraw/zinc/19/41/47/170194147.db2.gz TUUIGNDJJNMAFL-UHFFFAOYSA-N 0 0 274.251 3.295 50 5 CGBARN Cc1ccc(OCc2nc3ccccc3o2)c([N+](=O)[O-])n1 ZINC000007229508 170273019 /nfs/dbraw/zinc/27/30/19/170273019.db2.gz KFCUXEQQSAHTGH-UHFFFAOYSA-N 0 0 285.259 3.018 50 5 CGBARN Cc1ccc(OCc2ccccc2C)c([N+](=O)[O-])n1 ZINC000007980785 170311382 /nfs/dbraw/zinc/31/13/82/170311382.db2.gz GYQXAWPAENXUSQ-UHFFFAOYSA-N 0 0 258.277 3.186 50 5 CGBARN O=[N+]([O-])c1c(Oc2ccc(F)c(F)c2)nc2sccn21 ZINC000008720231 170349452 /nfs/dbraw/zinc/34/94/52/170349452.db2.gz PAFDNQACRMDVKN-UHFFFAOYSA-N 0 0 297.242 3.375 50 5 CGBARN C[C@H](c1ccccc1)N(C)C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000012552729 170497279 /nfs/dbraw/zinc/49/72/79/170497279.db2.gz VRJKVMXFZZHYLE-CYBMUJFWSA-N 0 0 298.342 3.357 50 5 CGBARN O=[N+]([O-])c1cc2c(cc1SCc1ccco1)OCCO2 ZINC000012595016 170499717 /nfs/dbraw/zinc/49/97/17/170499717.db2.gz BJEOAXVOMSDNDN-UHFFFAOYSA-N 0 0 293.300 3.251 50 5 CGBARN Cn1cnc([N+](=O)[O-])c1Oc1cccc(C(F)(F)F)c1 ZINC000012629211 170501183 /nfs/dbraw/zinc/50/11/83/170501183.db2.gz IJRWNYBHJSWVIM-UHFFFAOYSA-N 0 0 287.197 3.139 50 5 CGBARN COc1ccc(/C=C\c2onc(C)c2[N+](=O)[O-])cc1 ZINC000016249579 170691860 /nfs/dbraw/zinc/69/18/60/170691860.db2.gz YTRXYZQOCQHIMO-YVMONPNESA-N 0 0 260.249 3.070 50 5 CGBARN O=[N+]([O-])c1cccnc1NCc1ccccc1Cl ZINC000020405185 171182079 /nfs/dbraw/zinc/18/20/79/171182079.db2.gz SQDPVHRCUACLHP-UHFFFAOYSA-N 0 0 263.684 3.255 50 5 CGBARN O=[N+]([O-])c1ccc(Oc2nccc(C(F)(F)F)n2)cc1 ZINC000043531941 175062448 /nfs/dbraw/zinc/06/24/48/175062448.db2.gz WRWXJFXXJQWMBB-UHFFFAOYSA-N 0 0 285.181 3.196 50 5 CGBARN CCCOC(=O)CCCCCCCCC[N+](=O)[O-] ZINC000045068420 175299913 /nfs/dbraw/zinc/29/99/13/175299913.db2.gz PKRVYDCJZIVPEU-UHFFFAOYSA-N 0 0 259.346 3.337 50 5 CGBARN O=[N+]([O-])c1ccc2c(cnn2Cc2cccc(F)c2)c1 ZINC000066352008 175758681 /nfs/dbraw/zinc/75/86/81/175758681.db2.gz FMBVHKPWDJQLNO-UHFFFAOYSA-N 0 0 271.251 3.132 50 5 CGBARN O=[N+]([O-])c1ccc2[nH]c(-c3cccc([N+](=O)[O-])c3)nc2c1 ZINC000002023514 275037498 /nfs/dbraw/zinc/03/74/98/275037498.db2.gz MIPOWFJJQUUMTF-UHFFFAOYSA-N 0 0 284.231 3.046 50 5 CGBARN COc1ccc([C@@H]2CC(=O)c3cc([N+](=O)[O-])ccc3O2)cc1 ZINC000032815414 277927451 /nfs/dbraw/zinc/92/74/51/277927451.db2.gz JARCUJRYABOTHZ-INIZCTEOSA-N 0 0 299.282 3.310 50 5 CGBARN C[C@H]1C[C@@H]1c1ccc(Br)cc1[N+](=O)[O-] ZINC000020064304 278486153 /nfs/dbraw/zinc/48/61/53/278486153.db2.gz RUXYGSMSWHYDEH-RCOVLWMOSA-N 0 0 256.099 3.481 50 5 CGBARN C[C@@H]1C[C@H](C)CN(c2cc(N(C)C)c([N+](=O)[O-])cc2F)C1 ZINC000013463899 278952872 /nfs/dbraw/zinc/95/28/72/278952872.db2.gz JAHUOBQQBWGLIM-PHIMTYICSA-N 0 0 295.358 3.282 50 5 CGBARN Cc1cc(Br)cc(Cl)c1[N+](=O)[O-] ZINC000263624936 280307707 /nfs/dbraw/zinc/30/77/07/280307707.db2.gz VIIBGLYSFWMZAF-UHFFFAOYSA-N 0 0 250.479 3.319 50 5 CGBARN O=[N+]([O-])c1c(Br)cccc1OC(F)(F)F ZINC000261493984 280353135 /nfs/dbraw/zinc/35/31/35/280353135.db2.gz NFPVIBSOQZDEIX-UHFFFAOYSA-N 0 0 286.003 3.256 50 5 CGBARN COc1cccc(/C=C\c2ccc([N+](=O)[O-])cn2)c1OC ZINC000531232834 288331177 /nfs/dbraw/zinc/33/11/77/288331177.db2.gz DBBYZNSERRMIHM-SREVYHEPSA-N 0 0 286.287 3.177 50 5 CGBARN Cc1ccc(/C=C2\C(=O)Nc3ccc([N+](=O)[O-])cc32)s1 ZINC000097015670 640852074 /nfs/dbraw/zinc/85/20/74/640852074.db2.gz PNNLJUREQVEMKC-GHXNOFRVSA-N 0 0 286.312 3.457 50 5 CGBARN COc1ncnc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000000040225 368275776 /nfs/dbraw/zinc/27/57/76/368275776.db2.gz KGIKMUWBWKYUPD-UHFFFAOYSA-N 0 0 297.723 3.198 50 5 CGBARN O=[N+]([O-])/C(=C\Sc1ccccn1)c1ccccc1 ZINC000000045637 368277453 /nfs/dbraw/zinc/27/74/53/368277453.db2.gz MINGKRFOXSPJKB-BENRWUELSA-N 0 0 258.302 3.449 50 5 CGBARN Cc1nn(C)c(Sc2ccc(C)cc2)c1[N+](=O)[O-] ZINC000000079538 368283748 /nfs/dbraw/zinc/28/37/48/368283748.db2.gz BVLQJEDMJVEDCH-UHFFFAOYSA-N 0 0 263.322 3.096 50 5 CGBARN COc1cccc2c1O[C@@H](c1ccccc1)C([N+](=O)[O-])=C2 ZINC000000089008 368285262 /nfs/dbraw/zinc/28/52/62/368285262.db2.gz VZZMTGKGLHHYIS-HNNXBMFYSA-N 0 0 283.283 3.447 50 5 CGBARN C[C@H]1C[C@H](C)CN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000000102195 368289143 /nfs/dbraw/zinc/28/91/43/368289143.db2.gz LJVWVOJPPPDGSV-UWVGGRQHSA-N 0 0 296.754 3.366 50 5 CGBARN Cc1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1C ZINC000000129458 368297655 /nfs/dbraw/zinc/29/76/55/368297655.db2.gz XSNUEJZCZSOLCV-UHFFFAOYSA-N 0 0 271.272 3.431 50 5 CGBARN O=C(CSC1=NCCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000000172018 368308155 /nfs/dbraw/zinc/30/81/55/368308155.db2.gz PEJBRULAMRRRSS-UHFFFAOYSA-N 0 0 292.360 3.483 50 5 CGBARN O=[N+]([O-])c1cccc2c1C(F)(F)C(F)(F)C2(F)F ZINC000000451563 368369094 /nfs/dbraw/zinc/36/90/94/368369094.db2.gz ZDSHVCAHEXCNAV-UHFFFAOYSA-N 0 0 271.116 3.427 50 5 CGBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccccc1F ZINC000000255655 368325995 /nfs/dbraw/zinc/32/59/95/368325995.db2.gz YTWGLSDHLPGWFB-UHFFFAOYSA-N 0 0 274.251 3.295 50 5 CGBARN Cc1nc(-c2ccccc2)nn1-c1ccc([N+](=O)[O-])cc1 ZINC000000338810 368343139 /nfs/dbraw/zinc/34/31/39/368343139.db2.gz JXEWDROHALNZJK-UHFFFAOYSA-N 0 0 280.287 3.151 50 5 CGBARN O=[N+]([O-])c1ccc2[nH]c(CCc3ccccc3)nc2c1 ZINC000000353955 368345948 /nfs/dbraw/zinc/34/59/48/368345948.db2.gz BBEFGPVDVHOKRK-UHFFFAOYSA-N 0 0 267.288 3.256 50 5 CGBARN Cc1cc(C(=O)Nc2cccc([N+](=O)[O-])c2)c(C)o1 ZINC000000370959 368350529 /nfs/dbraw/zinc/35/05/29/368350529.db2.gz AVMKSJCYSAHBPQ-UHFFFAOYSA-N 0 0 260.249 3.057 50 5 CGBARN O=[N+]([O-])c1ccc([C@@H]2NN=C(c3ccccc3)S2)cc1 ZINC000000432435 368364956 /nfs/dbraw/zinc/36/49/56/368364956.db2.gz YPVGQAHRBVUJCR-CQSZACIVSA-N 0 0 285.328 3.292 50 5 CGBARN O=Cc1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 ZINC000000541997 368385661 /nfs/dbraw/zinc/38/56/61/368385661.db2.gz VXFBRDXWYWWDJO-UHFFFAOYSA-N 0 0 251.625 3.321 50 5 CGBARN Cc1ncc([N+](=O)[O-])n1Cc1ccc2ccccc2c1 ZINC000000794561 368395044 /nfs/dbraw/zinc/39/50/44/368395044.db2.gz BZTQXMHYHPMXKT-UHFFFAOYSA-N 0 0 267.288 3.301 50 5 CGBARN CN(C(=O)Nc1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000002171363 368448208 /nfs/dbraw/zinc/44/82/08/368448208.db2.gz UNJLMWWAZIDQFL-UHFFFAOYSA-N 0 0 277.324 3.391 50 5 CGBARN CCCCN(CC)C(=O)c1cccc([N+](=O)[O-])c1C ZINC000002743564 368475019 /nfs/dbraw/zinc/47/50/19/368475019.db2.gz OCDZRLIZDCJWGK-UHFFFAOYSA-N 0 0 264.325 3.165 50 5 CGBARN O=C1OCC(c2ccccc2)=C1c1ccccc1[N+](=O)[O-] ZINC000003240215 368497870 /nfs/dbraw/zinc/49/78/70/368497870.db2.gz MEUNBHFVIAGGMJ-UHFFFAOYSA-N 0 0 281.267 3.062 50 5 CGBARN Cc1ccc([N+](=O)[O-])c(C(=O)Nc2cccnc2Cl)c1 ZINC000004105506 368531084 /nfs/dbraw/zinc/53/10/84/368531084.db2.gz DQCYJCGBLZUTSO-UHFFFAOYSA-N 0 0 291.694 3.204 50 5 CGBARN COc1ccc(C)cc1NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000003451798 368508444 /nfs/dbraw/zinc/50/84/44/368508444.db2.gz YNTFBDFQYSPKSW-UHFFFAOYSA-N 0 0 292.316 3.226 50 5 CGBARN CCC[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000004599563 368553435 /nfs/dbraw/zinc/55/34/35/368553435.db2.gz QIXBISKXRSQSFL-SECBINFHSA-N 0 0 250.298 3.278 50 5 CGBARN COc1ccccc1C(=O)Nc1ccc(C)cc1[N+](=O)[O-] ZINC000004646642 368554284 /nfs/dbraw/zinc/55/42/84/368554284.db2.gz BOPSNULJMNISAS-UHFFFAOYSA-N 0 0 286.287 3.164 50 5 CGBARN Cc1cccnc1NC(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000005041448 368560353 /nfs/dbraw/zinc/56/03/53/368560353.db2.gz OCVSUATZCLVOFJ-UHFFFAOYSA-N 0 0 288.332 3.107 50 5 CGBARN O=C(Nc1ccc(O)cc1)c1cc([N+](=O)[O-])ccc1Cl ZINC000004219026 368536234 /nfs/dbraw/zinc/53/62/34/368536234.db2.gz CGKVYRMRNZJQNG-UHFFFAOYSA-N 0 0 292.678 3.206 50 5 CGBARN O=c1sc2ccccc2n1Cc1cccc([N+](=O)[O-])c1 ZINC000005740053 368565136 /nfs/dbraw/zinc/56/51/36/368565136.db2.gz UKSLBJNNGYTPMH-UHFFFAOYSA-N 0 0 286.312 3.020 50 5 CGBARN COc1ccccc1Nc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000012082669 368603678 /nfs/dbraw/zinc/60/36/78/368603678.db2.gz YKGHIGRDECDNED-UHFFFAOYSA-N 0 0 296.286 3.290 50 5 CGBARN Cc1ccc(-c2nc(Cn3cnc([N+](=O)[O-])c3)co2)c(C)c1 ZINC000012520598 368616020 /nfs/dbraw/zinc/61/60/20/368616020.db2.gz NZFLFIPGKVYNPX-UHFFFAOYSA-N 0 0 298.302 3.111 50 5 CGBARN Cc1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)c(F)c1 ZINC000012763589 368625596 /nfs/dbraw/zinc/62/55/96/368625596.db2.gz MWCUXRIZDOKUAE-UHFFFAOYSA-N 0 0 288.278 3.224 50 5 CGBARN Cc1ccc(NC(=O)Cc2cccc(F)c2)cc1[N+](=O)[O-] ZINC000015410284 368694922 /nfs/dbraw/zinc/69/49/22/368694922.db2.gz NAONRXDTXFTPEU-UHFFFAOYSA-N 0 0 288.278 3.224 50 5 CGBARN Cc1cc([N+](=O)[O-])c(Cl)cc1I ZINC000014986043 368686875 /nfs/dbraw/zinc/68/68/75/368686875.db2.gz QKCJKTFOGQXDPE-UHFFFAOYSA-N 0 0 297.479 3.161 50 5 CGBARN O=[N+]([O-])c1ccc([C@H]2NCCCN2Cc2ccccc2)cc1 ZINC000019320991 368748980 /nfs/dbraw/zinc/74/89/80/368748980.db2.gz JSDHCEQSDXLMIB-KRWDZBQOSA-N 0 0 297.358 3.089 50 5 CGBARN O=[N+]([O-])c1cccc(Cn2cnc3cc(F)c(F)cc32)c1 ZINC000024380273 368830610 /nfs/dbraw/zinc/83/06/10/368830610.db2.gz MHOCXHAOFPAXBX-UHFFFAOYSA-N 0 0 289.241 3.271 50 5 CGBARN CC(C)=CC(=O)N(C)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000025829621 368853599 /nfs/dbraw/zinc/85/35/99/368853599.db2.gz NGCMJSDAWWCEPT-NSHDSACASA-N 0 0 262.309 3.080 50 5 CGBARN C[C@@H](Nc1ccc([N+](=O)[O-])cn1)c1ccc(F)cc1F ZINC000036781876 369028705 /nfs/dbraw/zinc/02/87/05/369028705.db2.gz UBVCLFVZUDDZKH-MRVPVSSYSA-N 0 0 279.246 3.441 50 5 CGBARN CC(C)Oc1c(Br)cc(F)cc1[N+](=O)[O-] ZINC000085477196 370019108 /nfs/dbraw/zinc/01/91/08/370019108.db2.gz RTBBAMMIBRXCEE-UHFFFAOYSA-N 0 0 278.077 3.284 50 5 CGBARN Nc1nc2c(c3c4ccccc4oc(=O)c13)CCCCC2 ZINC000095299521 370177494 /nfs/dbraw/zinc/17/74/94/370177494.db2.gz URYXWVRUZMNEGT-UHFFFAOYSA-N 0 0 280.327 3.192 50 5 CGBARN Cc1cc([N+](=O)[O-])ccc1NC[C@H]1CCO[C@H](C)C1 ZINC000095458009 370197115 /nfs/dbraw/zinc/19/71/15/370197115.db2.gz VMSRFJAESGQCHN-NEPJUHHUSA-N 0 0 264.325 3.130 50 5 CGBARN O=[N+]([O-])c1c(NCCC2CCCC2)nc2sccn21 ZINC000103016614 370316919 /nfs/dbraw/zinc/31/69/19/370316919.db2.gz YPTQOKJGEILDQL-UHFFFAOYSA-N 0 0 280.353 3.296 50 5 CGBARN O=[N+]([O-])c1ccc(OCCC(F)(F)F)c(F)c1 ZINC000169725323 372631340 /nfs/dbraw/zinc/63/13/40/372631340.db2.gz QORUVHUPYUIFRI-UHFFFAOYSA-N 0 0 253.151 3.065 50 5 CGBARN Cc1c(Br)c([N+](=O)[O-])ccc1OC(F)F ZINC000263623126 190070676 /nfs/dbraw/zinc/07/06/76/190070676.db2.gz DVTCXGKHKZAGSA-UHFFFAOYSA-N 0 0 282.040 3.267 50 5 CGBARN C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000000043857 169515403 /nfs/dbraw/zinc/51/54/03/169515403.db2.gz OTZYXPKYOAAGEU-NSHDSACASA-N 0 0 270.288 3.086 50 5 CGBARN COc1ccc([N+](=O)[O-])cc1Nc1ncnc2ccccc21 ZINC000000132626 169548396 /nfs/dbraw/zinc/54/83/96/169548396.db2.gz UIQSOOXEGYZKER-UHFFFAOYSA-N 0 0 296.286 3.290 50 5 CGBARN COc1ccc([N+](=O)[O-])cc1NC1CCCCC1 ZINC000000295100 169599833 /nfs/dbraw/zinc/59/98/33/169599833.db2.gz JMQJUZRDUVUYKB-UHFFFAOYSA-N 0 0 250.298 3.348 50 5 CGBARN COc1ccccc1OCc1cccc([N+](=O)[O-])c1 ZINC000000472133 169649765 /nfs/dbraw/zinc/64/97/65/169649765.db2.gz LYNCNWXRCAWAOY-UHFFFAOYSA-N 0 0 259.261 3.182 50 5 CGBARN O=C1c2ccccc2-c2c1cc([N+](=O)[O-])cc2Cl ZINC000001730711 285018967 /nfs/dbraw/zinc/01/89/67/285018967.db2.gz DTMFDFHSNCEHGI-UHFFFAOYSA-N 0 0 259.648 3.460 50 5 CGBARN O=[N+]([O-])c1c(Cl)cc(Cl)c([N+](=O)[O-])c1Cl ZINC000001680816 285076483 /nfs/dbraw/zinc/07/64/83/285076483.db2.gz BPMOJGOPWSCNHJ-UHFFFAOYSA-N 0 0 271.443 3.463 50 5 CGBARN COC[C@H](Nc1ccc([N+](=O)[O-])cc1)c1ccc(C)o1 ZINC000081010040 177754954 /nfs/dbraw/zinc/75/49/54/177754954.db2.gz UGZHIUOMMMJESS-ZDUSSCGKSA-N 0 0 276.292 3.296 50 5 CGBARN Nc1ccc([N+](=O)[O-])c(NCc2ccc3c(n2)CCCC3)c1 ZINC000282293932 195566313 /nfs/dbraw/zinc/56/63/13/195566313.db2.gz QUDFHTVKBAWPLE-UHFFFAOYSA-N 0 0 298.346 3.063 50 5 CGBARN Cc1ccc(CNc2cc(N)ccc2[N+](=O)[O-])s1 ZINC000328589470 392676526 /nfs/dbraw/zinc/67/65/26/392676526.db2.gz RLDJTKWDYNTUDJ-UHFFFAOYSA-N 0 0 263.322 3.159 50 5 CGBARN Cc1ccc([N+](=O)[O-])cc1N1C=CC(C)(C)NC1=S ZINC000054957293 292293301 /nfs/dbraw/zinc/29/33/01/292293301.db2.gz NXNALRCWULMEIA-UHFFFAOYSA-N 0 0 277.349 3.301 50 5 CGBARN CCCN(CCC)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000004776801 170015554 /nfs/dbraw/zinc/01/55/54/170015554.db2.gz GPCXMKCPLPHXMU-UHFFFAOYSA-N 0 0 265.313 3.249 50 5 CGBARN CCOC(=O)c1cccc(/C=C/c2ccc([N+](=O)[O-])cc2)n1 ZINC000005048072 170060873 /nfs/dbraw/zinc/06/08/73/170060873.db2.gz RAJAITRNDLKKLC-RMKNXTFCSA-N 0 0 298.298 3.337 50 5 CGBARN Cc1ccc(NC(=O)c2cccc(C)c2[N+](=O)[O-])cc1 ZINC000006152000 170179479 /nfs/dbraw/zinc/17/94/79/170179479.db2.gz BNACZIKKAFLTSU-UHFFFAOYSA-N 0 0 270.288 3.464 50 5 CGBARN O=C(/C=C/c1ccc([N+](=O)[O-])o1)Nc1ccccc1Cl ZINC000007068191 170266003 /nfs/dbraw/zinc/26/60/03/170266003.db2.gz GWJVFAFHYZCXQB-FNORWQNLSA-N 0 0 292.678 3.493 50 5 CGBARN CC(=O)CCc1ccc(Oc2ncccc2[N+](=O)[O-])cc1 ZINC000007186345 170270215 /nfs/dbraw/zinc/27/02/15/170270215.db2.gz DTXQXQAJBHETSR-UHFFFAOYSA-N 0 0 286.287 3.304 50 5 CGBARN O=C(OCc1ccc([N+](=O)[O-])cc1)C1(c2ccccc2)CC1 ZINC000007489920 170287129 /nfs/dbraw/zinc/28/71/29/170287129.db2.gz NYGJHTBBSZGHJU-UHFFFAOYSA-N 0 0 297.310 3.370 50 5 CGBARN O=C(c1cccc([N+](=O)[O-])c1)N1CC[C@@H]2CCCC[C@@H]2C1 ZINC000008161023 170321912 /nfs/dbraw/zinc/32/19/12/170321912.db2.gz VZIAEXVCIREFOC-GXTWGEPZSA-N 0 0 288.347 3.247 50 5 CGBARN CN(Cc1cccc(F)c1)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000009314111 170371426 /nfs/dbraw/zinc/37/14/26/170371426.db2.gz WGFMVFFKKWAQIA-UHFFFAOYSA-N 0 0 288.278 3.006 50 5 CGBARN Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c(F)c1 ZINC000010109638 170397695 /nfs/dbraw/zinc/39/76/95/170397695.db2.gz URYYSZSUHNZAKF-UHFFFAOYSA-N 0 0 274.251 3.295 50 5 CGBARN Cn1cnc([N+](=O)[O-])c1Sc1ccc(Cl)cc1 ZINC000013148536 170536680 /nfs/dbraw/zinc/53/66/80/170536680.db2.gz ABXJMGCTZDFESX-UHFFFAOYSA-N 0 0 269.713 3.133 50 5 CGBARN O=[N+]([O-])c1ccc2ncnc(NCc3ccccc3)c2c1 ZINC000013743125 170585681 /nfs/dbraw/zinc/58/56/81/170585681.db2.gz MUFPYUMPKFPPPJ-UHFFFAOYSA-N 0 0 280.287 3.150 50 5 CGBARN O=C(NCCSC1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000025245452 171451654 /nfs/dbraw/zinc/45/16/54/171451654.db2.gz ARIAQHQTBZFGSR-UHFFFAOYSA-N 0 0 294.376 3.000 50 5 CGBARN COc1ccccc1NC(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000033285150 171777039 /nfs/dbraw/zinc/77/70/39/171777039.db2.gz HYFGWJKNUHBMIF-KHPPLWFESA-N 0 0 298.298 3.255 50 5 CGBARN O=C(/C=C\c1cccs1)Nc1ccc([N+](=O)[O-])cc1 ZINC000033456185 171804308 /nfs/dbraw/zinc/80/43/08/171804308.db2.gz HFZOTMNAZZMVFP-FPLPWBNLSA-N 0 0 274.301 3.308 50 5 CGBARN Cc1nc(N2CCCC2)nc(Nc2ccccc2)c1[N+](=O)[O-] ZINC000038488484 174142677 /nfs/dbraw/zinc/14/26/77/174142677.db2.gz UJCCRTWUFRMNFO-UHFFFAOYSA-N 0 0 299.334 3.037 50 5 CGBARN Cc1cc([N+](=O)[O-])ccc1N[C@H]1OC(=O)c2ccccc21 ZINC000040476874 174283046 /nfs/dbraw/zinc/28/30/46/174283046.db2.gz IZRILQAUEZKKCW-AWEZNQCLSA-N 0 0 284.271 3.184 50 5 CGBARN O=[N+]([O-])c1ccc(-c2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1 ZINC000017433521 275034609 /nfs/dbraw/zinc/03/46/09/275034609.db2.gz XJIPBORERCFIIP-UHFFFAOYSA-N 0 0 284.231 3.046 50 5 CGBARN CCCc1cc2c3ccccc3oc(=O)c2c(NC(C)=O)n1 ZINC000100112046 276055613 /nfs/dbraw/zinc/05/56/13/276055613.db2.gz KJBQEEYXBKICPG-UHFFFAOYSA-N 0 0 296.326 3.252 50 5 aggregator CGBARN CC[C@H](C)Nc1c([N+](=O)[O-])cc(C)cc1[N+](=O)[O-] ZINC000004054659 276618767 /nfs/dbraw/zinc/61/87/67/276618767.db2.gz FRTZHUYOLKQDSU-QMMMGPOBSA-N 0 0 253.258 3.022 50 5 CGBARN C[C@@H](Oc1cccnc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000009157668 277645072 /nfs/dbraw/zinc/64/50/72/277645072.db2.gz KYTRLLSNJZCFMN-SECBINFHSA-N 0 0 262.240 3.269 50 5 CGBARN Cc1cc(N2CCCCCC2)c(F)cc1[N+](=O)[O-] ZINC000004004735 280548784 /nfs/dbraw/zinc/54/87/84/280548784.db2.gz YUHIHCSJJSJLJF-UHFFFAOYSA-N 0 0 252.289 3.423 50 5 CGBARN Cc1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000000261088 281352114 /nfs/dbraw/zinc/35/21/14/281352114.db2.gz QEPSIRAPSOKGGM-UHFFFAOYSA-N 0 0 256.261 3.156 50 5 CGBARN Cc1cn2cc(-c3cccc([N+](=O)[O-])c3)nc2s1 ZINC000036108814 281555956 /nfs/dbraw/zinc/55/59/56/281555956.db2.gz JNEYVESGYDQMHN-UHFFFAOYSA-N 0 0 259.290 3.279 50 5 CGBARN Cn1cnc([N+](=O)[O-])c1Oc1ccc(Cl)cc1Cl ZINC000008308623 294461717 /nfs/dbraw/zinc/46/17/17/294461717.db2.gz ARUKQPQUFCQQPJ-UHFFFAOYSA-N 0 0 288.090 3.427 50 5 CGBARN O=[N+]([O-])c1cccnc1N1CCCC[C@@H]1c1nccs1 ZINC000084357779 304810616 /nfs/dbraw/zinc/81/06/16/304810616.db2.gz SYNSVDNDPBUMMY-LLVKDONJSA-N 0 0 290.348 3.178 50 5 CGBARN C[C@@H]1CCC[C@H](NC(=O)c2cccc([N+](=O)[O-])c2)[C@H]1C ZINC000239231242 524408442 /nfs/dbraw/zinc/40/84/42/524408442.db2.gz VFAVJEWMCUMXJP-SUNKGSAMSA-N 0 0 276.336 3.149 50 5 CGBARN Cc1ccc(/C=C\C(=O)OCc2cccc([N+](=O)[O-])c2)o1 ZINC000035684464 639040360 /nfs/dbraw/zinc/04/03/60/639040360.db2.gz KNROVNLOHCVEPZ-FPLPWBNLSA-N 0 0 287.271 3.253 50 5 CGBARN O=C(/C=C\c1ccco1)Nc1cc([N+](=O)[O-])c(F)cc1F ZINC000096943435 640846727 /nfs/dbraw/zinc/84/67/27/640846727.db2.gz XTNCUTRYDAKEEV-ARJAWSKDSA-N 0 0 294.213 3.118 50 5 CGBARN CC[C@]1(C)CCN(C(=O)/C=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000098056564 640893907 /nfs/dbraw/zinc/89/39/07/640893907.db2.gz PRHYLBIKCRRTLV-XITLMJRVSA-N 0 0 288.347 3.257 50 5 CGBARN Cc1nc(N[C@@H](C)CC[C@@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000096472185 230379097 /nfs/dbraw/zinc/37/90/97/230379097.db2.gz OHHLBMPDNXQEHD-JQWIXIFHSA-N 0 0 279.340 3.058 50 5 CGBARN O=[N+]([O-])c1cc(OC(F)(F)F)ccc1Br ZINC000085221817 178981046 /nfs/dbraw/zinc/98/10/46/178981046.db2.gz LHWANFWEBHKYCZ-UHFFFAOYSA-N 0 0 286.003 3.256 50 5 CGBARN Cc1ccccc1OC(=O)c1ccccc1[N+](=O)[O-] ZINC000000038471 368274831 /nfs/dbraw/zinc/27/48/31/368274831.db2.gz OGRVMCXNAXLYIJ-UHFFFAOYSA-N 0 0 257.245 3.122 50 5 CGBARN Cc1cc(O)cc(C)c1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000000092386 368287257 /nfs/dbraw/zinc/28/72/57/368287257.db2.gz VPENAHFLUKWNNH-UHFFFAOYSA-N 0 0 286.287 3.170 50 5 CGBARN Cc1ccc2c(c1)N[C@H](c1ccc([N+](=O)[O-])s1)O2 ZINC000000094464 368288514 /nfs/dbraw/zinc/28/85/14/368288514.db2.gz MRQKORNRKUHPBW-LBPRGKRZSA-N 0 0 262.290 3.468 50 5 CGBARN CCOc1ccccc1OC(=O)c1ccccc1[N+](=O)[O-] ZINC000000131442 368298338 /nfs/dbraw/zinc/29/83/38/368298338.db2.gz UAUOXVKCEUAWFR-UHFFFAOYSA-N 0 0 287.271 3.213 50 5 CGBARN COc1ccc(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)cc1 ZINC000000160202 368306153 /nfs/dbraw/zinc/30/61/53/368306153.db2.gz XXFQJRUXVZLXFL-UHFFFAOYSA-N 0 0 291.690 3.488 50 5 CGBARN CCN(C(=O)c1ccc([N+](=O)[O-])o1)c1ccccc1C ZINC000000271930 368328866 /nfs/dbraw/zinc/32/88/66/368328866.db2.gz RXGXZEAOSOCXLI-UHFFFAOYSA-N 0 0 274.276 3.163 50 5 CGBARN CCOc1ccc(-c2ccc(C=O)o2)c([N+](=O)[O-])c1 ZINC000000310834 368338292 /nfs/dbraw/zinc/33/82/92/368338292.db2.gz FEOHVFLYDSZEIO-UHFFFAOYSA-N 0 0 261.233 3.066 50 5 CGBARN Cc1cccc(C(=O)Nc2ccc(F)cc2F)c1[N+](=O)[O-] ZINC000000463560 368372032 /nfs/dbraw/zinc/37/20/32/368372032.db2.gz ISYUDSKQJHUZJG-UHFFFAOYSA-N 0 0 292.241 3.434 50 5 CGBARN Cc1cccc(C(=O)Nc2ccccc2F)c1[N+](=O)[O-] ZINC000000465408 368373229 /nfs/dbraw/zinc/37/32/29/368373229.db2.gz QPTMNZPMNRLXKZ-UHFFFAOYSA-N 0 0 274.251 3.295 50 5 CGBARN C[C@H](C(=O)N1CCCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000000472187 368374140 /nfs/dbraw/zinc/37/41/40/368374140.db2.gz SWSILUNMROCEHX-LBPRGKRZSA-N 0 0 276.336 3.101 50 5 CGBARN O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)c1ccccc1 ZINC000001514456 368417771 /nfs/dbraw/zinc/41/77/71/368417771.db2.gz LRKDVUXDYWCBTF-UHFFFAOYSA-N 0 0 299.311 3.457 50 5 CGBARN O=c1ccc2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2o1 ZINC000002954535 368485440 /nfs/dbraw/zinc/48/54/40/368485440.db2.gz XWIYBJNOBJDJGD-UHFFFAOYSA-N 0 0 297.266 3.280 50 5 CGBARN Cc1cc([N+](=O)[O-])ccc1NC(=O)c1cccc(F)c1 ZINC000004150571 368533766 /nfs/dbraw/zinc/53/37/66/368533766.db2.gz NLUINASLRWXXCF-UHFFFAOYSA-N 0 0 274.251 3.295 50 5 CGBARN COc1ccc(CNc2ccccc2[N+](=O)[O-])cc1 ZINC000004182580 368535189 /nfs/dbraw/zinc/53/51/89/368535189.db2.gz KLPVHDQLXCJUOA-UHFFFAOYSA-N 0 0 258.277 3.216 50 5 CGBARN Cc1cc(C(=O)Nc2c(F)cccc2F)ccc1[N+](=O)[O-] ZINC000012598993 368621250 /nfs/dbraw/zinc/62/12/50/368621250.db2.gz IJDATBFVMWCOEB-UHFFFAOYSA-N 0 0 292.241 3.434 50 5 CGBARN Cc1ccccc1CNC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000012599346 368621355 /nfs/dbraw/zinc/62/13/55/368621355.db2.gz ZBENQDUUHHJDLY-UHFFFAOYSA-N 0 0 284.315 3.142 50 5 CGBARN O=C(Nc1cccc(F)c1)c1ccc([N+](=O)[O-])s1 ZINC000012735434 368624044 /nfs/dbraw/zinc/62/40/44/368624044.db2.gz IKROZGLCRCGLBN-UHFFFAOYSA-N 0 0 266.253 3.048 50 5 CGBARN CCCCc1nnc(SCc2ccc([N+](=O)[O-])cc2)[nH]1 ZINC000013523026 368656068 /nfs/dbraw/zinc/65/60/68/368656068.db2.gz CZGDJDCQJLWJBZ-UHFFFAOYSA-N 0 0 292.364 3.348 50 5 CGBARN CCCCOc1ccc(-c2csc(N)n2)cc1[N+](=O)[O-] ZINC000017439709 368733433 /nfs/dbraw/zinc/73/34/33/368733433.db2.gz BTDMZDZRYCCYAD-UHFFFAOYSA-N 0 0 293.348 3.479 50 5 CGBARN C[C@H](Nc1ccc([N+](=O)[O-])cn1)c1ccc(F)c(F)c1 ZINC000022806704 368812911 /nfs/dbraw/zinc/81/29/11/368812911.db2.gz KLRMHTOSDKABKJ-QMMMGPOBSA-N 0 0 279.246 3.441 50 5 CGBARN COc1ccc2c(c1)[nH]c1c2nc2cc(C)ccn21 ZINC000045067932 369274960 /nfs/dbraw/zinc/27/49/60/369274960.db2.gz DRMRPIYNRQGCJN-UHFFFAOYSA-N 0 0 251.289 3.286 50 5 CGBARN O=C1c2ccc([N+](=O)[O-])cc2N[C@H]2CCCCC[C@@H]12 ZINC000226759935 189778112 /nfs/dbraw/zinc/77/81/12/189778112.db2.gz PWENJZSMQGTTKI-PWSUYJOCSA-N 0 0 260.293 3.152 50 5 CGBARN C[C@H](NC(=O)N1CCCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000059853919 369581995 /nfs/dbraw/zinc/58/19/95/369581995.db2.gz RXGSQCGHBDUEGP-LBPRGKRZSA-N 0 0 291.351 3.241 50 5 CGBARN CCOc1ccc(NC(=O)c2ccsc2)c([N+](=O)[O-])c1 ZINC000061997209 369613697 /nfs/dbraw/zinc/61/36/97/369613697.db2.gz JZBUZYKBQSVYQG-UHFFFAOYSA-N 0 0 292.316 3.307 50 5 CGBARN CC(=O)Nc1ccc(/C=C/c2ccc([N+](=O)[O-])cn2)cc1 ZINC000084503339 370013309 /nfs/dbraw/zinc/01/33/09/370013309.db2.gz XFJYPNISGIWVSH-GORDUTHDSA-N 0 0 283.287 3.119 50 5 CGBARN O=[N+]([O-])c1ccc(N2CCCC[C@H]2c2nccs2)nc1 ZINC000089794287 370047450 /nfs/dbraw/zinc/04/74/50/370047450.db2.gz BMEYGIJRDGAMBF-NSHDSACASA-N 0 0 290.348 3.178 50 5 CGBARN C[C@@H](Nc1ncc([N+](=O)[O-])s1)[C@@H]1COc2ccccc21 ZINC000192510482 375759964 /nfs/dbraw/zinc/75/99/64/375759964.db2.gz FIVMJVMRTJETKU-SCZZXKLOSA-N 0 0 291.332 3.028 50 5 CGBARN O=[N+]([O-])c1cc(F)c(Br)cc1OC(F)F ZINC000263622725 190070324 /nfs/dbraw/zinc/07/03/24/190070324.db2.gz AIURQKKLRDOFRT-UHFFFAOYSA-N 0 0 286.003 3.098 50 5 CGBARN O=[N+]([O-])c1cc(Br)cc(OC(F)F)c1F ZINC000263624343 190071144 /nfs/dbraw/zinc/07/11/44/190071144.db2.gz PMNFQXSOISVQSP-UHFFFAOYSA-N 0 0 286.003 3.098 50 5 CGBARN COc1cc(NC[C@H](C)c2nccs2)ccc1[N+](=O)[O-] ZINC000230611168 376523673 /nfs/dbraw/zinc/52/36/73/376523673.db2.gz IUXUAYJOWJQBDR-VIFPVBQESA-N 0 0 293.348 3.276 50 5 CGBARN O=[N+]([O-])c1ccc([C@H]2NN=C(Cc3ccccc3)S2)cc1 ZINC000000432400 169639085 /nfs/dbraw/zinc/63/90/85/169639085.db2.gz WBUDSFZVSCFEFR-HNNXBMFYSA-N 0 0 299.355 3.486 50 5 CGBARN Cc1ccc(/C=C/C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)o1 ZINC000000433966 169639550 /nfs/dbraw/zinc/63/95/50/169639550.db2.gz WQQZBPHPFZCYKK-BQYQJAHWSA-N 0 0 286.287 3.457 50 5 CGBARN O=[N+]([O-])c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 ZINC000001648211 285138000 /nfs/dbraw/zinc/13/80/00/285138000.db2.gz MWAGUKZCDDRDCS-UHFFFAOYSA-N 0 0 260.205 3.295 50 5 CGBARN O=[N+]([O-])c1cc(C(F)(F)F)ccc1OC(F)F ZINC000095215435 184947561 /nfs/dbraw/zinc/94/75/61/184947561.db2.gz LMTLHFXJPWHRTA-UHFFFAOYSA-N 0 0 257.114 3.215 50 5 CGBARN CCOC(=O)c1ccc(N2CCCCCC2)c([N+](=O)[O-])c1 ZINC000015443119 391933149 /nfs/dbraw/zinc/93/31/49/391933149.db2.gz IIVYEGMLNKSGBO-UHFFFAOYSA-N 0 0 292.335 3.152 50 5 CGBARN Cc1nnc([C@@H](C)Oc2ccc([N+](=O)[O-])c(Cl)c2)o1 ZINC000096428864 392253957 /nfs/dbraw/zinc/25/39/57/392253957.db2.gz AKQOEUKJEDQYOH-ZCFIWIBFSA-N 0 0 283.671 3.080 50 5 CGBARN Cc1cccc([N+](=O)[O-])c1NC(=O)N(C)Cc1ccco1 ZINC000004760254 170012528 /nfs/dbraw/zinc/01/25/28/170012528.db2.gz RHNOYKAOJGADCF-UHFFFAOYSA-N 0 0 289.291 3.160 50 5 CGBARN Cc1c(C)c([N+](=O)[O-])ccc1NC(=O)CC(C)C ZINC000004872451 170034558 /nfs/dbraw/zinc/03/45/58/170034558.db2.gz RKWMTFMCAHFDSP-UHFFFAOYSA-N 0 0 250.298 3.196 50 5 CGBARN CC(=O)c1ccccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000005481309 170103406 /nfs/dbraw/zinc/10/34/06/170103406.db2.gz DZVMNHBAJBTQOO-UHFFFAOYSA-N 0 0 271.272 3.376 50 5 CGBARN Cc1occc1-c1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000007781169 170302169 /nfs/dbraw/zinc/30/21/69/170302169.db2.gz IJRPKACGALVVPX-UHFFFAOYSA-N 0 0 271.232 3.213 50 5 CGBARN Cc1[nH]nc(Nc2ccc(C(C)C)cc2)c1[N+](=O)[O-] ZINC000009013658 170361180 /nfs/dbraw/zinc/36/11/80/170361180.db2.gz VUBZWPIJXSBBHR-UHFFFAOYSA-N 0 0 260.297 3.493 50 5 CGBARN COc1ccc([C@H](C)N(C)c2ccc([N+](=O)[O-])cn2)cc1 ZINC000013011905 170527989 /nfs/dbraw/zinc/52/79/89/170527989.db2.gz LNPASEHCUGVLJC-NSHDSACASA-N 0 0 287.319 3.196 50 5 CGBARN Cc1ccccc1OCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000016902397 170714319 /nfs/dbraw/zinc/71/43/19/170714319.db2.gz KBZSYNFXJAPMHN-UHFFFAOYSA-N 0 0 283.287 3.359 50 5 CGBARN CCOC(=O)c1sc(-c2ccc([N+](=O)[O-])cc2)cc1N ZINC000037337699 173138862 /nfs/dbraw/zinc/13/88/62/173138862.db2.gz LUFNXFXZMZYAKC-UHFFFAOYSA-N 0 0 292.316 3.082 50 5 CGBARN CC(=O)Nc1ccc(-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000000365744 275488750 /nfs/dbraw/zinc/48/87/50/275488750.db2.gz BVLPGPPHLSHWBG-UHFFFAOYSA-N 0 0 256.261 3.220 50 5 CGBARN C[C@@H]1C[C@@H](C)CN(c2ccc([N+](=O)[O-])c(Cl)n2)C1 ZINC000220971997 277966536 /nfs/dbraw/zinc/96/65/36/277966536.db2.gz BKGPWAZBSWBYPL-RKDXNWHRSA-N 0 0 269.732 3.126 50 5 CGBARN O=[N+]([O-])c1ccc(N2CCCCC2)c2cccnc21 ZINC000003894068 280366030 /nfs/dbraw/zinc/36/60/30/280366030.db2.gz ZYFVIUFOUIEXNR-UHFFFAOYSA-N 0 0 257.293 3.133 50 5 CGBARN Cc1ccc2c(c1)N=C(c1ccc([N+](=O)[O-])cc1)CO2 ZINC000001404539 281078182 /nfs/dbraw/zinc/07/81/82/281078182.db2.gz YSVJRRGYSMLMHL-UHFFFAOYSA-N 0 0 268.272 3.416 50 5 CGBARN Cc1cc(C(=O)N(C(C)C)C(C)C)ccc1[N+](=O)[O-] ZINC000002737735 301079225 /nfs/dbraw/zinc/07/92/25/301079225.db2.gz ZFXKMXRMDAWWTM-UHFFFAOYSA-N 0 0 264.325 3.162 50 5 CGBARN N=C1Cc2ccccc2CN1c1ccc([N+](=O)[O-])cc1 ZINC000022782473 618442506 /nfs/dbraw/zinc/44/25/06/618442506.db2.gz ICVDCQVJKXGIEJ-UHFFFAOYSA-N 0 0 267.288 3.135 50 5 CGBARN CN1c2ccccc2/C(=C/c2ccc([N+](=O)[O-])cc2)C1=O ZINC000003345856 637561941 /nfs/dbraw/zinc/56/19/41/637561941.db2.gz VFEAEUAVLAWVNZ-UVTDQMKNSA-N 0 0 280.283 3.112 50 5 CGBARN Cc1[nH]c2ccccc2c1[C@H](C[N+](=O)[O-])c1ccco1 ZINC000000239472 368321873 /nfs/dbraw/zinc/32/18/73/368321873.db2.gz CFGJVNORMJDLID-GFCCVEGCSA-N 0 0 270.288 3.478 50 5 CGBARN O=C(CCc1ccccc1)Nc1cc([N+](=O)[O-])ccc1F ZINC000000038829 368274533 /nfs/dbraw/zinc/27/45/33/368274533.db2.gz PIOCXBGIUURWJF-UHFFFAOYSA-N 0 0 288.278 3.305 50 5 CGBARN O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCCCCC1 ZINC000000123359 368296000 /nfs/dbraw/zinc/29/60/00/368296000.db2.gz DGXBCDHEOUKEEE-UHFFFAOYSA-N 0 0 282.727 3.264 50 5 CGBARN O=C(Nc1ccc2c(c1)CCC2)c1cccc([N+](=O)[O-])c1 ZINC000000251012 368325140 /nfs/dbraw/zinc/32/51/40/368325140.db2.gz MFVSRDVRQCNZQK-UHFFFAOYSA-N 0 0 282.299 3.336 50 5 CGBARN O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1cccc(F)c1 ZINC000000258812 368326744 /nfs/dbraw/zinc/32/67/44/368326744.db2.gz LXBQHJMCULDZRR-BQYQJAHWSA-N 0 0 286.262 3.386 50 5 CGBARN Cc1ccc(NC(=O)c2ccc(F)c([N+](=O)[O-])c2)cc1 ZINC000000258380 368327099 /nfs/dbraw/zinc/32/70/99/368327099.db2.gz CCJXZPIYYUBHNY-UHFFFAOYSA-N 0 0 274.251 3.295 50 5 CGBARN Cn1nc([N+](=O)[O-])nc1Sc1ccc(C(C)(C)C)cc1 ZINC000000301780 368337274 /nfs/dbraw/zinc/33/72/74/368337274.db2.gz PMDBJKNHOOVDOO-UHFFFAOYSA-N 0 0 292.364 3.172 50 5 CGBARN O=C(OCc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000000466892 368372794 /nfs/dbraw/zinc/37/27/94/368372794.db2.gz NBIPXZQCHARQKV-UHFFFAOYSA-N 0 0 275.235 3.091 50 5 CGBARN Cc1c(NC(=O)NC2CCCCC2)cccc1[N+](=O)[O-] ZINC000000556204 368387984 /nfs/dbraw/zinc/38/79/84/368387984.db2.gz JMRIAASYVNSRPN-UHFFFAOYSA-N 0 0 277.324 3.357 50 5 CGBARN Cc1cc(C(=O)c2ccc([N+](=O)[O-])cc2)ccc1F ZINC000002514080 368459456 /nfs/dbraw/zinc/45/94/56/368459456.db2.gz ZRIDZCNDZSXRSY-UHFFFAOYSA-N 0 0 259.236 3.273 50 5 CGBARN Cc1ccsc1C(=O)OCc1ccc([N+](=O)[O-])cc1 ZINC000003248417 368499079 /nfs/dbraw/zinc/49/90/79/368499079.db2.gz RGWNPBZXTHWRKT-UHFFFAOYSA-N 0 0 277.301 3.322 50 5 CGBARN CC(=O)Nc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 ZINC000003156695 368494077 /nfs/dbraw/zinc/49/40/77/368494077.db2.gz CINNPJKMBVNUMO-UHFFFAOYSA-N 0 0 272.260 3.346 50 5 CGBARN O=C(Nc1ccc([N+](=O)[O-])cc1)[C@H]1C[C@@H]1c1ccccc1 ZINC000004012181 368526239 /nfs/dbraw/zinc/52/62/39/368526239.db2.gz VQBXJAHKWCTDEL-CABCVRRESA-N 0 0 282.299 3.337 50 5 CGBARN CC(=O)c1ccc(C(=O)OCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000004677299 368555309 /nfs/dbraw/zinc/55/53/09/368555309.db2.gz SJSSFQBAKRKVOF-UHFFFAOYSA-N 0 0 299.282 3.154 50 5 CGBARN C[C@@H]1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC000004679790 368556181 /nfs/dbraw/zinc/55/61/81/368556181.db2.gz YNVAQOXIURTABG-GYSYKLTISA-N 0 0 276.336 3.149 50 5 CGBARN CCCN(CCC)c1c2ccccc2oc(=O)c1[N+](=O)[O-] ZINC000004311241 368542497 /nfs/dbraw/zinc/54/24/97/368542497.db2.gz YXNQAAAQDAFEDN-UHFFFAOYSA-N 0 0 290.319 3.328 50 5 CGBARN C[C@@H](Nc1ncccc1[N+](=O)[O-])c1ccc(F)cc1F ZINC000024107680 368828647 /nfs/dbraw/zinc/82/86/47/368828647.db2.gz YPANABFFHAAFGD-MRVPVSSYSA-N 0 0 279.246 3.441 50 5 CGBARN CCc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)o1 ZINC000024905652 368837320 /nfs/dbraw/zinc/83/73/20/368837320.db2.gz DLUCIJHCRRBODB-UHFFFAOYSA-N 0 0 274.276 3.311 50 5 CGBARN Cc1cccc([N+](=O)[O-])c1N(C(=O)C(C)C)C(=O)C(C)C ZINC000066089531 369688501 /nfs/dbraw/zinc/68/85/01/369688501.db2.gz KUUIVQHJSUZKHY-UHFFFAOYSA-N 0 0 292.335 3.075 50 5 CGBARN Cc1ccc(COc2c(C)cc([N+](=O)[O-])cc2N)cc1 ZINC000334161101 206124048 /nfs/dbraw/zinc/12/40/48/206124048.db2.gz TUGAMFIJODKZFG-UHFFFAOYSA-N 0 0 272.304 3.373 50 5 CGBARN O=[N+]([O-])c1ccnc(OC2CCCCC2)c1Cl ZINC000261494210 190039652 /nfs/dbraw/zinc/03/96/52/190039652.db2.gz RYGFPRFDFBAUCJ-UHFFFAOYSA-N 0 0 256.689 3.355 50 5 CGBARN CCCCOc1ncc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000261494164 190039700 /nfs/dbraw/zinc/03/97/00/190039700.db2.gz RICOTDOSTKGFGI-UHFFFAOYSA-N 0 0 264.203 3.188 50 5 CGBARN O=[N+]([O-])c1cc(OC(F)F)c(F)cc1Br ZINC000263623789 190070622 /nfs/dbraw/zinc/07/06/22/190070622.db2.gz KSCNYVTXGFTRPX-UHFFFAOYSA-N 0 0 286.003 3.098 50 5 CGBARN Cc1cc(OC(F)F)c(Br)c([N+](=O)[O-])c1 ZINC000263624425 190070919 /nfs/dbraw/zinc/07/09/19/190070919.db2.gz QIMKJHCMPXMYLS-UHFFFAOYSA-N 0 0 282.040 3.267 50 5 CGBARN O=[N+]([O-])c1ccc(OC(F)(F)F)cc1OC(F)F ZINC000263624598 190071248 /nfs/dbraw/zinc/07/12/48/190071248.db2.gz RVYOTJGTBPPZLE-UHFFFAOYSA-N 0 0 273.113 3.095 50 5 CGBARN Cc1nc(CN(C)CCc2ccccc2[N+](=O)[O-])cs1 ZINC000241326110 376779178 /nfs/dbraw/zinc/77/91/78/376779178.db2.gz LZIRLAVXQYABLR-UHFFFAOYSA-N 0 0 291.376 3.034 50 5 CGBARN Cc1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000000069319 169525288 /nfs/dbraw/zinc/52/52/88/169525288.db2.gz FDDBCXOUHQZYFF-UHFFFAOYSA-N 0 0 256.261 3.156 50 5 CGBARN O=[N+]([O-])c1ccc(-c2nnc(-c3cccs3)o2)cc1 ZINC000000187421 169568183 /nfs/dbraw/zinc/56/81/83/169568183.db2.gz DHVSQLICXHFNHX-UHFFFAOYSA-N 0 0 273.273 3.373 50 5 CGBARN O=C1Nc2cc(Cl)ccc2/C1=C/c1ccc([N+](=O)[O-])o1 ZINC000058304516 284925958 /nfs/dbraw/zinc/92/59/58/284925958.db2.gz AJSIPWXPVGYAON-POHAHGRESA-N 0 0 290.662 3.334 50 5 CGBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)CC(C)(C)C ZINC000000372623 169621335 /nfs/dbraw/zinc/62/13/35/169621335.db2.gz HDZAWWWMWSXERO-UHFFFAOYSA-N 0 0 250.298 3.278 50 5 CGBARN O=[N+]([O-])c1ccc2[nH]c3nc4ccccc4nc3c2c1 ZINC000003100631 285141443 /nfs/dbraw/zinc/14/14/43/285141443.db2.gz DVCQVUGEZJGWFY-UHFFFAOYSA-N 0 0 264.244 3.173 50 5 CGBARN O=[N+]([O-])c1cccc(-c2cn3c(n2)Cc2ccccc2C3)c1 ZINC000000337641 285152726 /nfs/dbraw/zinc/15/27/26/285152726.db2.gz LBRLJERWEFMOLH-UHFFFAOYSA-N 0 0 291.310 3.411 50 5 CGBARN O=[N+]([O-])c1ccccc1[C@H]1CC(c2ccccc2)=NN1 ZINC000000175260 285165422 /nfs/dbraw/zinc/16/54/22/285165422.db2.gz JHZNFRUVABFCJF-CQSZACIVSA-N 0 0 267.288 3.034 50 5 CGBARN CC[C@@H](Nc1ccc([N+](=O)[O-])c(C)n1)c1cnn(CC)c1 ZINC000095414963 184972527 /nfs/dbraw/zinc/97/25/27/184972527.db2.gz AUAPWTXMCHRASI-GFCCVEGCSA-N 0 0 289.339 3.078 50 5 CGBARN C[C@@H](O)c1ccc(CNc2ccc(F)cc2[N+](=O)[O-])cc1 ZINC000053601902 392086326 /nfs/dbraw/zinc/08/63/26/392086326.db2.gz JTGUKKOAWABARD-SNVBAGLBSA-N 0 0 290.294 3.399 50 5 CGBARN c1csc(-c2nc3nonc3c3nc4ccccc4n32)c1 ZINC000004626550 285566118 /nfs/dbraw/zinc/56/61/18/285566118.db2.gz KUAHXZNRGAGUFN-UHFFFAOYSA-N 0 0 293.311 3.147 50 5 CGBARN Cc1c(NC=C2C(=O)Nc3ccccc32)cccc1[N+](=O)[O-] ZINC000004801146 170019478 /nfs/dbraw/zinc/01/94/78/170019478.db2.gz OTPWWMQHQWULRK-XFXZXTDPSA-N 0 0 295.298 3.308 50 5 CGBARN O=C(Nc1ccccc1F)Nc1ccccc1[N+](=O)[O-] ZINC000005041706 170059643 /nfs/dbraw/zinc/05/96/43/170059643.db2.gz AMVFBTOVLDQQAV-UHFFFAOYSA-N 0 0 275.239 3.378 50 5 CGBARN O=C(Oc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1F ZINC000005635292 170122517 /nfs/dbraw/zinc/12/25/17/170122517.db2.gz DQJHWXBYFHJRTA-UHFFFAOYSA-N 0 0 279.198 3.092 50 5 CGBARN CCCC[C@@H](CC)CNC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000006042911 170171458 /nfs/dbraw/zinc/17/14/58/170171458.db2.gz YZFJBBCPINLPBJ-CYBMUJFWSA-N 0 0 292.379 3.470 50 5 CGBARN O=[N+]([O-])c1ccc(/C=C\[S@@](=O)c2ccccc2)cc1 ZINC000006112253 170176731 /nfs/dbraw/zinc/17/67/31/170176731.db2.gz HEABPNKZQVICOM-GDWUOILNSA-N 0 0 273.313 3.373 50 5 CGBARN O=C(OCc1cnc(Cl)s1)c1ccc([N+](=O)[O-])cc1 ZINC000006221407 170183488 /nfs/dbraw/zinc/18/34/88/170183488.db2.gz OKDAXXUCUMQSNY-UHFFFAOYSA-N 0 0 298.707 3.062 50 5 CGBARN O=C(OCc1ccccc1F)c1ccc([N+](=O)[O-])cc1 ZINC000006679293 170225839 /nfs/dbraw/zinc/22/58/39/170225839.db2.gz LJVFYXKGFKINFM-UHFFFAOYSA-N 0 0 275.235 3.091 50 5 CGBARN O=[N+]([O-])c1ccccc1OCc1nc2ccccc2o1 ZINC000008428014 170335974 /nfs/dbraw/zinc/33/59/74/170335974.db2.gz KSDBXGCXDXZMGT-UHFFFAOYSA-N 0 0 270.244 3.315 50 5 CGBARN COc1ccccc1OCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000020897513 171278468 /nfs/dbraw/zinc/27/84/68/171278468.db2.gz VZPUODBRSFBHNJ-UHFFFAOYSA-N 0 0 299.286 3.059 50 5 CGBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccsc1 ZINC000022590535 171393101 /nfs/dbraw/zinc/39/31/01/171393101.db2.gz DHBIJHIMJOGDEK-UHFFFAOYSA-N 0 0 262.290 3.217 50 5 CGBARN CC(=O)Nc1ccc(Oc2ccc(F)cc2[N+](=O)[O-])cc1 ZINC000025369659 171455436 /nfs/dbraw/zinc/45/54/36/171455436.db2.gz KRFIUYPPBCHOEV-UHFFFAOYSA-N 0 0 290.250 3.485 50 5 CGBARN C[C@@H](NC(=O)c1csc([N+](=O)[O-])c1)c1cccs1 ZINC000044315707 175162458 /nfs/dbraw/zinc/16/24/58/175162458.db2.gz HNIWWKYNEXTPNZ-SSDOTTSWSA-N 0 0 282.346 3.209 50 5 CGBARN Cc1ccoc1C(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000079630324 177529643 /nfs/dbraw/zinc/52/96/43/177529643.db2.gz XHLGLCJYRNVHBW-UHFFFAOYSA-N 0 0 288.303 3.161 50 5 CGBARN Cc1ccc(-n2ncc3c2cc([N+](=O)[O-])cc3[N+](=O)[O-])cc1 ZINC000003669638 274734730 /nfs/dbraw/zinc/73/47/30/274734730.db2.gz WBBFSGRHMPMNDA-UHFFFAOYSA-N 0 0 298.258 3.150 50 5 CGBARN CC(C)(C)c1cc(Br)c(N)c([N+](=O)[O-])c1 ZINC000036532764 275534345 /nfs/dbraw/zinc/53/43/45/275534345.db2.gz HLULCDGWDGAVKY-UHFFFAOYSA-N 0 0 273.130 3.237 50 5 CGBARN COc1cc2sc3ccccc3c(=O)c2cc1OC ZINC000004010379 277859021 /nfs/dbraw/zinc/85/90/21/277859021.db2.gz PSAMJLCXDLHGJY-UHFFFAOYSA-N 0 0 272.325 3.432 50 5 CGBARN Cc1cc(C(=O)N2C[C@@H](C)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000000102146 280339768 /nfs/dbraw/zinc/33/97/68/280339768.db2.gz YQVFNVMYAHQUOB-QWRGUYRKSA-N 0 0 276.336 3.021 50 5 CGBARN O=[N+]([O-])c1ccc(N2CCCC2)c(Cl)c1N1CCCC1 ZINC000005027106 280365995 /nfs/dbraw/zinc/36/59/95/280365995.db2.gz JKAGGFZCBJTHCZ-UHFFFAOYSA-N 0 0 295.770 3.449 50 5 CGBARN Cc1cc(C)c(NC(=O)c2ccc([N+](=O)[O-])cc2)c(C)n1 ZINC000097039890 280394117 /nfs/dbraw/zinc/39/41/17/280394117.db2.gz CQXWMIZJICDBSE-UHFFFAOYSA-N 0 0 285.303 3.167 50 5 CGBARN Cc1ccc2c(c1)CCCN2c1ccc([N+](=O)[O-])cn1 ZINC000012539351 281052390 /nfs/dbraw/zinc/05/23/90/281052390.db2.gz UZJIFMMMVXUGOE-UHFFFAOYSA-N 0 0 269.304 3.383 50 5 CGBARN O=C1C[C@@H](c2ccccc2[N+](=O)[O-])c2ccccc2N1 ZINC000000087682 304647016 /nfs/dbraw/zinc/64/70/16/304647016.db2.gz ZRGZXYFMFDBJQY-GFCCVEGCSA-N 0 0 268.272 3.069 50 5 CGBARN Cc1cc(C)n(-c2cc(Cl)ccc2[N+](=O)[O-])n1 ZINC000000258652 301234141 /nfs/dbraw/zinc/23/41/41/301234141.db2.gz VGFOBZCITTUJFF-UHFFFAOYSA-N 0 0 251.673 3.051 50 5 CGBARN C[C@@H](c1ccccc1)N(C)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000013010573 534099374 /nfs/dbraw/zinc/09/93/74/534099374.db2.gz UAQNBWDWDAFHPT-ZDUSSCGKSA-N 0 0 298.342 3.357 50 5 CGBARN Cc1cc(C(F)(F)F)nc2sc([N+](=O)[O-])c(N)c21 ZINC000005078070 344860932 /nfs/dbraw/zinc/86/09/32/344860932.db2.gz ULHJQQBEEAOWQX-UHFFFAOYSA-N 0 0 277.227 3.114 50 5 CGBARN O=[N+]([O-])c1ccc(COc2ccccc2-n2ccnc2)cc1 ZINC000072311096 345409440 /nfs/dbraw/zinc/40/94/40/345409440.db2.gz IIYCTMKOJCURTE-UHFFFAOYSA-N 0 0 295.298 3.360 50 5 CGBARN O=C(c1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 ZINC000000245005 368324005 /nfs/dbraw/zinc/32/40/05/368324005.db2.gz WANOJUMUCWLVTE-UHFFFAOYSA-N 0 0 261.664 3.479 50 5 CGBARN O=[N+]([O-])c1ccc(Sc2ccc(F)cc2)c2nonc21 ZINC000000168608 368307637 /nfs/dbraw/zinc/30/76/37/368307637.db2.gz ZJIWLIYXWOPEDX-UHFFFAOYSA-N 0 0 291.263 3.421 50 5 CGBARN Cc1c(C(=O)Nc2ccc(Cl)cn2)cccc1[N+](=O)[O-] ZINC000000170956 368308609 /nfs/dbraw/zinc/30/86/09/368308609.db2.gz ARQRLKZEVQZLFM-UHFFFAOYSA-N 0 0 291.694 3.204 50 5 CGBARN CCc1ccc(NC(=O)c2ccc([N+](=O)[O-])o2)cc1 ZINC000000272228 368329006 /nfs/dbraw/zinc/32/90/06/368329006.db2.gz MBJRKEYAGRQJQH-UHFFFAOYSA-N 0 0 260.249 3.003 50 5 CGBARN Cc1cccc(C)c1OC(=O)c1cccc([N+](=O)[O-])c1 ZINC000000325539 368341442 /nfs/dbraw/zinc/34/14/42/368341442.db2.gz NZBFEYPHGAVWNA-UHFFFAOYSA-N 0 0 271.272 3.431 50 5 CGBARN Cc1cc(C(=O)Nc2ccccc2F)ccc1[N+](=O)[O-] ZINC000000437438 368366258 /nfs/dbraw/zinc/36/62/58/368366258.db2.gz ORXYYCUQNFRDPG-UHFFFAOYSA-N 0 0 274.251 3.295 50 5 CGBARN CCOC(=O)c1c(Cl)nc(Cl)c([N+](=O)[O-])c1Cl ZINC000000970393 368398861 /nfs/dbraw/zinc/39/88/61/368398861.db2.gz UFDWTEQPDNEBFK-UHFFFAOYSA-N 0 0 299.497 3.127 50 5 CGBARN CC(=O)c1cccc(OCc2ccc([N+](=O)[O-])cc2)c1 ZINC000000472281 368374281 /nfs/dbraw/zinc/37/42/81/368374281.db2.gz UANLEEXTAPHAJD-UHFFFAOYSA-N 0 0 271.272 3.376 50 5 CGBARN O=C1O[C@H](Nc2ccc(F)c([N+](=O)[O-])c2)c2ccccc21 ZINC000000553141 368386634 /nfs/dbraw/zinc/38/66/34/368386634.db2.gz ICQCAQCYXUOKNN-ZDUSSCGKSA-N 0 0 288.234 3.015 50 5 CGBARN Cn1c2ccc([N+](=O)[O-])cc2c2cccc([N+](=O)[O-])c21 ZINC000002054121 368445367 /nfs/dbraw/zinc/44/53/67/368445367.db2.gz WDDXDZCWSZSBQG-UHFFFAOYSA-N 0 0 271.232 3.148 50 5 CGBARN Cc1ccc2c(c1)CCCN2C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000002562026 368465133 /nfs/dbraw/zinc/46/51/33/368465133.db2.gz GIOQMXVYAGBYKZ-UHFFFAOYSA-N 0 0 296.326 3.496 50 5 CGBARN Cc1cnc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)s1 ZINC000003155166 368494291 /nfs/dbraw/zinc/49/42/91/368494291.db2.gz MSXYFGLFSPNILM-QPJJXVBHSA-N 0 0 289.316 3.012 50 5 CGBARN O=c1ccc([N+](=O)[O-])cn1Cc1ccc(Cl)cc1Cl ZINC000012791628 368627781 /nfs/dbraw/zinc/62/77/81/368627781.db2.gz FUWCGBGQYHEDHF-UHFFFAOYSA-N 0 0 299.113 3.112 50 5 CGBARN C[C@@H](c1ccc(F)cc1)N(C)c1ccc([N+](=O)[O-])cn1 ZINC000013012935 368640701 /nfs/dbraw/zinc/64/07/01/368640701.db2.gz BCKXHCNBASZJQI-JTQLQIEISA-N 0 0 275.283 3.326 50 5 CGBARN CCc1ccc(NC(=O)[C@@H](C)CC)cc1[N+](=O)[O-] ZINC000027311012 368870549 /nfs/dbraw/zinc/87/05/49/368870549.db2.gz GPINTXPRGDAKQX-VIFPVBQESA-N 0 0 250.298 3.142 50 5 CGBARN COc1ccccc1NC(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000033303345 368961731 /nfs/dbraw/zinc/96/17/31/368961731.db2.gz MKLRJSBUIYHPQS-KTKRTIGZSA-N 0 0 298.298 3.255 50 5 CGBARN Cc1nc(CNCc2ccc(Cl)c([N+](=O)[O-])c2)cs1 ZINC000058139174 369555633 /nfs/dbraw/zinc/55/56/33/369555633.db2.gz QUDPKCFDLIRKPP-UHFFFAOYSA-N 0 0 297.767 3.303 50 5 CGBARN CC(C)(C)OC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000083502195 370006944 /nfs/dbraw/zinc/00/69/44/370006944.db2.gz ZEAGQPDAEUBUAX-UHFFFAOYSA-N 0 0 256.233 3.081 50 5 CGBARN O=C(Nc1cccc2cnccc21)c1ccccc1[N+](=O)[O-] ZINC000096316105 370210478 /nfs/dbraw/zinc/21/04/78/370210478.db2.gz SQEGSXMNRCWOII-UHFFFAOYSA-N 0 0 293.282 3.395 50 5 CGBARN Cc1noc(C=CNc2cccc(C)c2)c1[N+](=O)[O-] ZINC000100151927 370273061 /nfs/dbraw/zinc/27/30/61/370273061.db2.gz ZCDZBHJMKUNNAN-VOTSOKGWSA-N 0 0 259.265 3.282 50 5 CGBARN CC(C)(C)Nc1c2ccccc2sc(=O)c1[N+](=O)[O-] ZINC000100484225 370279992 /nfs/dbraw/zinc/27/99/92/370279992.db2.gz JQPWOBXIQLKLFG-UHFFFAOYSA-N 0 0 278.333 3.380 50 5 CGBARN Cc1cc([N+](=O)[O-])ccc1C(=O)N(CC(F)F)C(C)C ZINC000161909462 372360237 /nfs/dbraw/zinc/36/02/37/372360237.db2.gz BJYJEJLDKUCKOL-UHFFFAOYSA-N 0 0 286.278 3.019 50 5 CGBARN COc1cccc2c1CC[C@H]2Nc1cc(N)ccc1[N+](=O)[O-] ZINC000193476455 375885885 /nfs/dbraw/zinc/88/58/85/375885885.db2.gz GJSDDOUWRNWAFR-CYBMUJFWSA-N 0 0 299.330 3.285 50 5 CGBARN Cc1nc(N)c2c(c3ccccc3oc2=O)c1C(C)C ZINC000226761351 376371716 /nfs/dbraw/zinc/37/17/16/376371716.db2.gz JYKKPWHIDUUHSO-UHFFFAOYSA-N 0 0 268.316 3.355 50 5 CGBARN O=[N+]([O-])c1c(OC(F)F)cccc1OC(F)(F)F ZINC000263623576 190070344 /nfs/dbraw/zinc/07/03/44/190070344.db2.gz IQKCCDOFWXUKQU-UHFFFAOYSA-N 0 0 273.113 3.095 50 5 CGBARN O=[N+]([O-])c1cccc(OC(F)(F)F)c1OC(F)F ZINC000263624859 190070963 /nfs/dbraw/zinc/07/09/63/190070963.db2.gz UTHLMNCGWBICMI-UHFFFAOYSA-N 0 0 273.113 3.095 50 5 CGBARN O=[N+]([O-])c1ccc(OC(F)F)cc1OC(F)(F)F ZINC000263625309 190071033 /nfs/dbraw/zinc/07/10/33/190071033.db2.gz YPPVWMRMEBCIOX-UHFFFAOYSA-N 0 0 273.113 3.095 50 5 CGBARN Cc1c(OC(F)F)c(Br)ccc1[N+](=O)[O-] ZINC000263624823 190071203 /nfs/dbraw/zinc/07/12/03/190071203.db2.gz UNEGLBTZTNGZGT-UHFFFAOYSA-N 0 0 282.040 3.267 50 5 CGBARN CCc1csc([C@H](C)Nc2nccc(C)c2[N+](=O)[O-])n1 ZINC000585092433 378397460 /nfs/dbraw/zinc/39/74/60/378397460.db2.gz WOZRWOICKQAJGF-VIFPVBQESA-N 0 0 292.364 3.490 50 5 CGBARN COc1ccc(-c2nnc(-c3cccc([N+](=O)[O-])c3)o2)cc1 ZINC000000276082 169594966 /nfs/dbraw/zinc/59/49/66/169594966.db2.gz JXWDLEXZMIIVBN-UHFFFAOYSA-N 0 0 297.270 3.320 50 5 CGBARN CCOc1ccc(C(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000000433578 169639401 /nfs/dbraw/zinc/63/94/01/169639401.db2.gz NQOSUNSXUVXEAY-UHFFFAOYSA-N 0 0 271.272 3.225 50 5 CGBARN Cn1ccnc1Sc1ccc([N+](=O)[O-])cc1Cl ZINC000000457054 169645386 /nfs/dbraw/zinc/64/53/86/169645386.db2.gz LPJDVAQMVBVEKB-UHFFFAOYSA-N 0 0 269.713 3.133 50 5 CGBARN Cc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)o1 ZINC000000461729 169647008 /nfs/dbraw/zinc/64/70/08/169647008.db2.gz SGWCWDUGKXERSJ-UHFFFAOYSA-N 0 0 260.249 3.057 50 5 CGBARN O=[N+]([O-])c1cc(N2CCc3ccccc3C2)cs1 ZINC000071289257 285096953 /nfs/dbraw/zinc/09/69/53/285096953.db2.gz FBKHQJIVJVQVAL-UHFFFAOYSA-N 0 0 260.318 3.219 50 5 CGBARN O=[N+]([O-])c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000003860945 285136773 /nfs/dbraw/zinc/13/67/73/285136773.db2.gz RHTVQEPJVKUMPI-UHFFFAOYSA-N 0 0 259.221 3.247 50 5 CGBARN O=c1oc2c3ccccc3oc(=O)c2c2ccccc12 ZINC000000129814 285228491 /nfs/dbraw/zinc/22/84/91/285228491.db2.gz CQOQPUAAVDHXQM-UHFFFAOYSA-N 0 0 264.236 3.053 50 5 CGBARN Cn1cc(-c2csc(-c3cccc([N+](=O)[O-])c3)n2)cn1 ZINC000096421303 392252288 /nfs/dbraw/zinc/25/22/88/392252288.db2.gz NCHRGJKBHJQCOX-UHFFFAOYSA-N 0 0 286.316 3.119 50 5 CGBARN O=[N+]([O-])[C@@H]1CCCCCCCCCC[C@@H]1[N+](=O)[O-] ZINC000045068423 304797177 /nfs/dbraw/zinc/79/71/77/304797177.db2.gz YNIYBFNGJQELGI-TXEJJXNPSA-N 0 0 258.318 3.192 50 5 CGBARN CCCCN(CC)C(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000002729939 169822761 /nfs/dbraw/zinc/82/27/61/169822761.db2.gz PEFABFCZGVGFPS-ZHACJKMWSA-N 0 0 276.336 3.257 50 5 CGBARN CC(=O)Nc1ccc(SC(F)(F)F)cc1[N+](=O)[O-] ZINC000004159838 169939548 /nfs/dbraw/zinc/93/95/48/169939548.db2.gz CSZOIBJTHOOCDK-UHFFFAOYSA-N 0 0 280.227 3.165 50 5 CGBARN Cc1ccc2c(cccc2NC(=O)c2ccc([N+](=O)[O-])o2)n1 ZINC000004841280 170027830 /nfs/dbraw/zinc/02/78/30/170027830.db2.gz XNNIHURHIRDRQZ-UHFFFAOYSA-N 0 0 297.270 3.297 50 5 CGBARN Cc1cc(C)nc(NC(=O)c2cccc([N+](=O)[O-])c2C)c1 ZINC000005394259 170094330 /nfs/dbraw/zinc/09/43/30/170094330.db2.gz VBAXVIWYLQLNJI-UHFFFAOYSA-N 0 0 285.303 3.167 50 5 CGBARN CN(Cc1ccc(F)cc1)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000006429828 170200522 /nfs/dbraw/zinc/20/05/22/170200522.db2.gz RHEHCWPTOBKTGA-UHFFFAOYSA-N 0 0 288.278 3.006 50 5 CGBARN O=[N+]([O-])c1cccc(Oc2ncnc3ccsc32)c1 ZINC000009256880 170369415 /nfs/dbraw/zinc/36/94/15/170369415.db2.gz XRPIUNNBAYWAPO-UHFFFAOYSA-N 0 0 273.273 3.392 50 5 CGBARN O=[N+]([O-])c1cc(NCc2nc3ccccc3o2)ccc1F ZINC000009516424 170380143 /nfs/dbraw/zinc/38/01/43/170380143.db2.gz BJMDESSLDHCNOZ-UHFFFAOYSA-N 0 0 287.250 3.487 50 5 CGBARN CCc1nc(COc2cc([N+](=O)[O-])ccc2OC)cs1 ZINC000031674225 171643249 /nfs/dbraw/zinc/64/32/49/171643249.db2.gz LFJDDZBRHCBBCZ-UHFFFAOYSA-N 0 0 294.332 3.201 50 5 CGBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1c(F)cccc1F ZINC000036774745 172691706 /nfs/dbraw/zinc/69/17/06/172691706.db2.gz BGAHQDBEKLMJRT-UHFFFAOYSA-N 0 0 292.241 3.434 50 5 CGBARN CC(C)(C)OC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000039079965 174163218 /nfs/dbraw/zinc/16/32/18/174163218.db2.gz BRTMDLPSCGNGEC-UHFFFAOYSA-N 0 0 257.673 3.204 50 5 CGBARN CC(=O)c1sc(-c2cccc([N+](=O)[O-])c2)nc1C ZINC000040445663 174265043 /nfs/dbraw/zinc/26/50/43/174265043.db2.gz KFLWWZKPZACANU-UHFFFAOYSA-N 0 0 262.290 3.229 50 5 CGBARN CCOC(=O)c1cc(N[C@H](C)CC)c(F)cc1[N+](=O)[O-] ZINC000725261723 544113922 /nfs/dbraw/zinc/11/39/22/544113922.db2.gz DOKFIEXKOLSNJC-MRVPVSSYSA-N 0 0 284.287 3.121 50 5 CGBARN CCOC(=O)c1cn(CC)c2c3ccccc3ccc2c1=O ZINC000000117258 276300855 /nfs/dbraw/zinc/30/08/55/276300855.db2.gz YYKQUYKSNNBFHJ-UHFFFAOYSA-N 0 0 295.338 3.351 50 5 CGBARN COc1cccc(-c2nc(-c3ccc([N+](=O)[O-])cc3)no2)c1 ZINC000000120865 278005946 /nfs/dbraw/zinc/00/59/46/278005946.db2.gz BQNCXDGJKDXVEX-UHFFFAOYSA-N 0 0 297.270 3.320 50 5 CGBARN C[C@H]1CCCCN1c1cc(Cl)c2nonc2c1[N+](=O)[O-] ZINC000005477557 279653517 /nfs/dbraw/zinc/65/35/17/279653517.db2.gz NUBZXFRDCXTUAK-ZETCQYMHSA-N 0 0 296.714 3.163 50 5 CGBARN O=[N+]([O-])c1ccc2oc(-c3ccc(O)cc3)nc2c1 ZINC000000236895 280371883 /nfs/dbraw/zinc/37/18/83/280371883.db2.gz LWOPYFCTRDOALO-UHFFFAOYSA-N 0 0 256.217 3.109 50 5 CGBARN Cc1ccccc1-n1cc2ccc([N+](=O)[O-])cc2n1 ZINC000000032700 281330112 /nfs/dbraw/zinc/33/01/12/281330112.db2.gz CUCADDIZPAWKQU-UHFFFAOYSA-N 0 0 253.261 3.242 50 5 CGBARN O=Cc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000001081549 326793314 /nfs/dbraw/zinc/79/33/14/326793314.db2.gz QUHBWTNARIJFIJ-UHFFFAOYSA-N 0 0 251.625 3.321 50 5 CGBARN Cc1ccccc1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000004016325 326809191 /nfs/dbraw/zinc/80/91/91/326809191.db2.gz IBTWJUBGHVXYQY-UHFFFAOYSA-N 0 0 256.261 3.156 50 5 CGBARN C[C@H](C(=O)N1CCc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000000471392 230366173 /nfs/dbraw/zinc/36/61/73/230366173.db2.gz TWCXXEZTIUGOES-LBPRGKRZSA-N 0 0 296.326 3.288 50 5 CGBARN Cc1nn(-c2ccc([N+](=O)[O-])cc2)c(N)c1-c1ccccc1 ZINC000001076018 282241749 /nfs/dbraw/zinc/24/17/49/282241749.db2.gz NGFAJVJDKJXIRF-UHFFFAOYSA-N 0 0 294.314 3.338 50 5 CGBARN Cn1nc([N+](=O)[O-])nc1Sc1cccc2ccccc21 ZINC000002833246 344858014 /nfs/dbraw/zinc/85/80/14/344858014.db2.gz GSJBVHKIFCYJNM-UHFFFAOYSA-N 0 0 286.316 3.028 50 5 CGBARN O=[N+]([O-])c1ccc(Cc2nc3cc(F)c(F)cc3[nH]2)cc1 ZINC000075252040 345498477 /nfs/dbraw/zinc/49/84/77/345498477.db2.gz WSDLXKBPDJJBTK-UHFFFAOYSA-N 0 0 289.241 3.340 50 5 CGBARN Nc1c2[nH]c3ccccc3c2nc2ccc([N+](=O)[O-])cc12 ZINC000075286223 345499680 /nfs/dbraw/zinc/49/96/80/345499680.db2.gz NXZRIJLCJODPKI-UHFFFAOYSA-N 0 0 278.271 3.360 50 5 CGBARN O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CCc2ccccc21 ZINC000000184229 368311417 /nfs/dbraw/zinc/31/14/17/368311417.db2.gz UUVMOUIRARVMEX-CMDGGOBGSA-N 0 0 294.310 3.197 50 5 CGBARN CC(=O)c1cc(C)ccc1OC(=O)c1ccccc1[N+](=O)[O-] ZINC000000265332 368328198 /nfs/dbraw/zinc/32/81/98/368328198.db2.gz YEACDJXNMABWJA-UHFFFAOYSA-N 0 0 299.282 3.325 50 5 CGBARN Cc1occc1C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000475610 368375193 /nfs/dbraw/zinc/37/51/93/368375193.db2.gz YMWHXCDPERVZRJ-UHFFFAOYSA-N 0 0 280.667 3.402 50 5 CGBARN Cc1cc(C(=O)Nc2ccccc2)ccc1[N+](=O)[O-] ZINC000002651982 368471613 /nfs/dbraw/zinc/47/16/13/368471613.db2.gz RECVVROWHHYXHX-UHFFFAOYSA-N 0 0 256.261 3.156 50 5 CGBARN Cc1cc(C(=O)OCc2ccc([N+](=O)[O-])cc2)c(C)o1 ZINC000003255681 368499398 /nfs/dbraw/zinc/49/93/98/368499398.db2.gz HNKKAJVTZXLQTH-UHFFFAOYSA-N 0 0 275.260 3.162 50 5 CGBARN O=C1CCC(c2ccccc2)=NN1c1ccc([N+](=O)[O-])cc1 ZINC000004300636 368541764 /nfs/dbraw/zinc/54/17/64/368541764.db2.gz LPAPOIZBOGZANP-UHFFFAOYSA-N 0 0 295.298 3.126 50 5 CGBARN Cc1cccc(CNC(=O)c2cccc([N+](=O)[O-])c2C)c1 ZINC000010447426 368582418 /nfs/dbraw/zinc/58/24/18/368582418.db2.gz CMRBCOJMAWQZGU-UHFFFAOYSA-N 0 0 284.315 3.142 50 5 CGBARN Cc1cc(SCc2ccc([N+](=O)[O-])cc2)nc(C)n1 ZINC000012016899 368602581 /nfs/dbraw/zinc/60/25/81/368602581.db2.gz ZGDWZWZWKMIAHC-UHFFFAOYSA-N 0 0 275.333 3.294 50 5 CGBARN Cc1c(NC(=O)c2cc(F)ccc2F)cccc1[N+](=O)[O-] ZINC000012825537 368629793 /nfs/dbraw/zinc/62/97/93/368629793.db2.gz XTBQZGMUSSQMIG-UHFFFAOYSA-N 0 0 292.241 3.434 50 5 CGBARN O=[N+]([O-])c1cccc(Oc2ccccc2[N+](=O)[O-])c1 ZINC000025921609 368853505 /nfs/dbraw/zinc/85/35/05/368853505.db2.gz AWQDMBLZVJNEHG-UHFFFAOYSA-N 0 0 260.205 3.295 50 5 CGBARN O=[N+]([O-])c1ccccc1Cc1ccccc1[N+](=O)[O-] ZINC000034252726 368972846 /nfs/dbraw/zinc/97/28/46/368972846.db2.gz NABSHCGXYOFMDL-UHFFFAOYSA-N 0 0 258.233 3.094 50 5 CGBARN O=C(c1cccc([N+](=O)[O-])c1)c1cncc2ccccc21 ZINC000045028894 369273597 /nfs/dbraw/zinc/27/35/97/369273597.db2.gz ZSXKLNXWTMEIPP-UHFFFAOYSA-N 0 0 278.267 3.374 50 5 CGBARN CCC(O)(CC)CNc1ccc([N+](=O)[O-])c2cccnc12 ZINC000063992656 369650818 /nfs/dbraw/zinc/65/08/18/369650818.db2.gz UVQWUNVMEHZDOC-UHFFFAOYSA-N 0 0 289.335 3.106 50 5 CGBARN O=[N+]([O-])c1cccc(Cl)c1-n1ccc(C(F)(F)F)n1 ZINC000072334105 369817941 /nfs/dbraw/zinc/81/79/41/369817941.db2.gz UESFCJMQZNIULD-UHFFFAOYSA-N 0 0 291.616 3.453 50 5 CGBARN Cc1cc([N+](=O)[O-])ccc1NC[C@@H]1CCO[C@H](C)C1 ZINC000095458008 370196604 /nfs/dbraw/zinc/19/66/04/370196604.db2.gz VMSRFJAESGQCHN-VXGBXAGGSA-N 0 0 264.325 3.130 50 5 CGBARN O=C(N[C@@H]1CC=CCC1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000172495785 372977965 /nfs/dbraw/zinc/97/79/65/372977965.db2.gz VYHZZAQGVVXMSI-SECBINFHSA-N 0 0 280.711 3.087 50 5 CGBARN CCOC(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000263624572 190071237 /nfs/dbraw/zinc/07/12/37/190071237.db2.gz RRIMSBWZIYFIBA-UHFFFAOYSA-N 0 0 264.064 3.078 50 5 CGBARN C[C@H](CNc1cccc(F)c1[N+](=O)[O-])c1nccs1 ZINC000230606920 376521410 /nfs/dbraw/zinc/52/14/10/376521410.db2.gz DITCUTWDINLPQN-MRVPVSSYSA-N 0 0 281.312 3.406 50 5 CGBARN O=[N+]([O-])c1ncccc1OCc1sccc1Cl ZINC000253417300 377691327 /nfs/dbraw/zinc/69/13/27/377691327.db2.gz YPDLKAIVACMTHS-UHFFFAOYSA-N 0 0 270.697 3.284 50 5 CGBARN O=[N+]([O-])c1ccc(Br)cc1OCC1CC1 ZINC000575442761 377912586 /nfs/dbraw/zinc/91/25/86/377912586.db2.gz XCFJZMQCHFSHGI-UHFFFAOYSA-N 0 0 272.098 3.146 50 5 CGBARN Cc1ccc2c(c1)O[C@@H](c1ccc([N+](=O)[O-])s1)N2 ZINC000000094469 169534335 /nfs/dbraw/zinc/53/43/35/169534335.db2.gz GPZDMWVKPJXJBS-LBPRGKRZSA-N 0 0 262.290 3.468 50 5 CGBARN CCOc1ccc(-c2cn3ccccc3n2)cc1[N+](=O)[O-] ZINC000000122033 169543528 /nfs/dbraw/zinc/54/35/28/169543528.db2.gz BLEYVVGMXJJTRI-UHFFFAOYSA-N 0 0 283.287 3.308 50 5 CGBARN Cc1ccc2nc(-c3ccc([N+](=O)[O-])cc3)oc(=O)c2c1 ZINC000000188935 169568599 /nfs/dbraw/zinc/56/85/99/169568599.db2.gz WTVJDXZDNBVXMJ-UHFFFAOYSA-N 0 0 282.255 3.072 50 5 CGBARN O=[N+]([O-])c1cc([N+](=O)[O-])c(N2CCCC2)c2ccccc21 ZINC000005023847 285097441 /nfs/dbraw/zinc/09/74/41/285097441.db2.gz DUVDWCVYJTUSBX-UHFFFAOYSA-N 0 0 287.275 3.256 50 5 CGBARN O=[N+]([O-])c1ccc(-c2nc(-c3ccc(F)cc3)no2)cc1 ZINC000000364421 285104336 /nfs/dbraw/zinc/10/43/36/285104336.db2.gz WJFBDOXBUHNOLK-UHFFFAOYSA-N 0 0 285.234 3.451 50 5 CGBARN O=c1c2cnc3c(Cl)cccc3c2nc2sccn21 ZINC000000142035 285214502 /nfs/dbraw/zinc/21/45/02/285214502.db2.gz MSRFGYVNJKXUNO-UHFFFAOYSA-N 0 0 287.731 3.111 50 5 CGBARN Cc1nnc(SCc2cccc([N+](=O)[O-])c2)s1 ZINC000000621607 169677106 /nfs/dbraw/zinc/67/71/06/169677106.db2.gz PJGAOXAXGQLIEK-UHFFFAOYSA-N 0 0 267.335 3.047 50 5 CGBARN Cc1nc(-c2cc3cc([N+](=O)[O-])ccc3oc2=O)cs1 ZINC000000174984 391907942 /nfs/dbraw/zinc/90/79/42/391907942.db2.gz GLWXFKNNQNFRQB-UHFFFAOYSA-N 0 0 288.284 3.133 50 5 CGBARN C[C@@H](Cn1cc([N+](=O)[O-])c(C2CC2)n1)c1ccccc1 ZINC000097162035 392260778 /nfs/dbraw/zinc/26/07/78/392260778.db2.gz CZRLSCJLZVHXKK-NSHDSACASA-N 0 0 271.320 3.472 50 5 CGBARN Cc1cc(F)ccc1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000003558998 169897004 /nfs/dbraw/zinc/89/70/04/169897004.db2.gz HXMBSXDUPLGTEU-UHFFFAOYSA-N 0 0 274.251 3.295 50 5 CGBARN Cc1cccc(Nc2ccc3nonc3c2[N+](=O)[O-])c1C ZINC000004116754 169934279 /nfs/dbraw/zinc/93/42/79/169934279.db2.gz YZVLCOPUMSLHAR-UHFFFAOYSA-N 0 0 284.275 3.491 50 5 CGBARN COc1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000006569291 170214293 /nfs/dbraw/zinc/21/42/93/170214293.db2.gz YHSWNVJZAVMCCS-UHFFFAOYSA-N 0 0 258.277 3.216 50 5 CGBARN O=[N+]([O-])c1c(NCc2ccc(F)cc2)nc2sccn21 ZINC000006590198 170217093 /nfs/dbraw/zinc/21/70/93/170217093.db2.gz KNONGEKLIKMAPC-UHFFFAOYSA-N 0 0 292.295 3.055 50 5 CGBARN O=C(c1cccc([N+](=O)[O-])c1)N1CC[C@H]2CCCC[C@@H]2C1 ZINC000008161031 170321915 /nfs/dbraw/zinc/32/19/15/170321915.db2.gz VZIAEXVCIREFOC-TZMCWYRMSA-N 0 0 288.347 3.247 50 5 CGBARN CC(C)n1nnnc1S[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000008882646 170358077 /nfs/dbraw/zinc/35/80/77/170358077.db2.gz FOEYYUPZAVTKHV-SECBINFHSA-N 0 0 293.352 3.016 50 5 CGBARN CCC(C)(C)NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000009218883 170367343 /nfs/dbraw/zinc/36/73/43/170367343.db2.gz DFPXWILSOXCJJN-UHFFFAOYSA-N 0 0 270.716 3.167 50 5 CGBARN COC(=O)c1ccc(-c2ccccc2[N+](=O)[O-])cc1 ZINC000039122759 174163756 /nfs/dbraw/zinc/16/37/56/174163756.db2.gz SQYICIHIPMRTPD-UHFFFAOYSA-N 0 0 257.245 3.048 50 5 CGBARN Cc1ccc(OCc2cccc([N+](=O)[O-])c2C)cn1 ZINC000072073240 176312521 /nfs/dbraw/zinc/31/25/21/176312521.db2.gz CDWLZQHITRZUSN-UHFFFAOYSA-N 0 0 258.277 3.186 50 5 CGBARN C[C@@H](Sc1ncccc1[N+](=O)[O-])c1nc(C2CC2)no1 ZINC000049418433 416471857 /nfs/dbraw/zinc/47/18/57/416471857.db2.gz NQXUXECXASYHHF-SSDOTTSWSA-N 0 0 292.320 3.104 50 5 CGBARN O=[N+]([O-])c1ccc(-c2noc(-c3ccc(F)cc3)n2)cc1 ZINC000000361199 275034636 /nfs/dbraw/zinc/03/46/36/275034636.db2.gz JEYGGQFIDFVSGN-UHFFFAOYSA-N 0 0 285.234 3.451 50 5 CGBARN c1c(-c2ccccc2)[nH]c2nc3nc4ccccc4c-3nn12 ZINC000000037305 275063031 /nfs/dbraw/zinc/06/30/31/275063031.db2.gz IYMCKIOPEBRFAL-UHFFFAOYSA-N 0 0 285.310 3.426 50 5 CGBARN CCOc1c2ccccc2c([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000001869733 276368158 /nfs/dbraw/zinc/36/81/58/276368158.db2.gz QPUOWBJQCAKKAC-UHFFFAOYSA-N 0 0 262.221 3.055 50 5 CGBARN CC(C)N(C(=O)Nc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000004776799 277530385 /nfs/dbraw/zinc/53/03/85/277530385.db2.gz JBVATHWEOOAMFQ-UHFFFAOYSA-N 0 0 265.313 3.246 50 5 CGBARN C[C@H](Oc1cccnc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000009157667 279590020 /nfs/dbraw/zinc/59/00/20/279590020.db2.gz KYTRLLSNJZCFMN-VIFPVBQESA-N 0 0 262.240 3.269 50 5 CGBARN Cc1cc(C(=O)NC2CCCCCC2)ccc1[N+](=O)[O-] ZINC000002744482 280347060 /nfs/dbraw/zinc/34/70/60/280347060.db2.gz HWWJRCFCHYCBBL-UHFFFAOYSA-N 0 0 276.336 3.356 50 5 CGBARN Cc1ccc2c(c1)N(C(=O)c1ccc([N+](=O)[O-])cc1)CCC2 ZINC000000471869 281077014 /nfs/dbraw/zinc/07/70/14/281077014.db2.gz GBSGKIAPFLCQJP-UHFFFAOYSA-N 0 0 296.326 3.496 50 5 CGBARN Cc1nc(N2CCC[C@@H](C(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000178006444 281924461 /nfs/dbraw/zinc/92/44/61/281924461.db2.gz SFTPWQMOZLMXPD-SECBINFHSA-N 0 0 289.257 3.077 50 5 CGBARN Cc1sc2nc3c4ccccc4c(C)nn3c(=O)c2c1C ZINC000002889076 294084396 /nfs/dbraw/zinc/08/43/96/294084396.db2.gz MZPDWRLQUCYIJU-UHFFFAOYSA-N 0 0 295.367 3.383 50 5 CGBARN O=[N+]([O-])c1ccc(Cl)cc1/C=C/c1ccncn1 ZINC000157354074 527355152 /nfs/dbraw/zinc/35/51/52/527355152.db2.gz SLMDGYZBNNPQLO-HNQUOIGGSA-N 0 0 261.668 3.209 50 5 CGBARN COc1ccc(/C=C\C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000006090498 637912932 /nfs/dbraw/zinc/91/29/32/637912932.db2.gz GQOIAGAMZQUXML-YFHOEESVSA-N 0 0 298.298 3.255 50 5 CGBARN O=C(/C=C\c1ccc([N+](=O)[O-])o1)Nc1ccccc1Cl ZINC000096911508 640845339 /nfs/dbraw/zinc/84/53/39/640845339.db2.gz GWJVFAFHYZCXQB-ALCCZGGFSA-N 0 0 292.678 3.493 50 5 CGBARN O=[N+]([O-])c1ccc(CSCCc2ccccn2)cc1 ZINC000013282902 230371142 /nfs/dbraw/zinc/37/11/42/230371142.db2.gz RFSFXFKZKDGYGK-UHFFFAOYSA-N 0 0 274.345 3.466 50 5 CGBARN COc1ccc(NC(=O)N2CCCCCC2)cc1[N+](=O)[O-] ZINC000096008050 185064151 /nfs/dbraw/zinc/06/41/51/185064151.db2.gz RNVSLOADPIWGHN-UHFFFAOYSA-N 0 0 293.323 3.011 50 5 CGBARN O=c1c([N+](=O)[O-])cccn1Cc1c(Cl)cccc1Cl ZINC000072280391 345408080 /nfs/dbraw/zinc/40/80/80/345408080.db2.gz NORXTRUPICWXGU-UHFFFAOYSA-N 0 0 299.113 3.112 50 5 CGBARN C[C@H](Nc1ccc2oc(=O)[nH]c2c1)c1ccc([N+](=O)[O-])cc1 ZINC000078998242 345627031 /nfs/dbraw/zinc/62/70/31/345627031.db2.gz PKEUUZGGOFCNDL-VIFPVBQESA-N 0 0 299.286 3.202 50 5 CGBARN O=c1cc(C=Cc2ccc([N+](=O)[O-])cc2)nc(C2CC2)[nH]1 ZINC000352008385 219287136 /nfs/dbraw/zinc/28/71/36/219287136.db2.gz PFYBYCXCNZHDDT-BHQIHCQQSA-N 0 0 283.287 3.138 50 5 CGBARN CN1c2ccccc2N(C)C1c1cccc([N+](=O)[O-])c1 ZINC000000289258 283265677 /nfs/dbraw/zinc/26/56/77/283265677.db2.gz QFTWOTXRAWHQAZ-UHFFFAOYSA-N 0 0 269.304 3.180 50 5 CGBARN O=Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000000035745 368274811 /nfs/dbraw/zinc/27/48/11/368274811.db2.gz YLWXKADRQFEWGM-UHFFFAOYSA-N 0 0 251.625 3.321 50 5 CGBARN Cc1cc(C)c2nc(-c3cccc([N+](=O)[O-])c3)oc(=O)c2c1 ZINC000000042220 368276339 /nfs/dbraw/zinc/27/63/39/368276339.db2.gz OENYNSFDFMJSRS-UHFFFAOYSA-N 0 0 296.282 3.380 50 5 CGBARN O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1c(F)cccc1F ZINC000000075317 368282850 /nfs/dbraw/zinc/28/28/50/368282850.db2.gz RYPANJAKUDUTDI-UHFFFAOYSA-N 0 0 292.241 3.054 50 5 CGBARN COC(=O)c1sccc1Oc1ccc([N+](=O)[O-])cc1 ZINC000000082547 368284360 /nfs/dbraw/zinc/28/43/60/368284360.db2.gz RFBDROODMZKCQG-UHFFFAOYSA-N 0 0 279.273 3.235 50 5 CGBARN Cc1cccc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000000102956 368290990 /nfs/dbraw/zinc/29/09/90/368290990.db2.gz ZYYDEPSQJVRZDR-UHFFFAOYSA-N 0 0 270.288 3.464 50 5 CGBARN Cc1cccc(NC(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000000103278 368291062 /nfs/dbraw/zinc/29/10/62/368291062.db2.gz PZZACBBPLIOFMI-UHFFFAOYSA-N 0 0 256.261 3.156 50 5 CGBARN CC(=O)n1c2ccccc2c2nc3ccccc3nc21 ZINC000000132859 368298882 /nfs/dbraw/zinc/29/88/82/368298882.db2.gz VOKVXGKRVFYGLA-UHFFFAOYSA-N 0 0 261.284 3.398 50 5 CGBARN O=C(NC1CCCCC1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000000441668 368366652 /nfs/dbraw/zinc/36/66/52/368366652.db2.gz SVTSQRJYENHOFT-UHFFFAOYSA-N 0 0 282.727 3.311 50 5 CGBARN CCOc1ccc(Oc2cc(N)cc([N+](=O)[O-])c2)cc1 ZINC000000265791 368328319 /nfs/dbraw/zinc/32/83/19/368328319.db2.gz RZFOGVXJSLVPBC-UHFFFAOYSA-N 0 0 274.276 3.368 50 5 CGBARN COc1ccc([C@H]2CC(c3ccc([N+](=O)[O-])cc3)=NN2)cc1 ZINC000000286131 368332983 /nfs/dbraw/zinc/33/29/83/368332983.db2.gz RBEXSHMZPHLMFD-MRXNPFEDSA-N 0 0 297.314 3.042 50 5 CGBARN C[C@@H](O)c1nc2cc([N+](=O)[O-])ccc2n1Cc1ccccc1 ZINC000000292945 368334457 /nfs/dbraw/zinc/33/44/57/368334457.db2.gz YWGFIZCUHQCIRP-LLVKDONJSA-N 0 0 297.314 3.046 50 5 CGBARN C[C@H](O)c1nc2cc([N+](=O)[O-])ccc2n1Cc1ccccc1 ZINC000000292941 368334839 /nfs/dbraw/zinc/33/48/39/368334839.db2.gz YWGFIZCUHQCIRP-NSHDSACASA-N 0 0 297.314 3.046 50 5 CGBARN COc1cccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)c1 ZINC000000311500 368338445 /nfs/dbraw/zinc/33/84/45/368338445.db2.gz BCMXRJDTYFKZMG-UHFFFAOYSA-N 0 0 286.287 3.164 50 5 CGBARN CC(=O)[C@H](C)Oc1ccc2c(c1)oc(=O)c1ccccc21 ZINC000000500418 368380393 /nfs/dbraw/zinc/38/03/93/368380393.db2.gz NTCZZFLTUKWCHE-NSHDSACASA-N 0 0 282.295 3.303 50 5 CGBARN COc1ccc(-c2cnc3ccccc3n2)cc1[N+](=O)[O-] ZINC000000555917 368386674 /nfs/dbraw/zinc/38/66/74/368386674.db2.gz AXLDXKIQKVUCPE-UHFFFAOYSA-N 0 0 281.271 3.214 50 5 CGBARN O=[N+]([O-])c1cc2[nH]c(-c3ccccc3)cc2c(O)c1 ZINC000000615372 368392793 /nfs/dbraw/zinc/39/27/93/368392793.db2.gz IBDKPRFWZCJNMI-UHFFFAOYSA-N 0 0 254.245 3.449 50 5 CGBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)Cc1ccccc1 ZINC000001739155 368436720 /nfs/dbraw/zinc/43/67/20/368436720.db2.gz DUEDTDIABNGYQP-UHFFFAOYSA-N 0 0 270.288 3.084 50 5 CGBARN O=[N+]([O-])c1cccc(COc2cc(F)ccc2[N+](=O)[O-])c1 ZINC000003251399 368499379 /nfs/dbraw/zinc/49/93/79/368499379.db2.gz MIFLRNVWNRYFFE-UHFFFAOYSA-N 0 0 292.222 3.221 50 5 CGBARN COC(=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 ZINC000002895945 368483980 /nfs/dbraw/zinc/48/39/80/368483980.db2.gz PPRYORMDEJTYDQ-UHFFFAOYSA-N 0 0 273.244 3.174 50 5 CGBARN Cc1cccc(Nc2c3nonc3ccc2[N+](=O)[O-])c1C ZINC000004116756 368532726 /nfs/dbraw/zinc/53/27/26/368532726.db2.gz WIKRVMIJLNCLOI-UHFFFAOYSA-N 0 0 284.275 3.491 50 5 CGBARN CCC[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000004599564 368553545 /nfs/dbraw/zinc/55/35/45/368553545.db2.gz QIXBISKXRSQSFL-VIFPVBQESA-N 0 0 250.298 3.278 50 5 CGBARN CC(=O)c1cc(N2CCC(C)CC2)ccc1[N+](=O)[O-] ZINC000008762670 368575461 /nfs/dbraw/zinc/57/54/61/368575461.db2.gz MPPNLICUEALUGN-UHFFFAOYSA-N 0 0 262.309 3.034 50 5 CGBARN O=[N+]([O-])c1ccc(OCc2ccccn2)c(Cl)c1 ZINC000012549469 368620303 /nfs/dbraw/zinc/62/03/03/368620303.db2.gz GWYKHOLLVPAQFF-UHFFFAOYSA-N 0 0 264.668 3.222 50 5 CGBARN COc1cc([N+](=O)[O-])ccc1NC(=O)Nc1ccccc1 ZINC000017009747 368726101 /nfs/dbraw/zinc/72/61/01/368726101.db2.gz VPQBOYWWDYPZQM-UHFFFAOYSA-N 0 0 287.275 3.247 50 5 CGBARN O=[N+]([O-])c1ccc([C@@H]2CN=C(Nc3ccccc3)O2)cc1 ZINC000017186121 368729986 /nfs/dbraw/zinc/72/99/86/368729986.db2.gz UKMYPFQCZXXZMJ-AWEZNQCLSA-N 0 0 283.287 3.134 50 5 CGBARN Cc1cccc(C(=O)NC[C@@H](C)c2ccccc2)c1[N+](=O)[O-] ZINC000026755578 368863392 /nfs/dbraw/zinc/86/33/92/368863392.db2.gz DHKIWJGUYSVQLM-CYBMUJFWSA-N 0 0 298.342 3.437 50 5 CGBARN O=[N+]([O-])c1ccc(NCC2(c3ccccc3)CC2)nc1 ZINC000032871924 368948854 /nfs/dbraw/zinc/94/88/54/368948854.db2.gz IVFQJPLXKJVMKK-UHFFFAOYSA-N 0 0 269.304 3.134 50 5 CGBARN CC(C)(C)c1nnc(Sc2ccccc2[N+](=O)[O-])o1 ZINC000069630269 369766809 /nfs/dbraw/zinc/76/68/09/369766809.db2.gz UYAUCOBZKQJERB-UHFFFAOYSA-N 0 0 279.321 3.427 50 5 CGBARN C[C@]1(CO)CCC[C@@H]1Nc1ccc([N+](=O)[O-])cc1Cl ZINC000076061012 369927479 /nfs/dbraw/zinc/92/74/79/369927479.db2.gz QLEPDXUDPMKCLX-QWHCGFSZSA-N 0 0 284.743 3.211 50 5 CGBARN Cc1cnc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])s1 ZINC000010622788 541851551 /nfs/dbraw/zinc/85/15/51/541851551.db2.gz JVPSMONDPHHFDM-UHFFFAOYSA-N 0 0 297.723 3.265 50 5 CGBARN COc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(C)c1 ZINC000000038695 169513441 /nfs/dbraw/zinc/51/34/41/169513441.db2.gz IKOFBRRYLUAAGK-UHFFFAOYSA-N 0 0 286.287 3.164 50 5 CGBARN COc1ccc(C(=O)Nc2ccccc2C)cc1[N+](=O)[O-] ZINC000000103382 169537208 /nfs/dbraw/zinc/53/72/08/169537208.db2.gz XKNDERYBWJOZJV-UHFFFAOYSA-N 0 0 286.287 3.164 50 5 CGBARN O=[N+]([O-])c1ccc(-n2cnc(Cl)c2Cl)cc1 ZINC000000160952 285108506 /nfs/dbraw/zinc/10/85/06/285108506.db2.gz SDXUKUVBETUBCS-UHFFFAOYSA-N 0 0 258.064 3.087 50 5 CGBARN COC[C@@H](Nc1ccc([N+](=O)[O-])cc1)c1ccc(C)o1 ZINC000081010036 177754762 /nfs/dbraw/zinc/75/47/62/177754762.db2.gz UGZHIUOMMMJESS-CYBMUJFWSA-N 0 0 276.292 3.296 50 5 CGBARN O=C(/C=C/c1ccccc1)OCc1cccc([N+](=O)[O-])c1 ZINC000003390828 391916641 /nfs/dbraw/zinc/91/66/41/391916641.db2.gz VWJCIVSMCPJSTM-MDZDMXLPSA-N 0 0 283.283 3.351 50 5 CGBARN O=[N+]([O-])c1scc(Br)c1Br ZINC000000967494 296522277 /nfs/dbraw/zinc/52/22/77/296522277.db2.gz SFQCSMOCYWODDI-UHFFFAOYSA-N 0 0 286.932 3.181 50 5 CGBARN Cc1ccc(C)c(C(=O)COc2ccccc2[N+](=O)[O-])c1 ZINC000003438426 169887861 /nfs/dbraw/zinc/88/78/61/169887861.db2.gz HCUCHSNADJUAJW-UHFFFAOYSA-N 0 0 285.299 3.473 50 5 CGBARN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000003446930 169888897 /nfs/dbraw/zinc/88/88/97/169888897.db2.gz OPAHIRHAOFZMOT-SNVBAGLBSA-N 0 0 288.278 3.225 50 5 CGBARN Cc1cc([N+](=O)[O-])ccc1NC(=O)CC(C)(C)C ZINC000004313667 169956684 /nfs/dbraw/zinc/95/66/84/169956684.db2.gz NIMYJJLXJWPXHX-UHFFFAOYSA-N 0 0 250.298 3.278 50 5 CGBARN Cc1cc([N+](=O)[O-])ccc1NC=C1C(=O)Nc2ccccc21 ZINC000004801177 170018967 /nfs/dbraw/zinc/01/89/67/170018967.db2.gz WIONYJFKGKJKRP-LCYFTJDESA-N 0 0 295.298 3.308 50 5 CGBARN CC[C@H](Cc1ccccc1)NC(=O)c1ccccc1[N+](=O)[O-] ZINC000004808445 170020437 /nfs/dbraw/zinc/02/04/37/170020437.db2.gz SMPVUZALGRIQMU-CQSZACIVSA-N 0 0 298.342 3.346 50 5 CGBARN C[C@H]1CCCN(Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000004988596 170049274 /nfs/dbraw/zinc/04/92/74/170049274.db2.gz XRSWHNYXGSHRDF-JTQLQIEISA-N 0 0 268.744 3.480 50 5 CGBARN CCCCCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000005297436 170084088 /nfs/dbraw/zinc/08/40/88/170084088.db2.gz OQOCFHNVANPOJF-UHFFFAOYSA-N 0 0 250.298 3.422 50 5 CGBARN CC(C)C(=O)Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000005384004 170093057 /nfs/dbraw/zinc/09/30/57/170093057.db2.gz OSDLPCGDCSLHNU-UHFFFAOYSA-N 0 0 291.332 3.313 50 5 CGBARN CCCCCCNC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000005418048 170096907 /nfs/dbraw/zinc/09/69/07/170096907.db2.gz JGSSDAWWDOMHMY-UHFFFAOYSA-N 0 0 264.325 3.213 50 5 CGBARN C[C@H](Oc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000005527795 170108850 /nfs/dbraw/zinc/10/88/50/170108850.db2.gz UZSLZEQAGCDBPI-NSHDSACASA-N 0 0 286.287 3.001 50 5 CGBARN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1cccs1 ZINC000006220418 170183444 /nfs/dbraw/zinc/18/34/44/170183444.db2.gz CGKKEZCIVIQVEF-SECBINFHSA-N 0 0 276.317 3.147 50 5 CGBARN O=C(Nc1cccc2cnccc21)c1cccc([N+](=O)[O-])c1 ZINC000007655217 170296084 /nfs/dbraw/zinc/29/60/84/170296084.db2.gz WURXLEXOIKXPNQ-UHFFFAOYSA-N 0 0 293.282 3.395 50 5 CGBARN O=C(c1cccc([N+](=O)[O-])c1)N1CC[C@@H]2CCCC[C@H]2C1 ZINC000008161037 170321884 /nfs/dbraw/zinc/32/18/84/170321884.db2.gz VZIAEXVCIREFOC-JSGCOSHPSA-N 0 0 288.347 3.247 50 5 CGBARN Cc1nc2cc(NC(=O)c3ccccc3[N+](=O)[O-])ccc2o1 ZINC000008369284 170333458 /nfs/dbraw/zinc/33/34/58/170333458.db2.gz GTABLAMKBIFOLL-UHFFFAOYSA-N 0 0 297.270 3.297 50 5 CGBARN CSc1ccc(C(=O)N2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000010109358 170397197 /nfs/dbraw/zinc/39/71/97/170397197.db2.gz GLLHZGKFCNVLTL-UHFFFAOYSA-N 0 0 294.376 3.189 50 5 CGBARN Cc1ccoc1C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000025318831 171454056 /nfs/dbraw/zinc/45/40/56/171454056.db2.gz WKPGGMZZBJVHGV-UHFFFAOYSA-N 0 0 260.249 3.057 50 5 CGBARN Cc1ccc([C@@H](C)Nc2ccc([N+](=O)[O-])cn2)cc1 ZINC000039931870 174175998 /nfs/dbraw/zinc/17/59/98/174175998.db2.gz JYNXNFGIONBZQH-LLVKDONJSA-N 0 0 257.293 3.471 50 5 CGBARN O=[N+]([O-])c1ccccc1CNc1nccc(C(F)(F)F)n1 ZINC000052385419 175535222 /nfs/dbraw/zinc/53/52/22/175535222.db2.gz HETTVFCVTHQILG-UHFFFAOYSA-N 0 0 298.224 3.016 50 5 CGBARN Cc1ccc(C(C)C)c(Oc2ncc([N+](=O)[O-])c(N)n2)c1 ZINC000071284412 176109423 /nfs/dbraw/zinc/10/94/23/176109423.db2.gz DVZWSPSSMGXLNJ-UHFFFAOYSA-N 0 0 288.307 3.191 50 5 CGBARN O=[N+]([O-])c1c(F)cccc1N[C@@H](CCO)c1cccs1 ZINC000075145296 176666173 /nfs/dbraw/zinc/66/61/73/176666173.db2.gz CHGZOAVUKRAEON-JTQLQIEISA-N 0 0 296.323 3.331 50 5 CGBARN Cc1nn([C@@H](C)C(=O)c2ccc(C)cc2)c(C)c1[N+](=O)[O-] ZINC000002622581 261287769 /nfs/dbraw/zinc/28/77/69/261287769.db2.gz XZJMMDJQAXRVOE-LBPRGKRZSA-N 0 0 287.319 3.160 50 5 CGBARN COc1ccc(-c2noc(-c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000000455450 274104651 /nfs/dbraw/zinc/10/46/51/274104651.db2.gz YAYDLPJDWKODDL-UHFFFAOYSA-N 0 0 297.270 3.320 50 5 CGBARN Cc1cc(-c2nc(-c3cccnc3)no2)ccc1[N+](=O)[O-] ZINC000000546582 280286963 /nfs/dbraw/zinc/28/69/63/280286963.db2.gz XLOQUHCWZZUMRV-UHFFFAOYSA-N 0 0 282.259 3.015 50 5 CGBARN O=[N+]([O-])c1cc(C(F)(F)F)ccc1-n1cccc1 ZINC000000159266 280356664 /nfs/dbraw/zinc/35/66/64/280356664.db2.gz FBMZMYJNCROIQS-UHFFFAOYSA-N 0 0 256.183 3.404 50 5 CGBARN Cc1csc(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])n1 ZINC000006319376 293048055 /nfs/dbraw/zinc/04/80/55/293048055.db2.gz DDWYAWMKMLBOTN-UHFFFAOYSA-N 0 0 297.723 3.265 50 5 CGBARN Cc1ccc(Nc2ccc([N+](=O)[O-])c3nonc32)cc1C ZINC000003879023 618912644 /nfs/dbraw/zinc/91/26/44/618912644.db2.gz KXTITKVWDRENOT-UHFFFAOYSA-N 0 0 284.275 3.491 50 5 CGBARN O=c1ccn(Cc2cc(Cl)ccc2Cl)cc1[N+](=O)[O-] ZINC000084343616 345732858 /nfs/dbraw/zinc/73/28/58/345732858.db2.gz VZTFOHSBVMYBPT-UHFFFAOYSA-N 0 0 299.113 3.112 50 5 CGBARN Cc1noc(C=CNc2ccc(C)cc2)c1[N+](=O)[O-] ZINC000100151936 185706908 /nfs/dbraw/zinc/70/69/08/185706908.db2.gz PDFGJCKSHYIQQA-BQYQJAHWSA-N 0 0 259.265 3.282 50 5 CGBARN Cc1cccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)c1 ZINC000000038667 368274644 /nfs/dbraw/zinc/27/46/44/368274644.db2.gz CONPUCRRJGRADY-UHFFFAOYSA-N 0 0 270.288 3.464 50 5 CGBARN Cc1cc(C)n([C@@H](C[N+](=O)[O-])c2ccccc2Cl)n1 ZINC000000075177 368282714 /nfs/dbraw/zinc/28/27/14/368282714.db2.gz VJLQBAFJRXLPBF-ZDUSSCGKSA-N 0 0 279.727 3.019 50 5 CGBARN O=C(CSc1ccccc1[N+](=O)[O-])Oc1ccccc1 ZINC000000072193 368282999 /nfs/dbraw/zinc/28/29/99/368282999.db2.gz CGEJTJIEALLPHS-UHFFFAOYSA-N 0 0 289.312 3.293 50 5 CGBARN O=[N+]([O-])c1ccc([C@H]2Nc3ccc(F)cc3N2)s1 ZINC000000094489 368288350 /nfs/dbraw/zinc/28/83/50/368288350.db2.gz OGIOMNBTFYEIKM-NSHDSACASA-N 0 0 265.269 3.332 50 5 CGBARN O=[N+]([O-])C1=Cc2ccccc2O[C@H]1c1cccs1 ZINC000000100132 368289210 /nfs/dbraw/zinc/28/92/10/368289210.db2.gz XLVNDDXFQRTQKA-CYBMUJFWSA-N 0 0 259.286 3.499 50 5 CGBARN O=C(c1coc2ccc(O)cc12)c1ccc([N+](=O)[O-])cc1 ZINC000000446124 368369287 /nfs/dbraw/zinc/36/92/87/368369287.db2.gz JXMCPJYYTJFLRH-UHFFFAOYSA-N 0 0 283.239 3.278 50 5 CGBARN COc1ccc(/C=C/C(=O)Oc2ccccc2[N+](=O)[O-])cc1 ZINC000000458758 368371017 /nfs/dbraw/zinc/37/10/17/368371017.db2.gz CYWDTLJDDFMIII-DHZHZOJOSA-N 0 0 299.282 3.222 50 5 CGBARN C[C@H]1C[C@H](C)CN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000000288710 368333499 /nfs/dbraw/zinc/33/34/99/368333499.db2.gz SDCFKPZPGFJOSW-UWVGGRQHSA-N 0 0 296.754 3.366 50 5 CGBARN O=C(/C=C/c1ccccc1)Oc1cccc([N+](=O)[O-])c1 ZINC000000588467 368390936 /nfs/dbraw/zinc/39/09/36/368390936.db2.gz ZFKPYJMKBKCQED-MDZDMXLPSA-N 0 0 269.256 3.214 50 5 CGBARN CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000000614238 368392627 /nfs/dbraw/zinc/39/26/27/368392627.db2.gz GOQKVYMPNNCTCH-OAHLLOKOSA-N 0 0 284.315 3.476 50 5 CGBARN CCC(C)(C)NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000000620040 368393431 /nfs/dbraw/zinc/39/34/31/368393431.db2.gz RBBSHBQEVXJFID-UHFFFAOYSA-N 0 0 270.716 3.167 50 5 CGBARN Cc1nn(COc2ccc(Cl)cc2)c(C)c1[N+](=O)[O-] ZINC000002552508 368463137 /nfs/dbraw/zinc/46/31/37/368463137.db2.gz NCOMEIDQUQYWBQ-UHFFFAOYSA-N 0 0 281.699 3.098 50 5 CGBARN C[C@H](Cc1cccs1)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000003211592 368496452 /nfs/dbraw/zinc/49/64/52/368496452.db2.gz DOZOLDXFHVPQEM-SNVBAGLBSA-N 0 0 290.344 3.017 50 5 CGBARN COc1ccc(NC(=O)c2ccc(C)cc2)c([N+](=O)[O-])c1 ZINC000004610872 368552666 /nfs/dbraw/zinc/55/26/66/368552666.db2.gz OMNIZXQHJDOBQQ-UHFFFAOYSA-N 0 0 286.287 3.164 50 5 CGBARN O=[N+]([O-])c1ccc([C@H]2Nc3ccc([N+](=O)[O-])cc3N2)s1 ZINC000004299809 368541886 /nfs/dbraw/zinc/54/18/86/368541886.db2.gz IBYMEFQBLQFXCM-NSHDSACASA-N 0 0 292.276 3.101 50 5 CGBARN Cc1cc(Oc2ccc(Cl)cc2[N+](=O)[O-])nc(C)n1 ZINC000013018072 368640678 /nfs/dbraw/zinc/64/06/78/368640678.db2.gz ANYKOABDRULQRM-UHFFFAOYSA-N 0 0 279.683 3.447 50 5 CGBARN C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)c1ccoc1 ZINC000016236495 368710279 /nfs/dbraw/zinc/71/02/79/368710279.db2.gz WHYLSJHDKXUXQA-JTQLQIEISA-N 0 0 274.276 3.021 50 5 CGBARN O=[N+]([O-])c1cccnc1NCCc1cccc2cccnc21 ZINC000014813640 368685737 /nfs/dbraw/zinc/68/57/37/368685737.db2.gz CTQODMSUZBEGNM-UHFFFAOYSA-N 0 0 294.314 3.193 50 5 CGBARN CCCc1ccccc1NC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000024501156 368832177 /nfs/dbraw/zinc/83/21/77/368832177.db2.gz UCAXWYGMUAWYNQ-UHFFFAOYSA-N 0 0 299.330 3.382 50 5 CGBARN CCc1ccc(NC(=O)C(C)(C)C)cc1[N+](=O)[O-] ZINC000030396680 368902312 /nfs/dbraw/zinc/90/23/12/368902312.db2.gz YVNSHXFZGRGGEC-UHFFFAOYSA-N 0 0 250.298 3.142 50 5 CGBARN O=C(c1ccc([N+](=O)[O-])cc1)c1cncc2ccccc21 ZINC000045028895 369273293 /nfs/dbraw/zinc/27/32/93/369273293.db2.gz FSXLAFAJNPKRIU-UHFFFAOYSA-N 0 0 278.267 3.374 50 5 CGBARN Cc1nn(C)c(N[C@@H](C)c2ccc(F)c(F)c2)c1[N+](=O)[O-] ZINC000047331082 369312900 /nfs/dbraw/zinc/31/29/00/369312900.db2.gz KWWAQGFDXNUADZ-ZETCQYMHSA-N 0 0 296.277 3.088 50 5 CGBARN Cc1ccn2cc(CNc3ccccc3[N+](=O)[O-])nc2c1 ZINC000058154712 369555775 /nfs/dbraw/zinc/55/57/75/369555775.db2.gz UAGPXUGDZDTBIP-UHFFFAOYSA-N 0 0 282.303 3.163 50 5 CGBARN Cc1nn(-c2ccccc2[N+](=O)[O-])c(C)c1Cl ZINC000072334149 369816725 /nfs/dbraw/zinc/81/67/25/369816725.db2.gz DWMBAWUDCUTPIE-UHFFFAOYSA-N 0 0 251.673 3.051 50 5 CGBARN Cc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(O)cc1F ZINC000070333128 369796055 /nfs/dbraw/zinc/79/60/55/369796055.db2.gz AQXLWVHSOKHZNQ-UHFFFAOYSA-N 0 0 290.250 3.000 50 5 CGBARN COC(=O)c1cc(F)cc(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000074937834 369891836 /nfs/dbraw/zinc/89/18/36/369891836.db2.gz ISEQOKFPRSUJQL-UHFFFAOYSA-N 0 0 275.235 3.188 50 5 CGBARN Cc1cc([N+](=O)[O-])ccc1NC[C@H]1CCO[C@@H](C)C1 ZINC000095458011 370196867 /nfs/dbraw/zinc/19/68/67/370196867.db2.gz VMSRFJAESGQCHN-RYUDHWBXSA-N 0 0 264.325 3.130 50 5 CGBARN Cc1c(C(=O)N2C[C@H](C)C[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000000209591 291516786 /nfs/dbraw/zinc/51/67/86/291516786.db2.gz MSMZPBGANVGFBL-GHMZBOCLSA-N 0 0 276.336 3.021 50 5 CGBARN Cc1cc([N+](=O)[O-])ccc1NC(=O)N1C[C@@H]2CCC[C@H]2C1 ZINC000162927661 372434514 /nfs/dbraw/zinc/43/45/14/372434514.db2.gz KMCIVXQBDDXXQD-RYUDHWBXSA-N 0 0 289.335 3.167 50 5 CGBARN Cc1cc([N+](=O)[O-])ccc1NC(=O)N1C[C@H]2CCC[C@@H]2C1 ZINC000162927530 372435183 /nfs/dbraw/zinc/43/51/83/372435183.db2.gz KMCIVXQBDDXXQD-VXGBXAGGSA-N 0 0 289.335 3.167 50 5 CGBARN O=[N+]([O-])c1cccc(CNc2ncnc3ccc(F)cc32)c1 ZINC000170596182 372640275 /nfs/dbraw/zinc/64/02/75/372640275.db2.gz FMFGVJUHYPJENR-UHFFFAOYSA-N 0 0 298.277 3.289 50 5 CGBARN Cc1ccc([C@H](C)OC(=O)c2cscn2)cc1[N+](=O)[O-] ZINC000084190201 541932632 /nfs/dbraw/zinc/93/26/32/541932632.db2.gz UPOBNLQTLJXAAP-VIFPVBQESA-N 0 0 292.316 3.278 50 5 CGBARN C[C@@H](Nc1cc(N)ccc1[N+](=O)[O-])[C@H]1COc2ccccc21 ZINC000193487878 375887800 /nfs/dbraw/zinc/88/78/00/375887800.db2.gz IVRQMSJLISFNCG-ZWNOBZJWSA-N 0 0 299.330 3.154 50 5 CGBARN O=c1cc(C=Cc2ccc([N+](=O)[O-])cc2)nc(C2CC2)[nH]1 ZINC000253426131 377693496 /nfs/dbraw/zinc/69/34/96/377693496.db2.gz PFYBYCXCNZHDDT-LZCJLJQNSA-N 0 0 283.287 3.138 50 5 CGBARN CCc1nc([C@H](C)Nc2ncc(C)cc2[N+](=O)[O-])cs1 ZINC000253428132 377693585 /nfs/dbraw/zinc/69/35/85/377693585.db2.gz HYFAIKDOVDXIQA-VIFPVBQESA-N 0 0 292.364 3.490 50 5 CGBARN C[C@H](NC(=O)Cc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000000264260 169591271 /nfs/dbraw/zinc/59/12/71/169591271.db2.gz QLGKQCQBGWYTSN-LBPRGKRZSA-N 0 0 284.315 3.015 50 5 CGBARN O=[N+]([O-])c1ccc(NC2CCCCC2)c([N+](=O)[O-])c1 ZINC000004347691 184531809 /nfs/dbraw/zinc/53/18/09/184531809.db2.gz CGNCMUWOBHOSEQ-UHFFFAOYSA-N 0 0 265.269 3.248 50 5 CGBARN O=[N+]([O-])c1cc(F)c(N2CCCC2)cc1Br ZINC000003894061 285093840 /nfs/dbraw/zinc/09/38/40/285093840.db2.gz IXRFXROGXPJAGZ-UHFFFAOYSA-N 0 0 289.104 3.097 50 5 CGBARN O=[N+]([O-])c1ccc(Oc2ccccc2[N+](=O)[O-])cc1 ZINC000001677206 285138189 /nfs/dbraw/zinc/13/81/89/285138189.db2.gz KDIBCWWBNMTRPK-UHFFFAOYSA-N 0 0 260.205 3.295 50 5 CGBARN O=c1c2ccc(Cl)cc2oc2cc(O)cc(O)c12 ZINC000026476485 285210115 /nfs/dbraw/zinc/21/01/15/285210115.db2.gz HDBLWAZZCGXSBL-UHFFFAOYSA-N 0 0 262.648 3.011 50 5 biogenic CGBARN O=c1c2ccccc2sc2ccc([N+](=O)[O-])cc21 ZINC000019626843 285213549 /nfs/dbraw/zinc/21/35/49/285213549.db2.gz DYRJLHNVMSBZLR-UHFFFAOYSA-N 0 0 257.270 3.323 50 5 CGBARN O=C(N[C@H]1CC=CCC1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000172495781 256858259 /nfs/dbraw/zinc/85/82/59/256858259.db2.gz VYHZZAQGVVXMSI-VIFPVBQESA-N 0 0 280.711 3.087 50 5 CGBARN CC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000000614237 169674972 /nfs/dbraw/zinc/67/49/72/169674972.db2.gz GOQKVYMPNNCTCH-HNNXBMFYSA-N 0 0 284.315 3.476 50 5 CGBARN C[C@@H]1CCC[C@@H](OC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000001511534 169710759 /nfs/dbraw/zinc/71/07/59/169710759.db2.gz KBZMEHXPBKOFCY-ZWNOBZJWSA-N 0 0 263.293 3.330 50 5 CGBARN C[C@@H]1CN(C)[C@@H](C)c2c3cccc([N+](=O)[O-])c3oc21 ZINC000023115254 391945579 /nfs/dbraw/zinc/94/55/79/391945579.db2.gz YEDYHJFVBBFGPZ-BDAKNGLRSA-N 0 0 260.293 3.451 50 5 CGBARN CCCN(Cc1ccccn1)c1cccc([N+](=O)[O-])c1 ZINC000193559760 392880929 /nfs/dbraw/zinc/88/09/29/392880929.db2.gz SEOADRABVJYRHV-UHFFFAOYSA-N 0 0 271.320 3.406 50 5 CGBARN O=[N+]([O-])c1cc(Br)cc(C(F)(F)F)c1 ZINC000002510823 296497334 /nfs/dbraw/zinc/49/73/34/296497334.db2.gz YHTVYRKVFAFVLP-UHFFFAOYSA-N 0 0 270.004 3.376 50 5 CGBARN CO[C@@H](C)c1sc([N+](=O)[O-])cc1Br ZINC000000336306 285578933 /nfs/dbraw/zinc/57/89/33/285578933.db2.gz ZTTRXEZAPGJHJO-BYPYZUCNSA-N 0 0 266.116 3.126 50 5 CGBARN O=C(c1cccc([N+](=O)[O-])c1)c1ccccc1Cl ZINC000002392550 169790811 /nfs/dbraw/zinc/79/08/11/169790811.db2.gz QWTRXOQFGKHZBP-UHFFFAOYSA-N 0 0 261.664 3.479 50 5 CGBARN Cc1cc([N+](=O)[O-])ccc1NCc1ccccc1[N+](=O)[O-] ZINC000004891721 170037029 /nfs/dbraw/zinc/03/70/29/170037029.db2.gz JONKKJICAZYXPX-UHFFFAOYSA-N 0 0 287.275 3.424 50 5 CGBARN COc1cccc(CNc2ccccc2[N+](=O)[O-])c1 ZINC000004904917 170038894 /nfs/dbraw/zinc/03/88/94/170038894.db2.gz UYFSQBCZXCTYAV-UHFFFAOYSA-N 0 0 258.277 3.216 50 5 CGBARN CC(C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000004996860 170052292 /nfs/dbraw/zinc/05/22/92/170052292.db2.gz FJVOLILKUDLMGP-UHFFFAOYSA-N 0 0 256.689 3.233 50 5 CGBARN Cc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000005013933 170055588 /nfs/dbraw/zinc/05/55/88/170055588.db2.gz RNTLWMDMULGDGA-UHFFFAOYSA-N 0 0 270.288 3.464 50 5 CGBARN Cc1cc(C)cc(Nc2ccc([N+](=O)[O-])nc2[N+](=O)[O-])c1 ZINC000005015803 170055758 /nfs/dbraw/zinc/05/57/58/170055758.db2.gz PAJDAHHFBQITKG-UHFFFAOYSA-N 0 0 288.263 3.258 50 5 CGBARN O=C(Nc1ccccc1[N+](=O)[O-])Oc1ccccc1 ZINC000005064214 170063013 /nfs/dbraw/zinc/06/30/13/170063013.db2.gz WAECYDDRTDAXDO-UHFFFAOYSA-N 0 0 258.233 3.206 50 5 CGBARN CCSc1ccc(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000005107859 170066610 /nfs/dbraw/zinc/06/66/10/170066610.db2.gz PLDCCHJHPDTKRA-UHFFFAOYSA-N 0 0 261.306 3.164 50 5 CGBARN Cc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2C)o1 ZINC000005942773 170159941 /nfs/dbraw/zinc/15/99/41/170159941.db2.gz QRZSMBXKYHRMSK-UHFFFAOYSA-N 0 0 260.249 3.057 50 5 CGBARN Cc1cccc(C(=O)Nc2ccccc2)c1[N+](=O)[O-] ZINC000006338363 170193786 /nfs/dbraw/zinc/19/37/86/170193786.db2.gz YKUPMOPTDPRVBG-UHFFFAOYSA-N 0 0 256.261 3.156 50 5 CGBARN CN(Cc1ccccc1F)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000006405396 170199015 /nfs/dbraw/zinc/19/90/15/170199015.db2.gz NUFQRZHPXFBXGG-UHFFFAOYSA-N 0 0 288.278 3.006 50 5 CGBARN O=C(Cc1c[nH]c2ccccc12)Nc1cccc([N+](=O)[O-])c1 ZINC000008286378 170328729 /nfs/dbraw/zinc/32/87/29/170328729.db2.gz ZAVIELAFXOKHBT-UHFFFAOYSA-N 0 0 295.298 3.257 50 5 CGBARN COC(=O)c1cccc(-c2cccc([N+](=O)[O-])c2)c1 ZINC000022201647 171372434 /nfs/dbraw/zinc/37/24/34/171372434.db2.gz DCWSOKNZNVBULZ-UHFFFAOYSA-N 0 0 257.245 3.048 50 5 CGBARN CC(=O)c1ccc(NC(C2CC2)C2CC2)c([N+](=O)[O-])c1 ZINC000040039717 174184569 /nfs/dbraw/zinc/18/45/69/174184569.db2.gz KKVAMBURNKVZJI-UHFFFAOYSA-N 0 0 274.320 3.398 50 5 CGBARN COc1ccc([N+](=O)[O-])cc1CSCc1cc(C)no1 ZINC000078555622 177354003 /nfs/dbraw/zinc/35/40/03/177354003.db2.gz PMCMKXOKVWEJPA-UHFFFAOYSA-N 0 0 294.332 3.333 50 5 CGBARN CC/C=C/CCOC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000043761486 263296105 /nfs/dbraw/zinc/29/61/05/263296105.db2.gz LXTWESRJXYKTCU-ONEGZZNKSA-N 0 0 264.281 3.500 50 5 CGBARN O=Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000000732183 275031634 /nfs/dbraw/zinc/03/16/34/275031634.db2.gz CUVWNYMQNJNFGB-UHFFFAOYSA-N 0 0 293.282 3.260 50 5 CGBARN COC(=O)c1cc2c(c([N+](=O)[O-])c1)Oc1ccccc1O2 ZINC000008816509 277424707 /nfs/dbraw/zinc/42/47/07/277424707.db2.gz JYLAMTJIBGZHLT-UHFFFAOYSA-N 0 0 287.227 3.279 50 5 CGBARN C[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2)c2ccccc2O1 ZINC000041155539 288046261 /nfs/dbraw/zinc/04/62/61/288046261.db2.gz HRFOFZOBRIBMEA-LLVKDONJSA-N 0 0 298.298 3.023 50 5 CGBARN Cc1c(C(=O)N[C@H]2CCCC[C@H]2C)cccc1[N+](=O)[O-] ZINC000002883232 278591552 /nfs/dbraw/zinc/59/15/52/278591552.db2.gz WCNVQOKKYWGOMY-MFKMUULPSA-N 0 0 276.336 3.212 50 5 CGBARN Cc1cc(Cl)c([N+](=O)[O-])cc1Br ZINC000087493324 278692011 /nfs/dbraw/zinc/69/20/11/278692011.db2.gz GFKQJMLNMYPKNC-UHFFFAOYSA-N 0 0 250.479 3.319 50 5 CGBARN Cc1cn2cc(-c3ccc([N+](=O)[O-])cc3)nc2s1 ZINC000000433048 281555945 /nfs/dbraw/zinc/55/59/45/281555945.db2.gz TVNZIVGSNZNQOJ-UHFFFAOYSA-N 0 0 259.290 3.279 50 5 CGBARN Cc1cnc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)s1 ZINC000003555827 292932025 /nfs/dbraw/zinc/93/20/25/292932025.db2.gz FBXGSXWLZKOXPY-UHFFFAOYSA-N 0 0 297.723 3.265 50 5 CGBARN O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1cccc(F)c1 ZINC000000450075 518200933 /nfs/dbraw/zinc/20/09/33/518200933.db2.gz XKIYRSJIVWEAPT-UHFFFAOYSA-N 0 0 278.214 3.125 50 5 CGBARN O=C(/C=C\c1ccsc1)OCc1cccc([N+](=O)[O-])c1 ZINC000097996541 640888497 /nfs/dbraw/zinc/88/84/97/640888497.db2.gz AOQAEXOCITXPKX-PLNGDYQASA-N 0 0 289.312 3.413 50 5 CGBARN C[C@H](c1nc(-c2ccncc2)no1)c1ccc([N+](=O)[O-])cc1 ZINC000000472296 640924993 /nfs/dbraw/zinc/92/49/93/640924993.db2.gz IVFAFOIDLVDMEU-JTQLQIEISA-N 0 0 296.286 3.192 50 5 CGBARN O=[N+]([O-])c1ccccc1CNc1cc(CO)ccc1Cl ZINC000083138476 178340177 /nfs/dbraw/zinc/34/01/77/178340177.db2.gz IVTHFCFJIXZPBM-UHFFFAOYSA-N 0 0 292.722 3.353 50 5 CGBARN O=[N+]([O-])c1ccc(N[C@H](CCO)c2cccs2)cc1 ZINC000072293843 345408840 /nfs/dbraw/zinc/40/88/40/345408840.db2.gz ZIQSIDNMXZDEJB-GFCCVEGCSA-N 0 0 278.333 3.192 50 5 CGBARN Cc1sc2ncn3c(nc4ccccc4c3=O)c2c1C ZINC000000060414 282488245 /nfs/dbraw/zinc/48/82/45/282488245.db2.gz RWYFFIMXTIHQKJ-UHFFFAOYSA-N 0 0 281.340 3.074 50 5 CGBARN COc1ccc(CSc2nnc(C)s2)cc1[N+](=O)[O-] ZINC000000062423 368280958 /nfs/dbraw/zinc/28/09/58/368280958.db2.gz QMLQEXCFDKLQQC-UHFFFAOYSA-N 0 0 297.361 3.056 50 5 CGBARN Cc1cc(C)n([C@@H](C[N+](=O)[O-])c2cccc(Cl)c2)n1 ZINC000000075184 368282827 /nfs/dbraw/zinc/28/28/27/368282827.db2.gz MKPCVRNXIDTMAC-ZDUSSCGKSA-N 0 0 279.727 3.019 50 5 CGBARN COc1ccc(-c2nc(-c3cccc([N+](=O)[O-])c3)no2)cc1 ZINC000000078513 368284423 /nfs/dbraw/zinc/28/44/23/368284423.db2.gz KVWCSKAFDFBAEH-UHFFFAOYSA-N 0 0 297.270 3.320 50 5 CGBARN CC(=O)c1cccc(NC(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000000125543 368295789 /nfs/dbraw/zinc/29/57/89/368295789.db2.gz FHLQCJOGNTWKMQ-UHFFFAOYSA-N 0 0 284.271 3.050 50 5 CGBARN O=[N+]([O-])C1=Cc2ccccc2O[C@@H]1c1ccc2c(c1)OCO2 ZINC000000140457 368299756 /nfs/dbraw/zinc/29/97/56/368299756.db2.gz MNOXMLFPCBCFJG-MRXNPFEDSA-N 0 0 297.266 3.167 50 5 biogenic,in-vitro CGBARN C[C@H]1CCCCN1C(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000000444324 368367808 /nfs/dbraw/zinc/36/78/08/368367808.db2.gz HAOPOICZXWUGKS-BCPZQOPPSA-N 0 0 274.320 3.009 50 5 CGBARN COc1ccc(/C=C/C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000000258798 368327081 /nfs/dbraw/zinc/32/70/81/368327081.db2.gz GQOIAGAMZQUXML-JXMROGBWSA-N 0 0 298.298 3.255 50 5 biogenic CGBARN COc1ccc(NCc2ccc([N+](=O)[O-])s2)cc1 ZINC000000279557 368332325 /nfs/dbraw/zinc/33/23/25/368332325.db2.gz RKBJVTYCTWFERX-UHFFFAOYSA-N 0 0 264.306 3.277 50 5 CGBARN O=C(Nc1ccc(F)c(F)c1)c1ccccc1[N+](=O)[O-] ZINC000000304650 368337570 /nfs/dbraw/zinc/33/75/70/368337570.db2.gz VKWOVAJIGQGXAZ-UHFFFAOYSA-N 0 0 278.214 3.125 50 5 CGBARN Cc1cc(C)cc(OC(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000000309994 368338757 /nfs/dbraw/zinc/33/87/57/368338757.db2.gz UTBNFEAUXMXAJS-UHFFFAOYSA-N 0 0 271.272 3.431 50 5 CGBARN CC(=O)c1cccc(OC(=O)c2cccc([N+](=O)[O-])c2C)c1 ZINC000000318506 368340591 /nfs/dbraw/zinc/34/05/91/368340591.db2.gz YPNWAYLCXXJHOF-UHFFFAOYSA-N 0 0 299.282 3.325 50 5 CGBARN Cc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2F)s1 ZINC000000355899 368347615 /nfs/dbraw/zinc/34/76/15/368347615.db2.gz LRZXJAOUUBYAPE-UHFFFAOYSA-N 0 0 280.280 3.356 50 5 CGBARN O=C(/C=C/c1cccs1)Nc1cccc([N+](=O)[O-])c1 ZINC000000473244 368374163 /nfs/dbraw/zinc/37/41/63/368374163.db2.gz QWQZOPMFZQNFOB-VOTSOKGWSA-N 0 0 274.301 3.308 50 5 CGBARN O=C(Nc1cccc2ncccc21)c1ccccc1[N+](=O)[O-] ZINC000000556407 368388025 /nfs/dbraw/zinc/38/80/25/368388025.db2.gz XEYLVIMKRXECCW-UHFFFAOYSA-N 0 0 293.282 3.395 50 5 CGBARN CC1CCN(C(=S)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000000609874 368391358 /nfs/dbraw/zinc/39/13/58/368391358.db2.gz ZLJFNEYKDTWVNX-UHFFFAOYSA-N 0 0 264.350 3.002 50 5 CGBARN CCCCOC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000001770710 368437842 /nfs/dbraw/zinc/43/78/42/368437842.db2.gz HFRHMYBARXUBGS-UHFFFAOYSA-N 0 0 252.270 3.252 50 5 CGBARN CCOC(=O)c1ccc(C(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000002392598 368455003 /nfs/dbraw/zinc/45/50/03/368455003.db2.gz SHCZCLVDUFEGFY-UHFFFAOYSA-N 0 0 299.282 3.003 50 5 CGBARN Nc1c(-c2ccccc2)cnn1-c1cccc([N+](=O)[O-])c1 ZINC000002508429 368457787 /nfs/dbraw/zinc/45/77/87/368457787.db2.gz CCZMCCQJAWHSOU-UHFFFAOYSA-N 0 0 280.287 3.030 50 5 CGBARN Nc1c2ccc([N+](=O)[O-])cc2oc1C(=O)c1ccccc1 ZINC000002581161 368467501 /nfs/dbraw/zinc/46/75/01/368467501.db2.gz VBCOORLNGQAWSF-UHFFFAOYSA-N 0 0 282.255 3.154 50 5 CGBARN O=[N+]([O-])c1ccc(Cc2nc(-c3ccccc3)no2)cc1 ZINC000003298783 368500432 /nfs/dbraw/zinc/50/04/32/368500432.db2.gz LDYRNSQNNJWSHN-UHFFFAOYSA-N 0 0 281.271 3.236 50 5 CGBARN C[C@H](CNC(=O)c1cccs1)c1ccc([N+](=O)[O-])cc1 ZINC000002858498 368481430 /nfs/dbraw/zinc/48/14/30/368481430.db2.gz FIDBVIGZDMSOQJ-SNVBAGLBSA-N 0 0 290.344 3.190 50 5 CGBARN COc1cccc(OCCOc2ccccc2[N+](=O)[O-])c1 ZINC000002986929 368487175 /nfs/dbraw/zinc/48/71/75/368487175.db2.gz BCGVJIQNNWHELT-UHFFFAOYSA-N 0 0 289.287 3.061 50 5 CGBARN O=C(Nc1ccc([N+](=O)[O-])cc1)c1c(F)cccc1F ZINC000004010109 368525876 /nfs/dbraw/zinc/52/58/76/368525876.db2.gz KPUOTLVWJHMQEX-UHFFFAOYSA-N 0 0 278.214 3.125 50 5 CGBARN O=[N+]([O-])c1ccc(COc2ncnc3sccc32)cc1 ZINC000003512484 368510552 /nfs/dbraw/zinc/51/05/52/368510552.db2.gz DQAJIORYUMXLIA-UHFFFAOYSA-N 0 0 287.300 3.179 50 5 CGBARN CC(C)(CCO)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000004300266 368541635 /nfs/dbraw/zinc/54/16/35/368541635.db2.gz IHWOXOLBDFASSQ-UHFFFAOYSA-N 0 0 292.257 3.187 50 5 CGBARN O=[N+]([O-])c1ccc([C@@H]2Nc3ccc([N+](=O)[O-])cc3N2)s1 ZINC000004299808 368542068 /nfs/dbraw/zinc/54/20/68/368542068.db2.gz IBYMEFQBLQFXCM-LLVKDONJSA-N 0 0 292.276 3.101 50 5 CGBARN CC[C@H](C)C(=O)Nc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000004524543 368549970 /nfs/dbraw/zinc/54/99/70/368549970.db2.gz GZDKCUNLWPSIPA-ZETCQYMHSA-N 0 0 279.321 3.189 50 5 CGBARN O=C1Nc2ccccc2[C@H]1CCNc1ccccc1[N+](=O)[O-] ZINC000012522302 368616053 /nfs/dbraw/zinc/61/60/53/368616053.db2.gz LOEYJBJAUITSRU-GFCCVEGCSA-N 0 0 297.314 3.133 50 5 CGBARN Cc1ccc(F)cc1NC(=O)c1ccc(F)c([N+](=O)[O-])c1 ZINC000018115481 368739521 /nfs/dbraw/zinc/73/95/21/368739521.db2.gz OYUDQQVHSQQSKU-UHFFFAOYSA-N 0 0 292.241 3.434 50 5 CGBARN CC(C)COc1ccc([N+](=O)[O-])cc1Br ZINC000034142061 368972946 /nfs/dbraw/zinc/97/29/46/368972946.db2.gz JMHCNCPLRUGADS-UHFFFAOYSA-N 0 0 274.114 3.392 50 5 CGBARN O=C(/C=C\c1cccc([N+](=O)[O-])c1)N1CCCCCC1 ZINC000033246935 368961438 /nfs/dbraw/zinc/96/14/38/368961438.db2.gz FENYUYIKUBGJHI-HJWRWDBZSA-N 0 0 274.320 3.011 50 5 CGBARN O=C(NC[C@@H]1CC=CCC1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000149195241 371526012 /nfs/dbraw/zinc/52/60/12/371526012.db2.gz TVPKEOYIJYQBED-SNVBAGLBSA-N 0 0 294.738 3.334 50 5 CGBARN Cc1cc(OCc2ccccn2)c(F)cc1[N+](=O)[O-] ZINC000185681622 374713594 /nfs/dbraw/zinc/71/35/94/374713594.db2.gz UAWGRPDGSGKGBC-UHFFFAOYSA-N 0 0 262.240 3.016 50 5 CGBARN Cc1cc([C@H](C)Nc2ncc([N+](=O)[O-])s2)c(C)o1 ZINC000189685334 375435712 /nfs/dbraw/zinc/43/57/12/375435712.db2.gz FEXJWYWLCWZRNX-ZETCQYMHSA-N 0 0 267.310 3.434 50 5 CGBARN Cc1cc([N+](=O)[O-])ccc1CNc1cccc(CO)c1 ZINC000191945911 375682114 /nfs/dbraw/zinc/68/21/14/375682114.db2.gz LTWOOZIGBCIULM-UHFFFAOYSA-N 0 0 272.304 3.008 50 5 CGBARN Cc1c(Br)ccc(OC(F)F)c1[N+](=O)[O-] ZINC000263623190 190070238 /nfs/dbraw/zinc/07/02/38/190070238.db2.gz FMFDCQVSNGYRTK-UHFFFAOYSA-N 0 0 282.040 3.267 50 5 CGBARN CCOC(=O)c1ccc(Cl)c(Cl)c1[N+](=O)[O-] ZINC000263622959 190070458 /nfs/dbraw/zinc/07/04/58/190070458.db2.gz CKZKNNGIBOJCST-UHFFFAOYSA-N 0 0 264.064 3.078 50 5 CGBARN Cc1c(C(=O)Nc2ccccc2F)cccc1[N+](=O)[O-] ZINC000000102222 169536699 /nfs/dbraw/zinc/53/66/99/169536699.db2.gz LHYFPSUHMFBOLM-UHFFFAOYSA-N 0 0 274.251 3.295 50 5 CGBARN COC(=O)c1sccc1Oc1ccccc1[N+](=O)[O-] ZINC000000166266 169560534 /nfs/dbraw/zinc/56/05/34/169560534.db2.gz BYAMNBQBFALVSD-UHFFFAOYSA-N 0 0 279.273 3.235 50 5 CGBARN COc1cccc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000000272278 169593857 /nfs/dbraw/zinc/59/38/57/169593857.db2.gz UXRUYQIVISCXJE-UHFFFAOYSA-N 0 0 286.287 3.164 50 5 CGBARN O=[N+]([O-])c1ccc(N2CCCCC2)c2ncccc12 ZINC000004004576 285122293 /nfs/dbraw/zinc/12/22/93/285122293.db2.gz MJKNJLAZNNSLRM-UHFFFAOYSA-N 0 0 257.293 3.133 50 5 CGBARN CC(C)CNc1cc(N2CCCC2)ccc1[N+](=O)[O-] ZINC000004739196 391921289 /nfs/dbraw/zinc/92/12/89/391921289.db2.gz IQMXXHNWOFKQHM-UHFFFAOYSA-N 0 0 263.341 3.263 50 5 CGBARN O=[N+]([O-])c1cc(Cl)c(F)cc1Br ZINC000067796573 296498532 /nfs/dbraw/zinc/49/85/32/296498532.db2.gz IBPDXAYILRNZRH-UHFFFAOYSA-N 0 0 254.442 3.150 50 5 CGBARN Cc1ccc(C(=O)N2c3ccccc3C[C@@H]2C)cc1[N+](=O)[O-] ZINC000009355779 292071002 /nfs/dbraw/zinc/07/10/02/292071002.db2.gz KPBPZKMOYYEVLT-LBPRGKRZSA-N 0 0 296.326 3.495 50 5 CGBARN O=C(/C=C/c1cccs1)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000002749004 169825425 /nfs/dbraw/zinc/82/54/25/169825425.db2.gz FACQCRZZMWBMOL-GQCTYLIASA-N 0 0 292.291 3.447 50 5 CGBARN O=[N+]([O-])c1ccc(N2CCCC2)cc1NCc1cccnc1 ZINC000004331628 169958728 /nfs/dbraw/zinc/95/87/28/169958728.db2.gz GNXMBMFAHBQCBX-UHFFFAOYSA-N 0 0 298.346 3.202 50 5 CGBARN O=C(c1ccc([N+](=O)[O-])cc1)N1CC[C@@H](c2ccccc2)C1 ZINC000004761551 170013384 /nfs/dbraw/zinc/01/33/84/170013384.db2.gz IAICSBIOISXTJK-OAHLLOKOSA-N 0 0 296.326 3.225 50 5 CGBARN Cc1ccc(Nc2c3nonc3ccc2[N+](=O)[O-])cc1 ZINC000004949507 170044575 /nfs/dbraw/zinc/04/45/75/170044575.db2.gz UXNKWRWEHGQJBM-UHFFFAOYSA-N 0 0 270.248 3.183 50 5 CGBARN COc1ccc(C(=O)Nc2c(C)cccc2[N+](=O)[O-])cc1 ZINC000004986022 170049370 /nfs/dbraw/zinc/04/93/70/170049370.db2.gz JIBFTDBUEBKBHQ-UHFFFAOYSA-N 0 0 286.287 3.164 50 5 CGBARN Cc1ccc(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cc1 ZINC000005005931 170054109 /nfs/dbraw/zinc/05/41/09/170054109.db2.gz WNDQSOIFUBJSIO-UHFFFAOYSA-N 0 0 274.251 3.295 50 5 CGBARN O=C(/C=C\c1ccc([N+](=O)[O-])o1)Nc1ccc(Cl)cc1 ZINC000013882060 170606083 /nfs/dbraw/zinc/60/60/83/170606083.db2.gz MOSSMDUQGHISID-ALCCZGGFSA-N 0 0 292.678 3.493 50 5 CGBARN O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccccc1)C1CC1 ZINC000031096835 171630303 /nfs/dbraw/zinc/63/03/03/171630303.db2.gz LPTYHVJITRPKON-UHFFFAOYSA-N 0 0 296.326 3.400 50 5 CGBARN O=C1O[C@@H](Nc2ccc(F)cc2[N+](=O)[O-])c2ccccc21 ZINC000040476884 174283078 /nfs/dbraw/zinc/28/30/78/174283078.db2.gz YQYCYTOAAABOMH-CYBMUJFWSA-N 0 0 288.234 3.015 50 5 CGBARN O=[N+]([O-])c1ccc(Sc2ncc[nH]2)c2ccncc21 ZINC000078469913 177343790 /nfs/dbraw/zinc/34/37/90/177343790.db2.gz ZOBUPGRNIPXQBI-UHFFFAOYSA-N 0 0 272.289 3.017 50 5 CGBARN O=[N+]([O-])c1ncccc1OCc1cc(-c2ccccc2)no1 ZINC000012643941 260062969 /nfs/dbraw/zinc/06/29/69/260062969.db2.gz NRUKYYVNIKXVAK-UHFFFAOYSA-N 0 0 297.270 3.224 50 5 CGBARN Nc1cc(-c2ccccc2)nn1-c1ccc([N+](=O)[O-])cc1 ZINC000000451451 274964126 /nfs/dbraw/zinc/96/41/26/274964126.db2.gz HPMXTCWUUVDDHY-UHFFFAOYSA-N 0 0 280.287 3.030 50 5 CGBARN CCC1(C)COC(c2ccc([N+](=O)[O-])cc2)OC1 ZINC000005524503 275961302 /nfs/dbraw/zinc/96/13/02/275961302.db2.gz WLLDZCSYOXQNDX-UHFFFAOYSA-N 0 0 251.282 3.057 50 5 CGBARN Cn1cnc([N+](=O)[O-])c1Oc1cc(Cl)ccc1Cl ZINC000008318062 279385487 /nfs/dbraw/zinc/38/54/87/279385487.db2.gz UFJYMQLMPKPDRQ-UHFFFAOYSA-N 0 0 288.090 3.427 50 5 CGBARN O=C(c1ccc([N+](=O)[O-])cc1)N1CC[C@@H]2CCCC[C@@H]2C1 ZINC000008161096 280190540 /nfs/dbraw/zinc/19/05/40/280190540.db2.gz CDEUIZXPPIBTLT-GXTWGEPZSA-N 0 0 288.347 3.247 50 5 CGBARN Cc1c(C(=O)N2c3ccccc3C[C@H]2C)cccc1[N+](=O)[O-] ZINC000009426452 280214140 /nfs/dbraw/zinc/21/41/40/280214140.db2.gz MYRVFNOWLQSJEQ-LLVKDONJSA-N 0 0 296.326 3.495 50 5 CGBARN O=[N+]([O-])C1=Cc2ccccc2O[C@H]1C(Cl)(Cl)Cl ZINC000006668627 280353170 /nfs/dbraw/zinc/35/31/70/280353170.db2.gz YXYSGEIJKFSRPM-SECBINFHSA-N 0 0 294.521 3.435 50 5 CGBARN O=c1[nH]c2ccc(Br)cc2c2ccccc12 ZINC000017020924 280387128 /nfs/dbraw/zinc/38/71/28/280387128.db2.gz OJWSCRAZKRSYIB-UHFFFAOYSA-N 0 0 274.117 3.444 50 5 in-vitro CGBARN Cc1cc([N+](=O)[O-])ccc1NC(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC000017022613 280662878 /nfs/dbraw/zinc/66/28/78/280662878.db2.gz IKHPEAQGRLJROV-QWRGUYRKSA-N 0 0 291.351 3.413 50 5 CGBARN Cc1ccc2c(c1)Oc1ccc([N+](=O)[O-])cc1C(=O)N2 ZINC000004105269 281081889 /nfs/dbraw/zinc/08/18/89/281081889.db2.gz PTULHSNFKGQOAW-UHFFFAOYSA-N 0 0 270.244 3.261 50 5 CGBARN Cc1nc2ccccc2n1-c1ccc([N+](=O)[O-])cc1 ZINC000003471162 282076059 /nfs/dbraw/zinc/07/60/59/282076059.db2.gz FKAKCQMIWJTHBV-UHFFFAOYSA-N 0 0 253.261 3.242 50 5 CGBARN CCC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000005501036 326816021 /nfs/dbraw/zinc/81/60/21/326816021.db2.gz BDRBBHYEQUMXFV-UHFFFAOYSA-N 0 0 298.298 3.440 50 5 CGBARN CC(=O)c1ccc(OC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000004071342 527324428 /nfs/dbraw/zinc/32/44/28/527324428.db2.gz QRSMVWCVVRYQIQ-UHFFFAOYSA-N 0 0 285.255 3.017 50 5 CGBARN Cn1c2ccc([N+](=O)[O-])cc2c2c1ccnc2Cl ZINC000005394703 344861941 /nfs/dbraw/zinc/86/19/41/344861941.db2.gz YXFIEIYIEJBLLV-UHFFFAOYSA-N 0 0 261.668 3.288 50 5 CGBARN O=[N+]([O-])C([N+](=O)[O-])=S(c1ccccc1)c1ccccc1 ZINC000019331095 344890251 /nfs/dbraw/zinc/89/02/51/344890251.db2.gz CIEYBQPYDBMYSG-UHFFFAOYSA-N 0 0 290.300 3.014 50 5 CGBARN C[C@@H](Nc1ccc2oc(=O)[nH]c2c1)c1ccc([N+](=O)[O-])cc1 ZINC000078998250 345627116 /nfs/dbraw/zinc/62/71/16/345627116.db2.gz PKEUUZGGOFCNDL-SECBINFHSA-N 0 0 299.286 3.202 50 5 CGBARN Cc1cc(C)n([C@H](C[N+](=O)[O-])c2cccc(Cl)c2)n1 ZINC000000075187 368282739 /nfs/dbraw/zinc/28/27/39/368282739.db2.gz MKPCVRNXIDTMAC-CYBMUJFWSA-N 0 0 279.727 3.019 50 5 CGBARN O=[N+]([O-])C1=Cc2ccccc2O[C@@H]1c1cccs1 ZINC000000100129 368289512 /nfs/dbraw/zinc/28/95/12/368289512.db2.gz XLVNDDXFQRTQKA-ZDUSSCGKSA-N 0 0 259.286 3.499 50 5 CGBARN O=c1c2ccccc2nc2c3ccccc3c(Cl)nn12 ZINC000000126689 368296212 /nfs/dbraw/zinc/29/62/12/368296212.db2.gz MUHBDIDXVUEIHJ-UHFFFAOYSA-N 0 0 281.702 3.049 50 5 CGBARN O=C(c1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)CCC2 ZINC000000164918 368306186 /nfs/dbraw/zinc/30/61/86/368306186.db2.gz LGRAVNLVVOKVIQ-UHFFFAOYSA-N 0 0 267.284 3.315 50 5 CGBARN O=C(c1ccccc1)c1ccc([N+](=O)[O-])cc1Cl ZINC000000456752 368370756 /nfs/dbraw/zinc/37/07/56/368370756.db2.gz PGIPTXFXNUVZFZ-UHFFFAOYSA-N 0 0 261.664 3.479 50 5 CGBARN O=Cc1ccc(-c2ccc([N+](=O)[O-])c(Cl)c2)o1 ZINC000000312735 368339671 /nfs/dbraw/zinc/33/96/71/368339671.db2.gz JAVSKOGDBJUBQU-UHFFFAOYSA-N 0 0 251.625 3.321 50 5 CGBARN Nc1cc(Oc2cncc(Cl)c2)cc([N+](=O)[O-])c1 ZINC000000322703 368340428 /nfs/dbraw/zinc/34/04/28/368340428.db2.gz XYIYKXHYLNXYDB-UHFFFAOYSA-N 0 0 265.656 3.018 50 5 CGBARN CCC(CC)C(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000000466737 368372672 /nfs/dbraw/zinc/37/26/72/368372672.db2.gz BMUMAKCIQYXNTM-UHFFFAOYSA-N 0 0 254.261 3.109 50 5 CGBARN Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1C ZINC000000485420 368377647 /nfs/dbraw/zinc/37/76/47/368377647.db2.gz YLZMVZQHGYNUFT-UHFFFAOYSA-N 0 0 270.288 3.464 50 5 CGBARN CC(=O)Nc1cccc(OCc2ccc([N+](=O)[O-])cc2)c1 ZINC000000614062 368392240 /nfs/dbraw/zinc/39/22/40/368392240.db2.gz MMDGSBGOFKNUST-UHFFFAOYSA-N 0 0 286.287 3.132 50 5 CGBARN O=[N+]([O-])c1c2nsnc2ccc1Sc1ccccn1 ZINC000000615477 368392594 /nfs/dbraw/zinc/39/25/94/368392594.db2.gz REUVASQWPBDEDA-UHFFFAOYSA-N 0 0 290.329 3.146 50 5 CGBARN O=[N+]([O-])c1ccccc1Oc1cnc2ccccc2n1 ZINC000001384823 368409149 /nfs/dbraw/zinc/40/91/49/368409149.db2.gz WBBHAJNBGSXMJS-UHFFFAOYSA-N 0 0 267.244 3.330 50 5 CGBARN Cc1ccc(-c2cnn(-c3cccc([N+](=O)[O-])c3)c2N)cc1 ZINC000002508446 368457555 /nfs/dbraw/zinc/45/75/55/368457555.db2.gz ZJRPZJNFUUXQMR-UHFFFAOYSA-N 0 0 294.314 3.338 50 5 CGBARN CCOC(=O)c1sc(-c2cccc([N+](=O)[O-])c2)cc1N ZINC000003278016 368500549 /nfs/dbraw/zinc/50/05/49/368500549.db2.gz LLXALUHICJMTIE-UHFFFAOYSA-N 0 0 292.316 3.082 50 5 CGBARN CCOc1ccc(NC(=O)c2ccccc2)c([N+](=O)[O-])c1 ZINC000003896291 368523423 /nfs/dbraw/zinc/52/34/23/368523423.db2.gz GEPBHBOPAREGKK-UHFFFAOYSA-N 0 0 286.287 3.246 50 5 CGBARN COc1ccc(NC(=O)Oc2ccccc2)c([N+](=O)[O-])c1 ZINC000012505385 368614378 /nfs/dbraw/zinc/61/43/78/368614378.db2.gz AVIQJJIORLWADD-UHFFFAOYSA-N 0 0 288.259 3.214 50 5 CGBARN O=c1nc(Nc2ccccc2)sc2ccc([N+](=O)[O-])cc12 ZINC000017889283 368734846 /nfs/dbraw/zinc/73/48/46/368734846.db2.gz KOPIUBDXEWDVQV-UHFFFAOYSA-N 0 0 299.311 3.308 50 5 CGBARN O=[N+]([O-])c1ccc(N2CCC(c3ccc(O)cc3)CC2)nc1 ZINC000029530983 368896850 /nfs/dbraw/zinc/89/68/50/368896850.db2.gz YJZGQTQVIZYJIK-UHFFFAOYSA-N 0 0 299.330 3.079 50 5 CGBARN Cn1cnc([N+](=O)[O-])c1NCCc1cccc2ccccc21 ZINC000029626274 368898392 /nfs/dbraw/zinc/89/83/92/368898392.db2.gz CPLLPLMWEAQENS-UHFFFAOYSA-N 0 0 296.330 3.136 50 5 CGBARN CCN(Cc1ccc(C)c([N+](=O)[O-])c1)Cc1ccccn1 ZINC000093338739 370118950 /nfs/dbraw/zinc/11/89/50/370118950.db2.gz GFTRZFNBYBCBOA-UHFFFAOYSA-N 0 0 285.347 3.320 50 5 CGBARN O=C(Nc1c(F)cccc1F)c1ccc([N+](=O)[O-])cc1 ZINC000000562886 284269946 /nfs/dbraw/zinc/26/99/46/284269946.db2.gz ZCQMPUSKXVSHRC-UHFFFAOYSA-N 0 0 278.214 3.125 50 5 CGBARN Cc1cc([N+](=O)[O-])cc(OC(F)F)c1Br ZINC000263624168 190071130 /nfs/dbraw/zinc/07/11/30/190071130.db2.gz OAVPJHQFTCXHFA-UHFFFAOYSA-N 0 0 282.040 3.267 50 5 CGBARN O=C(/C=C/c1ccccc1)Nc1cccc([N+](=O)[O-])c1 ZINC000000038706 169513413 /nfs/dbraw/zinc/51/34/13/169513413.db2.gz WGBZHIZJROMONE-MDZDMXLPSA-N 0 0 268.272 3.247 50 5 CGBARN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000000043858 169515488 /nfs/dbraw/zinc/51/54/88/169515488.db2.gz OTZYXPKYOAAGEU-LLVKDONJSA-N 0 0 270.288 3.086 50 5 CGBARN C[C@H](Nc1c(F)cc([N+](=O)[O-])cc1F)c1ccon1 ZINC000353267209 380198332 /nfs/dbraw/zinc/19/83/32/380198332.db2.gz PFAFHJCJNVBPHH-LURJTMIESA-N 0 0 269.207 3.034 50 5 CGBARN COc1cc(CNc2ccccc2)c([N+](=O)[O-])cc1OC ZINC000000263280 169590726 /nfs/dbraw/zinc/59/07/26/169590726.db2.gz QLYMKBTYZRVWQY-UHFFFAOYSA-N 0 0 288.303 3.224 50 5 CGBARN Cc1csc(-c2cc3cc([N+](=O)[O-])ccc3oc2=O)n1 ZINC000000273816 169594396 /nfs/dbraw/zinc/59/43/96/169594396.db2.gz MECQLTGWAOCKLC-UHFFFAOYSA-N 0 0 288.284 3.133 50 5 CGBARN O=Cc1ccccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000002751874 285033203 /nfs/dbraw/zinc/03/32/03/285033203.db2.gz HMQBFCQJSICGJX-UHFFFAOYSA-N 0 0 288.215 3.108 50 5 CGBARN O=Nc1c(-c2ccc([N+](=O)[O-])cc2)nc2ccccn21 ZINC000005532868 285034097 /nfs/dbraw/zinc/03/40/97/285034097.db2.gz AAVJZUPADMJRQF-UHFFFAOYSA-N 0 0 268.232 3.307 50 5 CGBARN O=[N+]([O-])c1ccc2c(c1)Cc1cc([N+](=O)[O-])ccc1-2 ZINC000001680753 285143724 /nfs/dbraw/zinc/14/37/24/285143724.db2.gz IHZCVUBSTYOFSJ-UHFFFAOYSA-N 0 0 256.217 3.074 50 5 CGBARN COc1ccc(NC(=O)c2ccccc2C)c([N+](=O)[O-])c1 ZINC000004016429 256847359 /nfs/dbraw/zinc/84/73/59/256847359.db2.gz GFPNQHDBSALTEN-UHFFFAOYSA-N 0 0 286.287 3.164 50 5 CGBARN O=[N+]([O-])c1c2cccnc2ccc1N1CCCCC1 ZINC000036533470 296496912 /nfs/dbraw/zinc/49/69/12/296496912.db2.gz CSULJRUBZZPJLD-UHFFFAOYSA-N 0 0 257.293 3.133 50 5 CGBARN O=C(Nc1ccc(F)c([N+](=O)[O-])c1)C1CCCCC1 ZINC000002172843 169779532 /nfs/dbraw/zinc/77/95/32/169779532.db2.gz JNVZXVGJUXSANR-UHFFFAOYSA-N 0 0 266.272 3.253 50 5 CGBARN COc1cccc(OCCOc2ccc([N+](=O)[O-])cc2)c1 ZINC000002994612 169848105 /nfs/dbraw/zinc/84/81/05/169848105.db2.gz LPIMMAAIBXBIJR-UHFFFAOYSA-N 0 0 289.287 3.061 50 5 CGBARN O=C(NCc1cccc(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000003562421 169897450 /nfs/dbraw/zinc/89/74/50/169897450.db2.gz PNKZMCISXQKMBG-UHFFFAOYSA-N 0 0 290.706 3.178 50 5 CGBARN O=[N+]([O-])c1cc(C(F)(F)F)ccc1NC[C@H]1CCCO1 ZINC000003880633 169919487 /nfs/dbraw/zinc/91/94/87/169919487.db2.gz VZNCLUWURSSLNS-SECBINFHSA-N 0 0 290.241 3.205 50 5 CGBARN COc1ccccc1-c1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000004568533 169985083 /nfs/dbraw/zinc/98/50/83/169985083.db2.gz RVXOFACJJMKRHR-UHFFFAOYSA-N 0 0 297.270 3.320 50 5 CGBARN CC[C@@H]1CCCC[N@@H+]1Cc1cc(OC)c([O-])c([N+](=O)[O-])c1 ZINC000004987876 170049649 /nfs/dbraw/zinc/04/96/49/170049649.db2.gz ONYCEDLEPFGXNN-GFCCVEGCSA-N 0 0 294.351 3.074 50 5 CGBARN Cc1cc(C)cc(C(=O)N(C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000005212257 170076473 /nfs/dbraw/zinc/07/64/73/170076473.db2.gz OFAQBOWPLGLGGH-UHFFFAOYSA-N 0 0 284.315 3.488 50 5 CGBARN Nc1cc(Cl)c([N+](=O)[O-])cc1COc1ccccc1 ZINC000005257053 170080462 /nfs/dbraw/zinc/08/04/62/170080462.db2.gz PJLWBOMLVMDHKC-UHFFFAOYSA-N 0 0 278.695 3.409 50 5 CGBARN CCCC(=O)Nc1ccc([N+](=O)[O-])c(NC(=O)CCC)c1 ZINC000005792116 170140769 /nfs/dbraw/zinc/14/07/69/170140769.db2.gz JKQUSEUWDINGBP-UHFFFAOYSA-N 0 0 293.323 3.072 50 5 CGBARN Cc1cc(C(=N)c2ccccc2)c([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000006280646 170188511 /nfs/dbraw/zinc/18/85/11/170188511.db2.gz SSSHPYBJKXLWKZ-UHFFFAOYSA-N 0 0 285.259 3.228 50 5 CGBARN Cc1cccc(NC(=O)c2cccc(C)c2[N+](=O)[O-])c1 ZINC000006338994 170193744 /nfs/dbraw/zinc/19/37/44/170193744.db2.gz HUAJYCBZXJMYQD-UHFFFAOYSA-N 0 0 270.288 3.464 50 5 CGBARN Cc1cc(C(=O)N(C)Cc2cccs2)ccc1[N+](=O)[O-] ZINC000006784654 170243355 /nfs/dbraw/zinc/24/33/55/170243355.db2.gz LZYTYMIHVOUYDU-UHFFFAOYSA-N 0 0 290.344 3.237 50 5 CGBARN O=C(Nc1cccnc1Cl)Nc1ccccc1[N+](=O)[O-] ZINC000006860044 170250861 /nfs/dbraw/zinc/25/08/61/170250861.db2.gz QSRBMRILIGKNAX-UHFFFAOYSA-N 0 0 292.682 3.287 50 5 CGBARN CCCCNC(=O)CS[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000007132975 170268714 /nfs/dbraw/zinc/26/87/14/170268714.db2.gz DICPLZFKBRWLST-NSHDSACASA-N 0 0 296.392 3.305 50 5 CGBARN Cc1ccc(NC(=O)[C@@H]2CC=CCC2)cc1[N+](=O)[O-] ZINC000014069907 170617933 /nfs/dbraw/zinc/61/79/33/170617933.db2.gz NYBBYCMUKRLJNK-LLVKDONJSA-N 0 0 260.293 3.198 50 5 CGBARN Cc1cccc(Nc2ncc([N+](=O)[O-])c(NC3CC3)n2)c1 ZINC000026690666 171496322 /nfs/dbraw/zinc/49/63/22/171496322.db2.gz OIPMIMBVWDPOED-UHFFFAOYSA-N 0 0 285.307 3.011 50 5 CGBARN COc1ccc(C(=O)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000038125870 174130661 /nfs/dbraw/zinc/13/06/61/174130661.db2.gz VMTHHNDNDNVRIE-UHFFFAOYSA-N 0 0 271.272 3.029 50 5 CGBARN CCc1nc(NC(=O)c2ccc([N+](=O)[O-])cc2)sc1C ZINC000040118954 174193291 /nfs/dbraw/zinc/19/32/91/174193291.db2.gz SLSYRGCRHALROQ-UHFFFAOYSA-N 0 0 291.332 3.174 50 5 CGBARN Cc1ccc(-c2csc(-c3cnccn3)n2)cc1[N+](=O)[O-] ZINC000057991423 175604587 /nfs/dbraw/zinc/60/45/87/175604587.db2.gz JXBFARYLIRYVDU-UHFFFAOYSA-N 0 0 298.327 3.484 50 5 CGBARN CSCC(=O)N(c1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000072290101 176361563 /nfs/dbraw/zinc/36/15/63/176361563.db2.gz FQKFSCRZBLIEHO-UHFFFAOYSA-N 0 0 294.376 3.233 50 5 CGBARN CC(=O)Nc1cc2c(cc1[N+](=O)[O-])Cc1ccccc1-2 ZINC000004759505 275488669 /nfs/dbraw/zinc/48/86/69/275488669.db2.gz UPMNEZPDVZWREZ-UHFFFAOYSA-N 0 0 268.272 3.124 50 5 CGBARN Cc1cc(Br)c([N+](=O)[O-])cc1Br ZINC000036532866 278626056 /nfs/dbraw/zinc/62/60/56/278626056.db2.gz LEYVOWUJMKYDOV-UHFFFAOYSA-N 0 0 294.930 3.428 50 5 CGBARN O=C1Nc2ccccc2/C1=C/c1ccccc1[N+](=O)[O-] ZINC000003156198 280303416 /nfs/dbraw/zinc/30/34/16/280303416.db2.gz BYWCHUVPMKUJLN-XFXZXTDPSA-N 0 0 266.256 3.088 50 5 CGBARN Cc1ccc2oc3c4ccccc4c(=O)oc3c(=O)c2c1 ZINC000000151694 281183789 /nfs/dbraw/zinc/18/37/89/281183789.db2.gz ZPDKORVUWFFFFB-UHFFFAOYSA-N 0 0 278.263 3.361 50 5 CGBARN COCc1nc(COc2ccc(C)cc2[N+](=O)[O-])cs1 ZINC000096455680 230377406 /nfs/dbraw/zinc/37/74/06/230377406.db2.gz KODXOGGPVVFORD-UHFFFAOYSA-N 0 0 294.332 3.085 50 5 CGBARN COC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)cc1F ZINC000085210153 178973355 /nfs/dbraw/zinc/97/33/55/178973355.db2.gz ZSFNELXOSKFDSK-UHFFFAOYSA-N 0 0 275.235 3.188 50 5 CGBARN CCCN(C(=O)c1cccnc1)c1cccc([N+](=O)[O-])c1 ZINC000194144645 189655542 /nfs/dbraw/zinc/65/55/42/189655542.db2.gz NSAQLCILISGYEQ-UHFFFAOYSA-N 0 0 285.303 3.047 50 5 CGBARN CCc1ccccc1NC(=O)c1ccccc1[N+](=O)[O-] ZINC000000241898 368323153 /nfs/dbraw/zinc/32/31/53/368323153.db2.gz SFXMWUGFZZPMND-UHFFFAOYSA-N 0 0 270.288 3.410 50 5 CGBARN CC(=O)c1cc2c(nc1C)oc1ccc(C)cc1c2=O ZINC000000154526 368304861 /nfs/dbraw/zinc/30/48/61/368304861.db2.gz XUDCPGKZAWCMIA-UHFFFAOYSA-N 0 0 267.284 3.161 50 5 CGBARN CCC[C@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000000442471 368367712 /nfs/dbraw/zinc/36/77/12/368367712.db2.gz DVSCUEBOTYDRPU-QMMMGPOBSA-N 0 0 270.716 3.167 50 5 CGBARN Cc1ccc(C(=O)c2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000000450125 368368768 /nfs/dbraw/zinc/36/87/68/368368768.db2.gz IVXPNHBDXKAHRJ-UHFFFAOYSA-N 0 0 255.273 3.443 50 5 CGBARN CC(C)C(NC(=O)/C=C/c1cccc([N+](=O)[O-])c1)C(C)C ZINC000000454211 368369344 /nfs/dbraw/zinc/36/93/44/368369344.db2.gz AJNCPLSSASEXHP-CMDGGOBGSA-N 0 0 290.363 3.405 50 5 CGBARN C[C@@H](C(=O)N(C)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000000472120 368373813 /nfs/dbraw/zinc/37/38/13/368373813.db2.gz SVIKBFCEEPDUCX-GFCCVEGCSA-N 0 0 284.315 3.361 50 5 CGBARN O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1cccs1 ZINC000000255521 368325408 /nfs/dbraw/zinc/32/54/08/368325408.db2.gz XHKMCZQNJSJJGR-UHFFFAOYSA-N 0 0 266.253 3.048 50 5 CGBARN O=C(Oc1ccccc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000000275477 368330505 /nfs/dbraw/zinc/33/05/05/368330505.db2.gz OQZVXVPRIGQLKS-UHFFFAOYSA-N 0 0 277.663 3.467 50 5 CGBARN Cc1ccc(C(=O)CNc2cccc([N+](=O)[O-])c2)cc1 ZINC000000287320 368333419 /nfs/dbraw/zinc/33/34/19/368333419.db2.gz VPWKYHYRBBBRCY-UHFFFAOYSA-N 0 0 270.288 3.198 50 5 CGBARN O=Cc1cn(-c2ccccc2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000000333620 368341934 /nfs/dbraw/zinc/34/19/34/368341934.db2.gz AMEPOKMBRWHPGX-UHFFFAOYSA-N 0 0 293.282 3.260 50 5 CGBARN O=[N+]([O-])c1cccc(-c2noc(-c3ccccc3F)n2)c1 ZINC000000468075 368373235 /nfs/dbraw/zinc/37/32/35/368373235.db2.gz FKZRTJZTUNWGLX-UHFFFAOYSA-N 0 0 285.234 3.451 50 5 CGBARN S=c1[nH]c2cc3c(cc2c2nc4ccccc4n21)OCO3 ZINC000000424511 368362845 /nfs/dbraw/zinc/36/28/45/368362845.db2.gz RZSPRVUJHAKGTH-UHFFFAOYSA-N 0 0 295.323 3.053 50 5 CGBARN Cc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000000493514 368379075 /nfs/dbraw/zinc/37/90/75/368379075.db2.gz REINFTHVGGYWAX-UHFFFAOYSA-N 0 0 256.261 3.156 50 5 CGBARN Cn1cnc([N+](=O)[O-])c1Oc1cccc2ccccc21 ZINC000000548460 368386036 /nfs/dbraw/zinc/38/60/36/368386036.db2.gz DWMKFHNGYSTTPN-UHFFFAOYSA-N 0 0 269.260 3.274 50 5 CGBARN COc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(C)oc1C ZINC000001055136 368400831 /nfs/dbraw/zinc/40/08/31/368400831.db2.gz XFDSQZMDHVHJGJ-UHFFFAOYSA-N 0 0 290.275 3.066 50 5 CGBARN O=C(OCc1ccc([N+](=O)[O-])cc1)c1ccccc1F ZINC000002846755 368481354 /nfs/dbraw/zinc/48/13/54/368481354.db2.gz IHFYEWZOGRAPDS-UHFFFAOYSA-N 0 0 275.235 3.091 50 5 CGBARN CCCCNc1c([N+](=O)[O-])cc(C)cc1[N+](=O)[O-] ZINC000004054660 368529919 /nfs/dbraw/zinc/52/99/19/368529919.db2.gz KBKNKPRDTRWITD-UHFFFAOYSA-N 0 0 253.258 3.023 50 5 CGBARN Cc1ccc(NC(=O)/C=C/c2ccco2)c([N+](=O)[O-])c1 ZINC000004113350 368532666 /nfs/dbraw/zinc/53/26/66/368532666.db2.gz FTUDQLWTMQASFO-FNORWQNLSA-N 0 0 272.260 3.148 50 5 CGBARN COc1ccccc1CNc1ccc([N+](=O)[O-])cc1 ZINC000004774765 368558819 /nfs/dbraw/zinc/55/88/19/368558819.db2.gz HFUVQUHMMAGOBU-UHFFFAOYSA-N 0 0 258.277 3.216 50 5 CGBARN C[C@@H](NC(=O)/C=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000012383825 368612005 /nfs/dbraw/zinc/61/20/05/368612005.db2.gz XLQHHCZQPNXQRV-OCHBPSSRSA-N 0 0 296.326 3.485 50 5 CGBARN CC(C)(C)OC(=O)n1ccc2c1cccc2[N+](=O)[O-] ZINC000012471839 368614080 /nfs/dbraw/zinc/61/40/80/368614080.db2.gz UKMLUDGMHPZXGN-UHFFFAOYSA-N 0 0 262.265 3.333 50 5 CGBARN C[C@H](c1cccs1)N(C)c1ccc([N+](=O)[O-])cn1 ZINC000013012932 368640819 /nfs/dbraw/zinc/64/08/19/368640819.db2.gz PZSURUXFGSULAG-SECBINFHSA-N 0 0 263.322 3.249 50 5 CGBARN C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])s1)c1ccccc1 ZINC000015744592 368701384 /nfs/dbraw/zinc/70/13/84/368701384.db2.gz ITLQGFWYHCXSAR-JTQLQIEISA-N 0 0 290.344 3.190 50 5 CGBARN Cc1ccc(NC(=O)C2CCCCC2)c([N+](=O)[O-])c1 ZINC000015777547 368702332 /nfs/dbraw/zinc/70/23/32/368702332.db2.gz PGNZXQDBGJIYKO-UHFFFAOYSA-N 0 0 262.309 3.422 50 5 CGBARN CCCCN(C)C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000032719898 368940982 /nfs/dbraw/zinc/94/09/82/368940982.db2.gz QIUMJBOIOQLZSV-UHFFFAOYSA-N 0 0 270.716 3.120 50 5 CGBARN Cc1cc(NCc2ccc3c(c2)OCO3)ccc1[N+](=O)[O-] ZINC000042244415 369206776 /nfs/dbraw/zinc/20/67/76/369206776.db2.gz NFWOQTZBPXITTJ-UHFFFAOYSA-N 0 0 286.287 3.244 50 5 CGBARN O=[N+]([O-])c1ncn(Cc2csc3c2cccc3Cl)n1 ZINC000084840754 541935471 /nfs/dbraw/zinc/93/54/71/541935471.db2.gz DUQIDQGBCQXMOF-UHFFFAOYSA-N 0 0 294.723 3.103 50 5 CGBARN Cc1cc(OC(F)F)c([N+](=O)[O-])cc1Br ZINC000263623453 190070376 /nfs/dbraw/zinc/07/03/76/190070376.db2.gz HQELGZFXIINOAI-UHFFFAOYSA-N 0 0 282.040 3.267 50 5 CGBARN N#C[C@@H](OC(=O)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000000129307 169546709 /nfs/dbraw/zinc/54/67/09/169546709.db2.gz QQXSHVPSBDZQCC-CQSZACIVSA-N 0 0 282.255 3.016 50 5 CGBARN CCN(C(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000000237458 169583038 /nfs/dbraw/zinc/58/30/38/169583038.db2.gz ISRMMVCZUINAHJ-UHFFFAOYSA-N 0 0 270.288 3.262 50 5 CGBARN Cc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)n1 ZINC000000240689 169583783 /nfs/dbraw/zinc/58/37/83/169583783.db2.gz GWVIFOHQEXMOTI-UHFFFAOYSA-N 0 0 291.694 3.204 50 5 CGBARN CC[C@@H](C)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000373115 169621505 /nfs/dbraw/zinc/62/15/05/169621505.db2.gz AHMQEOKUCDUMMS-SSDOTTSWSA-N 0 0 256.689 3.233 50 5 CGBARN Cc1cccc(NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2)n1 ZINC000000472033 169649647 /nfs/dbraw/zinc/64/96/47/169649647.db2.gz GDEWFJDQIBLKEB-NSHDSACASA-N 0 0 285.303 3.040 50 5 CGBARN COc1ccccc1NC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000000466293 169648177 /nfs/dbraw/zinc/64/81/77/169648177.db2.gz LLUCCAKCUKBNDO-UHFFFAOYSA-N 0 0 286.287 3.164 50 5 CGBARN O=C(Nc1nc(-c2cc([N+](=O)[O-])cs2)cs1)C1CC1 ZINC000004079324 184531234 /nfs/dbraw/zinc/53/12/34/184531234.db2.gz NOAZBLREPKAWAF-UHFFFAOYSA-N 0 0 295.345 3.128 50 5 CGBARN COc1ccc(NC(=O)C2CCCCC2)c([N+](=O)[O-])c1 ZINC000004610877 184532025 /nfs/dbraw/zinc/53/20/25/184532025.db2.gz BBRYWZCRZAHLHC-UHFFFAOYSA-N 0 0 278.308 3.122 50 5 CGBARN O=[N+]([O-])c1ccc(-c2nc3cc([N+](=O)[O-])ccc3o2)cc1 ZINC000002023524 285104902 /nfs/dbraw/zinc/10/49/02/285104902.db2.gz OUBDKKXSOQPPEM-UHFFFAOYSA-N 0 0 285.215 3.311 50 5 CGBARN O=[N+]([O-])c1ccc2cc(I)ccc2c1 ZINC000005428876 285147404 /nfs/dbraw/zinc/14/74/04/285147404.db2.gz HOSUDLAAQNPVAC-UHFFFAOYSA-N 0 0 299.067 3.353 50 5 CGBARN Cc1cc2oc(=O)c([N+](=O)[O-])c(Cl)c2cc1Cl ZINC000000057777 391905926 /nfs/dbraw/zinc/90/59/26/391905926.db2.gz IUKUFEBYXNMGLE-UHFFFAOYSA-N 0 0 274.059 3.316 50 5 CGBARN Cc1c(Br)cc([N+](=O)[O-])cc1Br ZINC000002517088 391915518 /nfs/dbraw/zinc/91/55/18/391915518.db2.gz HGDQAFSQPJJIFA-UHFFFAOYSA-N 0 0 294.930 3.428 50 5 CGBARN CC(=O)n1c2ccc([N+](=O)[O-])cc2c2cc([N+](=O)[O-])ccc21 ZINC000003129978 391917651 /nfs/dbraw/zinc/91/76/51/391917651.db2.gz JQKAYULRADOOCK-UHFFFAOYSA-N 0 0 299.242 3.271 50 5 CGBARN Cc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000003959532 391919429 /nfs/dbraw/zinc/91/94/29/391919429.db2.gz ABXKGSXNOJYBBX-UHFFFAOYSA-N 0 0 256.261 3.156 50 5 CGBARN COc1ccc([C@H]2Oc3ccccc3C[C@H]2[N+](=O)[O-])cc1 ZINC000252618424 393124300 /nfs/dbraw/zinc/12/43/00/393124300.db2.gz LGGXIMSJUQRDQF-GDBMZVCRSA-N 0 0 285.299 3.017 50 5 CGBARN O=[N+]([O-])c1cc(F)ccc1N1CCC[C@@H]1c1ccncc1 ZINC000270979846 296501420 /nfs/dbraw/zinc/50/14/20/296501420.db2.gz VJFQHTGYFNTZSJ-CYBMUJFWSA-N 0 0 287.294 3.470 50 5 CGBARN Cc1cc(C)cc(NC(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000004010916 169929957 /nfs/dbraw/zinc/92/99/57/169929957.db2.gz IZFDUPBWBGBEMM-UHFFFAOYSA-N 0 0 270.288 3.464 50 5 CGBARN Cc1[nH]nc(Nc2ccccc2Cl)c1[N+](=O)[O-] ZINC000004812809 170021846 /nfs/dbraw/zinc/02/18/46/170021846.db2.gz AUWDERDDJCISKX-UHFFFAOYSA-N 0 0 252.661 3.023 50 5 CGBARN CC[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cn1)c1ccccc1 ZINC000004881574 170035629 /nfs/dbraw/zinc/03/56/29/170035629.db2.gz BRBZBJLUCSYTKK-CYBMUJFWSA-N 0 0 285.303 3.122 50 5 CGBARN Cc1c(NC(=O)CCC(C)C)cccc1[N+](=O)[O-] ZINC000006790507 170244368 /nfs/dbraw/zinc/24/43/68/170244368.db2.gz HCPKJJQRVIFDQV-UHFFFAOYSA-N 0 0 250.298 3.278 50 5 CGBARN Cc1cc(CNc2ccc([N+](=O)[O-])cn2)ccc1F ZINC000022195731 171371912 /nfs/dbraw/zinc/37/19/12/171371912.db2.gz FXXWIHBCPNKKJC-UHFFFAOYSA-N 0 0 261.256 3.049 50 5 CGBARN Cc1ccc(COc2cc([N+](=O)[O-])ccc2N)cc1 ZINC000035324467 172126906 /nfs/dbraw/zinc/12/69/06/172126906.db2.gz NSQJWYDTXZTQMW-UHFFFAOYSA-N 0 0 258.277 3.064 50 5 CGBARN COc1ccccc1C[C@@H](C)Nc1ncccc1[N+](=O)[O-] ZINC000048300840 416446827 /nfs/dbraw/zinc/44/68/27/416446827.db2.gz REXBSUOUYFCXQE-LLVKDONJSA-N 0 0 287.319 3.042 50 5 CGBARN CCOC(=O)c1cc(N[C@@H](C)CC)c(F)cc1[N+](=O)[O-] ZINC000725261724 544113873 /nfs/dbraw/zinc/11/38/73/544113873.db2.gz DOKFIEXKOLSNJC-QMMMGPOBSA-N 0 0 284.287 3.121 50 5 CGBARN O=[N+]([O-])c1ccc(NCCc2ccccn2)c2ccncc21 ZINC000005689400 261359738 /nfs/dbraw/zinc/35/97/38/261359738.db2.gz JQOMSUSSEJPBAB-UHFFFAOYSA-N 0 0 294.314 3.193 50 5 CGBARN C[C@@H]1C[C@H]1c1ccc(Br)cc1[N+](=O)[O-] ZINC000020064305 279009138 /nfs/dbraw/zinc/00/91/38/279009138.db2.gz RUXYGSMSWHYDEH-HZGVNTEJSA-N 0 0 256.099 3.481 50 5 CGBARN CC(C)C[C@H]1CCCCN1c1ncccc1[N+](=O)[O-] ZINC000075110728 279207878 /nfs/dbraw/zinc/20/78/78/279207878.db2.gz DEJXKYNDBURZDU-GFCCVEGCSA-N 0 0 263.341 3.395 50 5 CGBARN C[C@]1(c2ccccc2)[C@@H]2ON=C(c3ccc([N+](=O)[O-])cc3)[C@@H]21 ZINC000000535999 280175392 /nfs/dbraw/zinc/17/53/92/280175392.db2.gz NNEFSNCOOGBWSC-USXIJHARSA-N 0 0 294.310 3.285 50 5 CGBARN Cc1cc(C(=O)N2c3ccccc3C[C@H]2C)ccc1[N+](=O)[O-] ZINC000002637458 280345953 /nfs/dbraw/zinc/34/59/53/280345953.db2.gz RVVIKUKXYVHJSA-GFCCVEGCSA-N 0 0 296.326 3.495 50 5 CGBARN Cc1cc(C(F)(F)F)nn1-c1ccc([N+](=O)[O-])cc1 ZINC000012396725 280379081 /nfs/dbraw/zinc/37/90/81/280379081.db2.gz RRVWOKUJDVDJHD-UHFFFAOYSA-N 0 0 271.198 3.108 50 5 CGBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccccc1 ZINC000000101711 281018986 /nfs/dbraw/zinc/01/89/86/281018986.db2.gz AITINBWGCGZTNE-UHFFFAOYSA-N 0 0 256.261 3.156 50 5 CGBARN CC(C)[C@@H](C)N(C)C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000095964730 185045338 /nfs/dbraw/zinc/04/53/38/185045338.db2.gz BCLGNZIACWFPAM-GFCCVEGCSA-N 0 0 278.352 3.030 50 5 CGBARN COC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)ccc1F ZINC000085210157 178973438 /nfs/dbraw/zinc/97/34/38/178973438.db2.gz XMGYKEZNKUHDRC-UHFFFAOYSA-N 0 0 275.235 3.188 50 5 CGBARN COC(=O)c1cccc(-c2ccc(F)c([N+](=O)[O-])c2)c1 ZINC000097756900 185661330 /nfs/dbraw/zinc/66/13/30/185661330.db2.gz STSQZFMPAHYPDA-UHFFFAOYSA-N 0 0 275.235 3.188 50 5 CGBARN Cc1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2Cl)cn1 ZINC000000225361 368319267 /nfs/dbraw/zinc/31/92/67/368319267.db2.gz MZIFANBYCOJZOE-UHFFFAOYSA-N 0 0 292.678 3.171 50 5 CGBARN O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccccc1 ZINC000000146715 368302459 /nfs/dbraw/zinc/30/24/59/368302459.db2.gz GTJRARGKGRCIBY-MDZDMXLPSA-N 0 0 268.272 3.247 50 5 CGBARN Cc1cccc(NC(=O)CC(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000000188905 368311475 /nfs/dbraw/zinc/31/14/75/368311475.db2.gz KZIZMWVMGLYWLK-UHFFFAOYSA-N 0 0 298.298 3.115 50 5 CGBARN Cc1occc1C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000000253615 368325593 /nfs/dbraw/zinc/32/55/93/368325593.db2.gz QAXUCUPHIUIIED-UHFFFAOYSA-N 0 0 260.249 3.057 50 5 CGBARN Cc1cccc(NC(=O)c2cccc([N+](=O)[O-])c2)c1C ZINC000000329781 368342221 /nfs/dbraw/zinc/34/22/21/368342221.db2.gz RVAMVTLZSAFRCP-UHFFFAOYSA-N 0 0 270.288 3.464 50 5 CGBARN CCCCn1c(=O)c2ccccc2c2ccccc2c1=O ZINC000002466980 368456006 /nfs/dbraw/zinc/45/60/06/368456006.db2.gz MFKKKXUEHHEZCH-UHFFFAOYSA-N 0 0 279.339 3.315 50 5 CGBARN O=[N+]([O-])c1ccc(Nc2cccc(F)c2)c2nonc21 ZINC000004362017 368544708 /nfs/dbraw/zinc/54/47/08/368544708.db2.gz RYXAMQTVUXZYLO-UHFFFAOYSA-N 0 0 274.211 3.014 50 5 CGBARN O=C(Nc1ccc2ncsc2c1)c1cccc([N+](=O)[O-])c1 ZINC000010217148 368578118 /nfs/dbraw/zinc/57/81/18/368578118.db2.gz YATFDROCYZXJLZ-UHFFFAOYSA-N 0 0 299.311 3.457 50 5 CGBARN CCCc1ccc(NC(=O)c2cc([N+](=O)[O-])c[nH]2)cc1 ZINC000012764559 368627129 /nfs/dbraw/zinc/62/71/29/368627129.db2.gz RZASCGNCUGCBEG-UHFFFAOYSA-N 0 0 273.292 3.128 50 5 CGBARN O=C(Nc1ccc(F)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000012859154 368630979 /nfs/dbraw/zinc/63/09/79/368630979.db2.gz OHSZLAWNPSPUCH-UHFFFAOYSA-N 0 0 278.214 3.125 50 5 CGBARN O=C(Cc1ccccc1[N+](=O)[O-])Nc1cc(F)cc(F)c1 ZINC000016305196 368711343 /nfs/dbraw/zinc/71/13/43/368711343.db2.gz XLOGABOVXZYNEQ-UHFFFAOYSA-N 0 0 292.241 3.054 50 5 CGBARN O=C(Nc1ccccc1O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000023054869 368815992 /nfs/dbraw/zinc/81/59/92/368815992.db2.gz KKQKRPREQKRZAP-UHFFFAOYSA-N 0 0 292.678 3.206 50 5 CGBARN O=c1oc2ccc([N+](=O)[O-])cc2n1C/C=C/c1ccccc1 ZINC000032778962 368945128 /nfs/dbraw/zinc/94/51/28/368945128.db2.gz GENKHPQOCSALFN-QPJJXVBHSA-N 0 0 296.282 3.216 50 5 CGBARN O=C(N[C@@H]1CCc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000016471660 284107768 /nfs/dbraw/zinc/10/77/68/284107768.db2.gz OMZVDYGWMSAVDI-OAHLLOKOSA-N 0 0 282.299 3.012 50 5 CGBARN Nc1c(Cl)cc(Br)c(Cl)c1[N+](=O)[O-] ZINC000071782764 369811763 /nfs/dbraw/zinc/81/17/63/369811763.db2.gz VVSWJHKHLZPWTR-UHFFFAOYSA-N 0 0 285.912 3.246 50 5 CGBARN Cc1cc(NCc2nccc3ccccc32)ncc1[N+](=O)[O-] ZINC000074738734 369887952 /nfs/dbraw/zinc/88/79/52/369887952.db2.gz WYBMGJGFALAJSB-UHFFFAOYSA-N 0 0 294.314 3.459 50 5 CGBARN CC(=O)Nc1cccc(NCc2ccccc2[N+](=O)[O-])c1C ZINC000075092039 369894402 /nfs/dbraw/zinc/89/44/02/369894402.db2.gz IQGFMJZOAJNTOW-UHFFFAOYSA-N 0 0 299.330 3.474 50 5 CGBARN O=[N+]([O-])c1ccc(Cl)c(OCc2cscn2)c1 ZINC000093307891 370116425 /nfs/dbraw/zinc/11/64/25/370116425.db2.gz UWIZQLJDEPLFJL-UHFFFAOYSA-N 0 0 270.697 3.284 50 5 CGBARN COc1cc(CNc2cccc(F)c2)c([N+](=O)[O-])cc1O ZINC000095428529 370191531 /nfs/dbraw/zinc/19/15/31/370191531.db2.gz OSXMUSGVIDKRBN-UHFFFAOYSA-N 0 0 292.266 3.060 50 5 CGBARN O=[N+]([O-])c1ccccc1CCNc1ncnc2ccccc21 ZINC000170642982 372646685 /nfs/dbraw/zinc/64/66/85/372646685.db2.gz KOVZLBAPWXWQFO-UHFFFAOYSA-N 0 0 294.314 3.193 50 5 CGBARN C[C@H](Nc1ncc([N+](=O)[O-])s1)[C@H]1COc2ccccc21 ZINC000192510496 375759147 /nfs/dbraw/zinc/75/91/47/375759147.db2.gz FIVMJVMRTJETKU-WCBMZHEXSA-N 0 0 291.332 3.028 50 5 CGBARN CC(C)Oc1cc(OC(F)(F)F)cc([N+](=O)[O-])c1 ZINC000261493744 190039579 /nfs/dbraw/zinc/03/95/79/190039579.db2.gz IKDFABSNYBRXCT-UHFFFAOYSA-N 0 0 265.187 3.281 50 5 CGBARN O=[N+]([O-])c1c(F)ccc(OCc2ccccc2)c1F ZINC000261493814 190039672 /nfs/dbraw/zinc/03/96/72/190039672.db2.gz JYVHFUULJKEMIC-UHFFFAOYSA-N 0 0 265.215 3.452 50 5 CGBARN O=[N+]([O-])c1cc(Br)c(OC(F)F)cc1F ZINC000263623226 190070027 /nfs/dbraw/zinc/07/00/27/190070027.db2.gz FSCPGXUORBQXFP-UHFFFAOYSA-N 0 0 286.003 3.098 50 5 CGBARN Cc1c(Br)cc([N+](=O)[O-])cc1OC(F)F ZINC000263624102 190070870 /nfs/dbraw/zinc/07/08/70/190070870.db2.gz NKCHNQLYMGYQGN-UHFFFAOYSA-N 0 0 282.040 3.267 50 5 CGBARN O=[N+]([O-])c1c(Br)cc(F)cc1OC(F)F ZINC000263625004 190071050 /nfs/dbraw/zinc/07/10/50/190071050.db2.gz VZHXCFHVRDMTJZ-UHFFFAOYSA-N 0 0 286.003 3.098 50 5 CGBARN O=C(NCCC1=CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000000291625 169598871 /nfs/dbraw/zinc/59/88/71/169598871.db2.gz JFRZRWQXBBUJEV-UHFFFAOYSA-N 0 0 274.320 3.215 50 5 CGBARN CC(=O)Oc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000000437689 169640581 /nfs/dbraw/zinc/64/05/81/169640581.db2.gz LYYLVDKBTQOJSW-UHFFFAOYSA-N 0 0 273.244 3.312 50 5 CGBARN C[C@H]1CCC[C@H](C)N1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000243446452 542320727 /nfs/dbraw/zinc/32/07/27/542320727.db2.gz NEWBSDNICUEEOF-QWRGUYRKSA-N 0 0 277.324 3.390 50 5 CGBARN O=[N+]([O-])c1ccc2c(c1)[nH]c(=S)n2-c1ccc(F)cc1 ZINC000003289657 285146061 /nfs/dbraw/zinc/14/60/61/285146061.db2.gz RAPULFCSUNZDDB-UHFFFAOYSA-N 0 0 289.291 3.362 50 5 CGBARN O=[N+]([O-])c1ccc2c(c1)Cc1cccc([N+](=O)[O-])c1-2 ZINC000001724406 285143795 /nfs/dbraw/zinc/14/37/95/285143795.db2.gz XHAHNUAISBGLEX-UHFFFAOYSA-N 0 0 256.217 3.074 50 5 CGBARN O=c1oc2ccccc2cc1-c1cccc([N+](=O)[O-])c1 ZINC000020533929 285229395 /nfs/dbraw/zinc/22/93/95/285229395.db2.gz UDUGOMBRXHHIBF-UHFFFAOYSA-N 0 0 267.240 3.368 50 5 CGBARN Cc1ccc(C(=O)N2C[C@H](C)C[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000000304725 292068823 /nfs/dbraw/zinc/06/88/23/292068823.db2.gz JLPQXRMIYNILFF-GHMZBOCLSA-N 0 0 276.336 3.021 50 5 CGBARN COc1ccccc1OCCOc1ccccc1[N+](=O)[O-] ZINC000002983905 169847226 /nfs/dbraw/zinc/84/72/26/169847226.db2.gz LQAPMVYRQKGVEK-UHFFFAOYSA-N 0 0 289.287 3.061 50 5 CGBARN Cc1ccc(Nc2ccc([N+](=O)[O-])c3nonc32)cc1 ZINC000003879017 169919122 /nfs/dbraw/zinc/91/91/22/169919122.db2.gz DYFVQEJIEXNEAE-UHFFFAOYSA-N 0 0 270.248 3.183 50 5 CGBARN O=[N+]([O-])c1ccc(-c2ccc(CO)o2)c(Br)c1 ZINC000004736814 170007512 /nfs/dbraw/zinc/00/75/12/170007512.db2.gz SUEOPLRHWBSCRE-UHFFFAOYSA-N 0 0 298.092 3.110 50 5 CGBARN O=C(Nc1ccccc1[N+](=O)[O-])[C@H]1C[C@@H]1c1ccccc1 ZINC000004948540 170044395 /nfs/dbraw/zinc/04/43/95/170044395.db2.gz GCNZKHJCESWJHX-OLZOCXBDSA-N 0 0 282.299 3.337 50 5 CGBARN CCOc1ccc(Nc2ncccc2[N+](=O)[O-])cc1OC ZINC000007187797 170270577 /nfs/dbraw/zinc/27/05/77/170270577.db2.gz YZCFLLWTJALILV-UHFFFAOYSA-N 0 0 289.291 3.141 50 5 CGBARN COc1cc(C(=O)Nc2cccc(C)c2)cc([N+](=O)[O-])c1 ZINC000008705128 170347989 /nfs/dbraw/zinc/34/79/89/170347989.db2.gz FSSZVPAGCGDOSV-UHFFFAOYSA-N 0 0 286.287 3.164 50 5 CGBARN Cc1ccc(CN(C)C(=O)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000010025306 170395927 /nfs/dbraw/zinc/39/59/27/170395927.db2.gz FHOJSMZMKGUPKQ-UHFFFAOYSA-N 0 0 298.342 3.104 50 5 CGBARN O=C(Cc1c[nH]c2ccccc12)Nc1ccc([N+](=O)[O-])cc1 ZINC000012767973 170508956 /nfs/dbraw/zinc/50/89/56/170508956.db2.gz TUWVOEAXXFGCJZ-UHFFFAOYSA-N 0 0 295.298 3.257 50 5 CGBARN Cc1noc(-c2ccc(NC3CCCC3)c([N+](=O)[O-])c2)n1 ZINC000020897940 171278662 /nfs/dbraw/zinc/27/86/62/171278662.db2.gz JLOROHCEFHBXRI-UHFFFAOYSA-N 0 0 288.307 3.308 50 5 CGBARN Cc1ccc([N+](=O)[O-])c(OCc2nc(C(C)(C)C)no2)c1 ZINC000030876446 171626070 /nfs/dbraw/zinc/62/60/70/171626070.db2.gz RXAUBAJCQITNQP-UHFFFAOYSA-N 0 0 291.307 3.163 50 5 CGBARN O=NN(Cc1ccccc1)c1ccc([N+](=O)[O-])cc1F ZINC000035326144 172127386 /nfs/dbraw/zinc/12/73/86/172127386.db2.gz ZGRUUWDCOGSLMG-UHFFFAOYSA-N 0 0 275.239 3.422 50 5 CGBARN O=[N+]([O-])c1ccc(CNc2ncnc3ccccc32)cc1 ZINC000037715787 173633892 /nfs/dbraw/zinc/63/38/92/173633892.db2.gz KGGZVZVJALMBMY-UHFFFAOYSA-N 0 0 280.287 3.150 50 5 CGBARN CCc1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000072331453 176370182 /nfs/dbraw/zinc/37/01/82/176370182.db2.gz OMFHVJCXYBLBBE-UHFFFAOYSA-N 0 0 284.315 3.087 50 5 CGBARN CCC[C@H]1[C@@H](C)CCCN1c1ccc([N+](=O)[O-])cn1 ZINC000084740586 416495594 /nfs/dbraw/zinc/49/55/94/416495594.db2.gz ZXGAJGQMXVHRTN-AAEUAGOBSA-N 0 0 263.341 3.395 50 5 CGBARN C[C@@H]1CN(C)[C@H](C)c2c3cccc([N+](=O)[O-])c3oc21 ZINC000035335355 274341103 /nfs/dbraw/zinc/34/11/03/274341103.db2.gz YEDYHJFVBBFGPZ-RKDXNWHRSA-N 0 0 260.293 3.451 50 5 CGBARN O=[N+]([O-])c1c(F)c(Br)ccc1Br ZINC000263624033 280353756 /nfs/dbraw/zinc/35/37/56/280353756.db2.gz MVRXBTHSLILSFX-UHFFFAOYSA-N 0 0 298.893 3.259 50 5 CGBARN Cc1cc(N2CCC(Cl)=C(Cl)C2)ncc1[N+](=O)[O-] ZINC000095467538 280543382 /nfs/dbraw/zinc/54/33/82/280543382.db2.gz FOHMGZQZWATLAL-UHFFFAOYSA-N 0 0 288.134 3.198 50 5 CGBARN O=[N+]([O-])c1cccnc1N1CCCC[C@H]1c1nccs1 ZINC000084357781 304810695 /nfs/dbraw/zinc/81/06/95/304810695.db2.gz SYNSVDNDPBUMMY-NSHDSACASA-N 0 0 290.348 3.178 50 5 CGBARN C[C@@H](c1nc(-c2ccncc2)no1)c1ccc([N+](=O)[O-])cc1 ZINC000000472297 640925357 /nfs/dbraw/zinc/92/53/57/640925357.db2.gz IVFAFOIDLVDMEU-SNVBAGLBSA-N 0 0 296.286 3.192 50 5 CGBARN O=[N+]([O-])c1cc(OCc2ccccc2)c(F)cc1F ZINC000060148804 345211576 /nfs/dbraw/zinc/21/15/76/345211576.db2.gz KLYRDPKOZGWJKC-UHFFFAOYSA-N 0 0 265.215 3.452 50 5 CGBARN Cc1cccc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC000000038992 368275993 /nfs/dbraw/zinc/27/59/93/368275993.db2.gz SQYAIQNKMWPDLW-UHFFFAOYSA-N 0 0 291.694 3.204 50 5 CGBARN Cc1ccc(C(=O)N[C@@H](C)c2ccccc2)cc1[N+](=O)[O-] ZINC000000240634 368323205 /nfs/dbraw/zinc/32/32/05/368323205.db2.gz BQJMBPICOUAQIW-LBPRGKRZSA-N 0 0 284.315 3.394 50 5 CGBARN O=[N+]([O-])c1cccc(-c2noc(-c3cccs3)n2)c1 ZINC000000150544 368303356 /nfs/dbraw/zinc/30/33/56/368303356.db2.gz SQURSOAJNRVVBR-UHFFFAOYSA-N 0 0 273.273 3.373 50 5 CGBARN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1O ZINC000000162722 368306296 /nfs/dbraw/zinc/30/62/96/368306296.db2.gz WIOATIZNIWMZNX-UHFFFAOYSA-N 0 0 292.678 3.206 50 5 CGBARN O=c1cc(-c2ccc([N+](=O)[O-])cc2)oc2ccccc12 ZINC000000161027 368306525 /nfs/dbraw/zinc/30/65/25/368306525.db2.gz CKSVYVHLZNMXLX-UHFFFAOYSA-N 0 0 267.240 3.368 50 5 in-vitro CGBARN COc1ccc(C(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000000456430 368371086 /nfs/dbraw/zinc/37/10/86/368371086.db2.gz FUOSMUNEKCEFLF-UHFFFAOYSA-N 0 0 271.272 3.143 50 5 CGBARN COc1ccc(C(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000000456036 368371203 /nfs/dbraw/zinc/37/12/03/368371203.db2.gz DVIBNPTXYNQBGH-UHFFFAOYSA-N 0 0 291.690 3.488 50 5 CGBARN Cc1ccc(F)cc1NC(=O)c1ccccc1[N+](=O)[O-] ZINC000000376315 368351922 /nfs/dbraw/zinc/35/19/22/368351922.db2.gz KVQFEJAUPZFIGJ-UHFFFAOYSA-N 0 0 274.251 3.295 50 5 CGBARN O=C(Nc1ccccc1F)c1cc(F)ccc1[N+](=O)[O-] ZINC000000381200 368353197 /nfs/dbraw/zinc/35/31/97/368353197.db2.gz XRRCRIFNFWQCLG-UHFFFAOYSA-N 0 0 278.214 3.125 50 5 CGBARN O=[N+]([O-])c1cccc(-c2noc(Cc3ccccc3)n2)c1 ZINC000000859494 368397839 /nfs/dbraw/zinc/39/78/39/368397839.db2.gz XOQBGWBFGYXOHF-UHFFFAOYSA-N 0 0 281.271 3.236 50 5 CGBARN CC(=O)Nc1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000000472273 368374230 /nfs/dbraw/zinc/37/42/30/368374230.db2.gz ANJPFFFWWNXZMT-UHFFFAOYSA-N 0 0 286.287 3.132 50 5 CGBARN Cc1ccnc(NC(=S)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000000610085 368390872 /nfs/dbraw/zinc/39/08/72/368390872.db2.gz IABWWPBZPYCLTL-UHFFFAOYSA-N 0 0 288.332 3.107 50 5 CGBARN Cc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)o1 ZINC000001055599 368401023 /nfs/dbraw/zinc/40/10/23/368401023.db2.gz HVVLWFPNPCEZOU-UHFFFAOYSA-N 0 0 260.249 3.057 50 5 CGBARN O=C(Nc1ccc(F)c([N+](=O)[O-])c1)Oc1ccccc1F ZINC000002172811 368449113 /nfs/dbraw/zinc/44/91/13/368449113.db2.gz VSYXVKSOANPMPK-UHFFFAOYSA-N 0 0 294.213 3.484 50 5 CGBARN Cc1ccc(C)c(OC(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000002833581 368481179 /nfs/dbraw/zinc/48/11/79/368481179.db2.gz UVCWYPUAGFGJCI-UHFFFAOYSA-N 0 0 271.272 3.431 50 5 CGBARN CCC(=O)Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000004031604 368527229 /nfs/dbraw/zinc/52/72/29/368527229.db2.gz JFIVGHPSHOYPAM-UHFFFAOYSA-N 0 0 277.305 3.067 50 5 CGBARN COc1ccc(Nc2ccc([N+](=O)[O-])cn2)cc1Cl ZINC000004091987 368530159 /nfs/dbraw/zinc/53/01/59/368530159.db2.gz LQZDTPZUQZXYKM-UHFFFAOYSA-N 0 0 279.683 3.395 50 5 CGBARN CC(=O)Nc1cc([N+](=O)[O-])ccc1Nc1ccccc1 ZINC000004253248 368539793 /nfs/dbraw/zinc/53/97/93/368539793.db2.gz AZDCPORBYZGYJE-UHFFFAOYSA-N 0 0 271.276 3.297 50 5 CGBARN Cc1[nH]nc(Nc2ccccc2Br)c1[N+](=O)[O-] ZINC000012284932 368606646 /nfs/dbraw/zinc/60/66/46/368606646.db2.gz LBXOEMMWQLBVJM-UHFFFAOYSA-N 0 0 297.112 3.132 50 5 CGBARN Cc1nc2ccccc2nc1COc1ccccc1[N+](=O)[O-] ZINC000012788997 368628079 /nfs/dbraw/zinc/62/80/79/368628079.db2.gz SYFSNZITWNJVIN-UHFFFAOYSA-N 0 0 295.298 3.425 50 5 CGBARN O=[N+]([O-])c1ccc([C@@H]2NCCCN2Cc2ccccc2)cc1 ZINC000019324402 368748251 /nfs/dbraw/zinc/74/82/51/368748251.db2.gz JSDHCEQSDXLMIB-QGZVFWFLSA-N 0 0 297.358 3.089 50 5 CGBARN Cc1ncsc1CCOc1cc(F)ccc1[N+](=O)[O-] ZINC000069701860 369767931 /nfs/dbraw/zinc/76/79/31/369767931.db2.gz QZWYIFQJEBEGDU-UHFFFAOYSA-N 0 0 282.296 3.120 50 5 CGBARN CC(C)n1cnnc1SCc1c(F)cccc1[N+](=O)[O-] ZINC000069773420 369770948 /nfs/dbraw/zinc/77/09/48/369770948.db2.gz OQMFIFYBVICEDV-UHFFFAOYSA-N 0 0 296.327 3.199 50 5 CGBARN Cc1c(NC(=O)OC(C)(C)C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000095093405 370175118 /nfs/dbraw/zinc/17/51/18/370175118.db2.gz YNDRBUAYGVFYTM-UHFFFAOYSA-N 0 0 297.267 3.158 50 5 CGBARN O=[N+]([O-])c1ccc(OC(F)(F)Cl)c(Cl)c1 ZINC000095215695 370177336 /nfs/dbraw/zinc/17/73/36/370177336.db2.gz ZCJUEZYNVAGCIM-UHFFFAOYSA-N 0 0 258.007 3.416 50 5 CGBARN O=C(NCc1ccsc1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000095394681 370182562 /nfs/dbraw/zinc/18/25/62/370182562.db2.gz JSICKLLUEPHQEC-UHFFFAOYSA-N 0 0 296.735 3.240 50 5 CGBARN COC(=O)c1ccc(-c2cc(F)cc([N+](=O)[O-])c2)cc1 ZINC000097757281 370252762 /nfs/dbraw/zinc/25/27/62/370252762.db2.gz XHAPJQYXBFOQGX-UHFFFAOYSA-N 0 0 275.235 3.188 50 5 CGBARN C[C@H](c1ncc(-c2ccccc2)o1)n1cc([N+](=O)[O-])cn1 ZINC000097048016 370219156 /nfs/dbraw/zinc/21/91/56/370219156.db2.gz GVVWDHOREBGQHL-SNVBAGLBSA-N 0 0 284.275 3.056 50 5 CGBARN O=[N+]([O-])c1ccccc1/C=C/C=C/c1ccncn1 ZINC000157280020 372013469 /nfs/dbraw/zinc/01/34/69/372013469.db2.gz LPJMVKJMCOMGQU-JGOQQPJWSA-N 0 0 253.261 3.111 50 5 CGBARN O=C(Nc1cccc2cccnc21)c1ccc([N+](=O)[O-])cc1 ZINC000000251004 284362952 /nfs/dbraw/zinc/36/29/52/284362952.db2.gz LPVJIMCDCKVFHO-UHFFFAOYSA-N 0 0 293.282 3.395 50 5 CGBARN O=C1C=C(c2ccccc2)O[C@H](c2ccc([N+](=O)[O-])cc2)O1 ZINC000000198512 169571815 /nfs/dbraw/zinc/57/18/15/169571815.db2.gz CHBLUVKTBZQHOW-INIZCTEOSA-N 0 0 297.266 3.208 50 5 CGBARN C[C@@H](NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000000438101 169640628 /nfs/dbraw/zinc/64/06/28/169640628.db2.gz VJDGIYDEJYVACD-CNELAYHGSA-N 0 0 296.326 3.485 50 5 CGBARN O=[N+]([O-])c1cc(-c2ccc(Cl)nn2)ccc1Cl ZINC000026420525 285081356 /nfs/dbraw/zinc/08/13/56/285081356.db2.gz LGVZSMPAKLBSQR-UHFFFAOYSA-N 0 0 270.075 3.359 50 5 CGBARN O=[N+]([O-])c1ccc(-c2nnc(-c3ccccc3)o2)cc1 ZINC000000347274 285105624 /nfs/dbraw/zinc/10/56/24/285105624.db2.gz CBJSXHPYQDUZOO-UHFFFAOYSA-N 0 0 267.244 3.312 50 5 CGBARN Cc1c(C(=O)N2CCCc3ccccc32)cccc1[N+](=O)[O-] ZINC000000063733 391905395 /nfs/dbraw/zinc/90/53/95/391905395.db2.gz GLDYMBRFMSTORH-UHFFFAOYSA-N 0 0 296.326 3.496 50 5 CGBARN CSC[C@H](C)N(C)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000096413369 392251275 /nfs/dbraw/zinc/25/12/75/392251275.db2.gz QFANPLVPDXUKER-JTQLQIEISA-N 0 0 297.380 3.118 50 5 CGBARN O=[N+]([O-])c1ccccc1-c1nnc2ccc3ccccc3n21 ZINC000000032827 296513557 /nfs/dbraw/zinc/51/35/57/296513557.db2.gz VAWNJYREKUDJBL-UHFFFAOYSA-N 0 0 290.282 3.458 50 5 CGBARN Cc1ccc(NC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)cc1[N+](=O)[O-] ZINC000239284733 397668766 /nfs/dbraw/zinc/66/87/66/397668766.db2.gz BYZAYPJHKXBYHG-IMRBUKKESA-N 0 0 274.320 3.278 50 5 CGBARN Cn1c2ccccc2nc1Sc1ccc([N+](=O)[O-])cn1 ZINC000002484180 169794434 /nfs/dbraw/zinc/79/44/34/169794434.db2.gz DPQJNAWSOYHMAT-UHFFFAOYSA-N 0 0 286.316 3.028 50 5 CGBARN CC(=O)c1ccc(Nc2ccc3nonc3c2[N+](=O)[O-])cc1 ZINC000003879043 169919108 /nfs/dbraw/zinc/91/91/08/169919108.db2.gz FPGJGQCKQCJWBV-UHFFFAOYSA-N 0 0 298.258 3.077 50 5 CGBARN COc1ccc(NC(=O)c2ccc(C)s2)c([N+](=O)[O-])c1 ZINC000004647111 169993082 /nfs/dbraw/zinc/99/30/82/169993082.db2.gz QNIDTUKHFQXXOD-UHFFFAOYSA-N 0 0 292.316 3.226 50 5 CGBARN O=C(CCNc1cccc([N+](=O)[O-])c1)c1cccs1 ZINC000004710285 170003594 /nfs/dbraw/zinc/00/35/94/170003594.db2.gz LECXGQWDIZYPGB-UHFFFAOYSA-N 0 0 276.317 3.341 50 5 CGBARN O=C(Nc1cc(F)ccc1F)c1cccc([N+](=O)[O-])c1 ZINC000004748122 170010831 /nfs/dbraw/zinc/01/08/31/170010831.db2.gz HKXHXCQSVRKXAC-UHFFFAOYSA-N 0 0 278.214 3.125 50 5 CGBARN COc1cccc(C(=O)Nc2c(C)cccc2[N+](=O)[O-])c1 ZINC000004795722 170018785 /nfs/dbraw/zinc/01/87/85/170018785.db2.gz FDYRWXFDKXLSMG-UHFFFAOYSA-N 0 0 286.287 3.164 50 5 CGBARN O=[N+]([O-])c1cn(Cc2ccc(Cl)cc2Cl)cn1 ZINC000004809676 170020384 /nfs/dbraw/zinc/02/03/84/170020384.db2.gz DYYMMAYNIXXDBZ-UHFFFAOYSA-N 0 0 272.091 3.146 50 5 CGBARN O=C(Nc1cc(F)cc(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000004814475 170022025 /nfs/dbraw/zinc/02/20/25/170022025.db2.gz BTABZSOAIHYGCT-UHFFFAOYSA-N 0 0 278.214 3.125 50 5 CGBARN Cc1occc1C(=O)Nc1ccc(C)cc1[N+](=O)[O-] ZINC000004905091 170039224 /nfs/dbraw/zinc/03/92/24/170039224.db2.gz NNHMDOZUTCEMRM-UHFFFAOYSA-N 0 0 260.249 3.057 50 5 CGBARN CNc1c([N+](=O)[O-])cnn1-c1ccc(Cl)cc1Cl ZINC000005209354 170076132 /nfs/dbraw/zinc/07/61/32/170076132.db2.gz KSTDUCRHJXSLPN-UHFFFAOYSA-N 0 0 287.106 3.129 50 5 CGBARN COC(=O)c1ccc(Oc2ccccc2[N+](=O)[O-])cc1 ZINC000005702656 170130954 /nfs/dbraw/zinc/13/09/54/170130954.db2.gz KRQZZFXYCIRVSB-UHFFFAOYSA-N 0 0 273.244 3.174 50 5 CGBARN O=[N+]([O-])c1ccc(CN2CCc3c4ccccc4[nH]c3C2)o1 ZINC000006667388 170224078 /nfs/dbraw/zinc/22/40/78/170224078.db2.gz PRIFTWHJDWLXRL-UHFFFAOYSA-N 0 0 297.314 3.227 50 5 CGBARN Cc1cc(C(=O)Oc2cccc([N+](=O)[O-])c2)c(C)s1 ZINC000006879362 170252377 /nfs/dbraw/zinc/25/23/77/170252377.db2.gz CROFTUUMHIZPBP-UHFFFAOYSA-N 0 0 277.301 3.492 50 5 CGBARN CCOc1ccc(Nc2ncccc2[N+](=O)[O-])cc1 ZINC000007185675 170270211 /nfs/dbraw/zinc/27/02/11/170270211.db2.gz BENDNAUJRCYTOM-UHFFFAOYSA-N 0 0 259.265 3.132 50 5 CGBARN Cc1ccc(OC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1 ZINC000007656940 170296031 /nfs/dbraw/zinc/29/60/31/170296031.db2.gz NPCNSABBUMBOLX-UHFFFAOYSA-N 0 0 271.272 3.431 50 5 CGBARN CC(C)Nc1nnc(Sc2ccccc2[N+](=O)[O-])s1 ZINC000009834999 170386584 /nfs/dbraw/zinc/38/65/84/170386584.db2.gz BSVGABMAUTWTCK-UHFFFAOYSA-N 0 0 296.377 3.418 50 5 CGBARN Cc1nc(Sc2ccccc2[N+](=O)[O-])oc1C ZINC000012771324 170509016 /nfs/dbraw/zinc/50/90/16/170509016.db2.gz ARDNHBVUPSJABO-UHFFFAOYSA-N 0 0 250.279 3.351 50 5 CGBARN Cc1cc(Cl)c(OC(=O)OC(C)C)c([N+](=O)[O-])c1 ZINC000025539341 171460294 /nfs/dbraw/zinc/46/02/94/171460294.db2.gz UASBYMYEXPYHEJ-UHFFFAOYSA-N 0 0 273.672 3.480 50 5 CGBARN CCc1ccc(NC(=O)c2ccoc2)cc1[N+](=O)[O-] ZINC000032796321 171751572 /nfs/dbraw/zinc/75/15/72/171751572.db2.gz PDSNDGTVBGXQHN-UHFFFAOYSA-N 0 0 260.249 3.003 50 5 CGBARN O=C(NC(C1CC1)C1CC1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000032900685 171758466 /nfs/dbraw/zinc/75/84/66/171758466.db2.gz RRXIJJHUXGFGGB-UHFFFAOYSA-N 0 0 294.738 3.167 50 5 CGBARN COC(=O)c1cc([N+](=O)[O-])cnc1/C=C/c1ccc(C)cc1 ZINC000040146059 174194483 /nfs/dbraw/zinc/19/44/83/174194483.db2.gz MJLVKVYUMSUCCC-BQYQJAHWSA-N 0 0 298.298 3.255 50 5 CGBARN O=[N+]([O-])c1ccnn1Cc1c(Cl)ccc2cccnc21 ZINC000048706005 175445137 /nfs/dbraw/zinc/44/51/37/175445137.db2.gz ZDJWMZQUAOPWGS-UHFFFAOYSA-N 0 0 288.694 3.041 50 5 CGBARN CC(C)(C)OC(=O)n1ccc2ccc([N+](=O)[O-])cc21 ZINC000077032283 177156038 /nfs/dbraw/zinc/15/60/38/177156038.db2.gz MQRWVUYQAKQBPO-UHFFFAOYSA-N 0 0 262.265 3.333 50 5 CGBARN COc1c(F)cc(Nc2ncccc2[N+](=O)[O-])cc1F ZINC000048374363 416450186 /nfs/dbraw/zinc/45/01/86/416450186.db2.gz MPLHHGQCDRYYJW-UHFFFAOYSA-N 0 0 281.218 3.020 50 5 CGBARN O=[N+]([O-])c1cc2c(-c3ccccc3)n[nH]c2c([N+](=O)[O-])c1 ZINC000003903100 275033853 /nfs/dbraw/zinc/03/38/53/275033853.db2.gz PFUCNMYKIVKBEV-UHFFFAOYSA-N 0 0 284.231 3.046 50 5 CGBARN CC(=O)c1cc([N+](=O)[O-])c(N2CCCCCC2)s1 ZINC000095465669 275502021 /nfs/dbraw/zinc/50/20/21/275502021.db2.gz ATJSNDHXGUKFFH-UHFFFAOYSA-N 0 0 268.338 3.239 50 5 CGBARN COc1cc2c(cc1[N+](=O)[O-])-c1ccc([N+](=O)[O-])cc1C2 ZINC000001713228 277856244 /nfs/dbraw/zinc/85/62/44/277856244.db2.gz QMYBHJHEBLPSTF-UHFFFAOYSA-N 0 0 286.243 3.083 50 5 CGBARN O=C(c1ccsc1)N1CCCc2c([N+](=O)[O-])cccc21 ZINC000095436664 280223472 /nfs/dbraw/zinc/22/34/72/280223472.db2.gz SWBQTTKKYWPRFD-UHFFFAOYSA-N 0 0 288.328 3.249 50 5 CGBARN O=[N+]([O-])c1cc(F)c(Br)c(Br)c1 ZINC000263624284 280359189 /nfs/dbraw/zinc/35/91/89/280359189.db2.gz OYUICYSYHARYGS-UHFFFAOYSA-N 0 0 298.893 3.259 50 5 CGBARN O=[N+]([O-])c1ccccc1CNc1ccc(F)c(F)c1 ZINC000000280370 327636730 /nfs/dbraw/zinc/63/67/30/327636730.db2.gz XOXJXSRGACWILF-UHFFFAOYSA-N 0 0 264.231 3.485 50 5 CGBARN O=[N+]([O-])c1ccc(/C=C/CNc2cccc(F)c2)o1 ZINC000002894139 618650626 /nfs/dbraw/zinc/65/06/26/618650626.db2.gz VCUIDBYSRPBCPN-GORDUTHDSA-N 0 0 262.240 3.452 50 5 CGBARN C[C@@H]1CC(C)(C)C[C@](Br)([N+](=O)[O-])C1 ZINC000958528866 640826906 /nfs/dbraw/zinc/82/69/06/640826906.db2.gz XEKBCHSLQYFJLS-VXNVDRBHSA-N 0 0 250.136 3.201 50 5 CGBARN C[C@@H]1C[C@@H](C)CN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000000288708 297225707 /nfs/dbraw/zinc/22/57/07/297225707.db2.gz SDCFKPZPGFJOSW-NXEZZACHSA-N 0 0 296.754 3.366 50 5 CGBARN C[C@H](c1nc(-c2ccccn2)no1)c1ccc([N+](=O)[O-])cc1 ZINC000000472228 344855110 /nfs/dbraw/zinc/85/51/10/344855110.db2.gz FSEIJKADQBGKJJ-JTQLQIEISA-N 0 0 296.286 3.192 50 5 CGBARN CC1(C)CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000072305910 345408769 /nfs/dbraw/zinc/40/87/69/345408769.db2.gz HTZSHQGVXQCORH-UHFFFAOYSA-N 0 0 283.715 3.264 50 5 CGBARN Cc1c(NC(=O)N[C@@H](C(F)F)C2CC2)cccc1[N+](=O)[O-] ZINC000585140760 346725403 /nfs/dbraw/zinc/72/54/03/346725403.db2.gz KMLUKHQTJBUNFH-LLVKDONJSA-N 0 0 299.277 3.068 50 5 CGBARN CCCOc1cc([N+](=O)[O-])c(OCC)cc1Cl ZINC000002581932 169813443 /nfs/dbraw/zinc/81/34/43/169813443.db2.gz CUEHWGDESBLWOS-UHFFFAOYSA-N 0 0 259.689 3.436 50 5 CGBARN Cc1nc(N[C@@H](C)c2nc3ccccc3[nH]2)ccc1[N+](=O)[O-] ZINC000301657768 201118430 /nfs/dbraw/zinc/11/84/30/201118430.db2.gz SNOSCDRQLXHRNV-JTQLQIEISA-N 0 0 297.318 3.348 50 5 CGBARN Cc1ccc(OC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000000038477 368274196 /nfs/dbraw/zinc/27/41/96/368274196.db2.gz SMNPQMRIWHLJOX-UHFFFAOYSA-N 0 0 257.245 3.122 50 5 CGBARN Cc1nn(C)c(Oc2c(C)cccc2Cl)c1[N+](=O)[O-] ZINC000000079551 368284485 /nfs/dbraw/zinc/28/44/85/368284485.db2.gz SWERPQGNCCWTCE-UHFFFAOYSA-N 0 0 281.699 3.391 50 5 CGBARN Cc1cccc2nc(-c3ccc([N+](=O)[O-])cc3)cn21 ZINC000000131243 368298546 /nfs/dbraw/zinc/29/85/46/368298546.db2.gz QCPPCNOPHZNGOP-UHFFFAOYSA-N 0 0 253.261 3.218 50 5 CGBARN Cc1cc(-c2nc3ccccc3c(=O)o2)ccc1[N+](=O)[O-] ZINC000000174764 368309396 /nfs/dbraw/zinc/30/93/96/368309396.db2.gz OARNIVGEQSKABL-UHFFFAOYSA-N 0 0 282.255 3.072 50 5 CGBARN Cn1c2ccccc2nc1-c1ccc([N+](=O)[O-])cc1 ZINC000000262105 368327267 /nfs/dbraw/zinc/32/72/67/368327267.db2.gz FIRXFJFJHQIIRB-UHFFFAOYSA-N 0 0 253.261 3.149 50 5 CGBARN O=C(Cc1ccccc1[N+](=O)[O-])N1CCCc2ccccc21 ZINC000000267619 368328255 /nfs/dbraw/zinc/32/82/55/368328255.db2.gz GAFKEQZKYMHYSP-UHFFFAOYSA-N 0 0 296.326 3.117 50 5 CGBARN O=[N+]([O-])c1ccc(-c2noc(Cc3ccccc3)n2)cc1 ZINC000000858900 368395811 /nfs/dbraw/zinc/39/58/11/368395811.db2.gz PZONGMVJXXWXIB-UHFFFAOYSA-N 0 0 281.271 3.236 50 5 CGBARN Cn1c2ccccc2nc1-c1ccccc1[N+](=O)[O-] ZINC000000535496 368384856 /nfs/dbraw/zinc/38/48/56/368384856.db2.gz IGGILZIEELKLJU-UHFFFAOYSA-N 0 0 253.261 3.149 50 5 CGBARN Cc1ccc(C(=O)OCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000001434132 368414624 /nfs/dbraw/zinc/41/46/24/368414624.db2.gz XCFUGJDEVQHPPY-UHFFFAOYSA-N 0 0 271.272 3.260 50 5 CGBARN O=[N+]([O-])c1c(Oc2ccccc2)nc2sccn21 ZINC000001395919 368410268 /nfs/dbraw/zinc/41/02/68/368410268.db2.gz AZZMGAIWMXPUHS-UHFFFAOYSA-N 0 0 261.262 3.096 50 5 CGBARN Cc1ccc(NC(=O)N2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000002034302 368444160 /nfs/dbraw/zinc/44/41/60/368444160.db2.gz WCBANESKAVBDIP-LLVKDONJSA-N 0 0 277.324 3.310 50 5 CGBARN O=C(NSc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000002156398 368447027 /nfs/dbraw/zinc/44/70/27/368447027.db2.gz ASCNTIAJJRMXMW-UHFFFAOYSA-N 0 0 274.301 3.032 50 5 CGBARN O=C(Nc1cccc([N+](=O)[O-])c1)Nc1ccccc1F ZINC000001738364 368436732 /nfs/dbraw/zinc/43/67/32/368436732.db2.gz XFORTLYKNWQETF-UHFFFAOYSA-N 0 0 275.239 3.378 50 5 CGBARN CCOC(=O)CCCCCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000002580311 368468140 /nfs/dbraw/zinc/46/81/40/368468140.db2.gz YONPKNDMBHHTFU-UHFFFAOYSA-N 0 0 293.319 3.291 50 5 CGBARN Cc1cccc(OC(=O)c2ccccc2[N+](=O)[O-])c1C ZINC000002860021 368481499 /nfs/dbraw/zinc/48/14/99/368481499.db2.gz VSIFHYHVZPWNEG-UHFFFAOYSA-N 0 0 271.272 3.431 50 5 CGBARN O=C(COc1ccc([N+](=O)[O-])cc1)c1c[nH]c2ccccc21 ZINC000003564376 368513940 /nfs/dbraw/zinc/51/39/40/368513940.db2.gz WWCYCGAEFQIMSU-UHFFFAOYSA-N 0 0 296.282 3.338 50 5 CGBARN CC(C)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000003812944 368519732 /nfs/dbraw/zinc/51/97/32/368519732.db2.gz MKXKFYHWDHIYRV-UHFFFAOYSA-N 0 0 276.214 3.208 50 5 fda CGBARN CCCOc1cc([N+](=O)[O-])c([N+](=O)[O-])cc1OCCC ZINC000003882232 368522105 /nfs/dbraw/zinc/52/21/05/368522105.db2.gz UJDGWRRYNYHJJD-UHFFFAOYSA-N 0 0 284.268 3.081 50 5 CGBARN Cc1nc2cc(NC(=O)c3ccc([N+](=O)[O-])cc3)ccc2[nH]1 ZINC000013140504 368645262 /nfs/dbraw/zinc/64/52/62/368645262.db2.gz PSTARAUKNNWSCH-UHFFFAOYSA-N 0 0 296.286 3.032 50 5 CGBARN Cc1ccc(Nc2ncc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)c1 ZINC000015828382 368703193 /nfs/dbraw/zinc/70/31/93/368703193.db2.gz JXFCVJMCEOXJOI-UHFFFAOYSA-N 0 0 288.263 3.258 50 5 CGBARN Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC[C@H](C)C1 ZINC000017007749 368725337 /nfs/dbraw/zinc/72/53/37/368725337.db2.gz IEZDVGLYVOGOKS-JTQLQIEISA-N 0 0 277.324 3.167 50 5 CGBARN O=[N+]([O-])c1cc(Br)ccc1C(F)(F)F ZINC000021304456 368810765 /nfs/dbraw/zinc/81/07/65/368810765.db2.gz WPDWGHAFCXNYDI-UHFFFAOYSA-N 0 0 270.004 3.376 50 5 CGBARN Cc1ccc(Nc2ncc([N+](=O)[O-])c(NC3CC3)n2)cc1 ZINC000032777853 368944066 /nfs/dbraw/zinc/94/40/66/368944066.db2.gz CXZYXBHHOCIFEM-UHFFFAOYSA-N 0 0 285.307 3.011 50 5 CGBARN C[C@@H](OC(=O)c1ccncc1F)c1ccc([N+](=O)[O-])cc1 ZINC000074719008 369886883 /nfs/dbraw/zinc/88/68/83/369886883.db2.gz OKLPGLSMJCHFTE-SECBINFHSA-N 0 0 290.250 3.047 50 5 CGBARN CC[C@H](Nc1ccc([N+](=O)[O-])c(C)n1)c1cnn(CC)c1 ZINC000095414962 370185560 /nfs/dbraw/zinc/18/55/60/370185560.db2.gz AUAPWTXMCHRASI-LBPRGKRZSA-N 0 0 289.339 3.078 50 5 CGBARN CCCn1cc(N[C@H](C)c2cccc([N+](=O)[O-])c2)cn1 ZINC000097037988 370215939 /nfs/dbraw/zinc/21/59/39/370215939.db2.gz ZQAJWEFOYLUKRV-LLVKDONJSA-N 0 0 274.324 3.374 50 5 CGBARN Cc1nc(COc2ccc(C)c([N+](=O)[O-])c2)oc1C ZINC000095438581 370194425 /nfs/dbraw/zinc/19/44/25/370194425.db2.gz BYGJDMMYVCPPMN-UHFFFAOYSA-N 0 0 262.265 3.087 50 5 CGBARN Cc1cnc(Cl)nc1Nc1cccc([N+](=O)[O-])c1 ZINC000113447488 370474484 /nfs/dbraw/zinc/47/44/84/370474484.db2.gz LGDZHLUWVLZOKL-UHFFFAOYSA-N 0 0 264.672 3.090 50 5 CGBARN CC(=O)c1ccc(Sc2ccccn2)c([N+](=O)[O-])c1 ZINC000002491610 541848289 /nfs/dbraw/zinc/84/82/89/541848289.db2.gz FCOYEURPIOTRFX-UHFFFAOYSA-N 0 0 274.301 3.344 50 5 CGBARN CC(C)CC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000152199524 371681840 /nfs/dbraw/zinc/68/18/40/371681840.db2.gz COASKYTTWRLANW-UHFFFAOYSA-N 0 0 276.336 3.132 50 5 CGBARN O=[N+]([O-])c1cc(OC(F)F)cc(F)c1Br ZINC000263624828 190070861 /nfs/dbraw/zinc/07/08/61/190070861.db2.gz UNRUHPKTIGPUIX-UHFFFAOYSA-N 0 0 286.003 3.098 50 5 CGBARN CCc1nc(CCNc2ncc([N+](=O)[O-])s2)sc1C ZINC000240902750 376776800 /nfs/dbraw/zinc/77/68/00/376776800.db2.gz IVBZMTJSYUUAPN-UHFFFAOYSA-N 0 0 298.393 3.033 50 5 CGBARN Cc1[nH]c2ccccc2c1[C@@H](C[N+](=O)[O-])c1ccco1 ZINC000000239469 169583379 /nfs/dbraw/zinc/58/33/79/169583379.db2.gz CFGJVNORMJDLID-LBPRGKRZSA-N 0 0 270.288 3.478 50 5 CGBARN O=C(Nc1cccc(O)c1)c1ccc([N+](=O)[O-])cc1Cl ZINC000000231393 169581454 /nfs/dbraw/zinc/58/14/54/169581454.db2.gz KURUPIRIIPAQRJ-UHFFFAOYSA-N 0 0 292.678 3.206 50 5 CGBARN O=[N+]([O-])c1ccc2c(c1)N[C@@H]1c3cc([N+](=O)[O-])ccc3C[C@@H]21 ZINC000005799548 285144053 /nfs/dbraw/zinc/14/40/53/285144053.db2.gz CSBPWFAEXFRRRG-DZGCQCFKSA-N 0 0 297.270 3.310 50 5 CGBARN O=[N+]([O-])c1ccc2nc(-c3ccccc3)cnc2c1 ZINC000000331444 285147967 /nfs/dbraw/zinc/14/79/67/285147967.db2.gz NVCVIJFCPOXHQI-UHFFFAOYSA-N 0 0 251.245 3.205 50 5 CGBARN O=C1NC(=S)SC1=CC=Cc1ccccc1[N+](=O)[O-] ZINC000002536900 285159338 /nfs/dbraw/zinc/15/93/38/285159338.db2.gz YJHOWNVOZSVMOV-RVAGFXNCSA-N 0 0 292.341 3.480 50 5 CGBARN Cc1ccc(-c2nc3ccccc3c(=O)o2)cc1[N+](=O)[O-] ZINC000000175578 391907454 /nfs/dbraw/zinc/90/74/54/391907454.db2.gz HPHFPUNOXDNDBD-UHFFFAOYSA-N 0 0 282.255 3.072 50 5 CGBARN Cc1cc(C(=O)N2c3ccccc3C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000002637459 391915259 /nfs/dbraw/zinc/91/52/59/391915259.db2.gz RVVIKUKXYVHJSA-LBPRGKRZSA-N 0 0 296.326 3.495 50 5 CGBARN CC(C)CN1C(=O)c2cccc3c([N+](=O)[O-])ccc(c32)C1=O ZINC000004823672 391921018 /nfs/dbraw/zinc/92/10/18/391921018.db2.gz JQBXQTMUSDBUKI-UHFFFAOYSA-N 0 0 298.298 3.000 50 5 CGBARN O=[N+]([O-])c1ccc(NCc2ccco2)cc1OC(F)F ZINC000096429081 392253818 /nfs/dbraw/zinc/25/38/18/392253818.db2.gz QZYOJBZCSSCYDN-UHFFFAOYSA-N 0 0 284.218 3.401 50 5 CGBARN O=[N+]([O-])c1cc(Br)c(Cl)cc1F ZINC000034201893 296497354 /nfs/dbraw/zinc/49/73/54/296497354.db2.gz YVDJBLFLBBBGMD-UHFFFAOYSA-N 0 0 254.442 3.150 50 5 CGBARN O=[N+]([O-])c1ccc(N2CCC[C@@H]2c2cccs2)nc1 ZINC000025370587 296506639 /nfs/dbraw/zinc/50/66/39/296506639.db2.gz PSEQIJZJFXYAGH-LLVKDONJSA-N 0 0 275.333 3.393 50 5 CGBARN O=[N+]([O-])c1cccc(COc2ncnc3sccc32)c1 ZINC000003443735 169888484 /nfs/dbraw/zinc/88/84/84/169888484.db2.gz BKIPLALWWJRVIR-UHFFFAOYSA-N 0 0 287.300 3.179 50 5 CGBARN O=C(/C=C/c1cccc(F)c1)Nc1ccccc1[N+](=O)[O-] ZINC000004542913 169981490 /nfs/dbraw/zinc/98/14/90/169981490.db2.gz IIXBJAAZYJHMCS-CMDGGOBGSA-N 0 0 286.262 3.386 50 5 CGBARN C[C@@H]1CCCN(Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000004988593 170049422 /nfs/dbraw/zinc/04/94/22/170049422.db2.gz XRSWHNYXGSHRDF-SNVBAGLBSA-N 0 0 268.744 3.480 50 5 CGBARN COc1ccc(/C=C/C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000004997371 170052333 /nfs/dbraw/zinc/05/23/33/170052333.db2.gz ZOFMPEPWWRZOGC-NYYWCZLTSA-N 0 0 298.298 3.255 50 5 CGBARN COc1ccccc1NC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000006407929 170199245 /nfs/dbraw/zinc/19/92/45/170199245.db2.gz SEHBBZWCARMWMG-UHFFFAOYSA-N 0 0 287.275 3.247 50 5 CGBARN O=[N+]([O-])c1cccc(NC(=S)N2CCc3ccccc32)c1 ZINC000007098143 170267215 /nfs/dbraw/zinc/26/72/15/170267215.db2.gz SBIZQOZXGANICG-UHFFFAOYSA-N 0 0 299.355 3.354 50 5 CGBARN CCCCC[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000007781203 170302272 /nfs/dbraw/zinc/30/22/72/170302272.db2.gz YLKDIBMSPSTOJG-SECBINFHSA-N 0 0 270.354 3.355 50 5 CGBARN O=[N+]([O-])c1ccccc1Nc1ccc2n[nH]cc2c1 ZINC000007900737 170306742 /nfs/dbraw/zinc/30/67/42/170306742.db2.gz PYHPXMXSNJKYSG-UHFFFAOYSA-N 0 0 254.249 3.215 50 5 CGBARN Cc1ccc(F)cc1NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000008079208 170318043 /nfs/dbraw/zinc/31/80/43/170318043.db2.gz HJIKULJZCBRXHH-UHFFFAOYSA-N 0 0 288.278 3.224 50 5 CGBARN C[C@@H](Nc1nc2sccn2c1[N+](=O)[O-])c1ccco1 ZINC000008374707 170333734 /nfs/dbraw/zinc/33/37/34/170333734.db2.gz KXBSNXUHNSRTPT-SSDOTTSWSA-N 0 0 278.293 3.070 50 5 CGBARN Cc1ccsc1/C=C/c1onc(C)c1[N+](=O)[O-] ZINC000009295469 170370720 /nfs/dbraw/zinc/37/07/20/170370720.db2.gz JCMYWAGOGPOSKN-ONEGZZNKSA-N 0 0 250.279 3.432 50 5 CGBARN O=C(Oc1cccc([N+](=O)[O-])c1)[C@@H]1C[C@@H]1c1ccccc1 ZINC000022016078 171349759 /nfs/dbraw/zinc/34/97/59/171349759.db2.gz FFVUCQIKJLGTJL-HUUCEWRRSA-N 0 0 283.283 3.304 50 5 CGBARN Nc1c2cc([N+](=O)[O-])ccc2oc1C(=O)c1ccccc1 ZINC000004557463 274964252 /nfs/dbraw/zinc/96/42/52/274964252.db2.gz WFHQUIDYYGWVLY-UHFFFAOYSA-N 0 0 282.255 3.154 50 5 CGBARN O=Cc1cn(-c2ccc([N+](=O)[O-])cc2)nc1-c1ccccc1 ZINC000002529525 275031577 /nfs/dbraw/zinc/03/15/77/275031577.db2.gz WIUYZJHSJSZAQZ-UHFFFAOYSA-N 0 0 293.282 3.260 50 5 CGBARN CC(=O)Nc1ccc2cc3ccc(NC(C)=O)cc3nc2c1 ZINC000004365786 277084337 /nfs/dbraw/zinc/08/43/37/277084337.db2.gz IPBVFYCAVIISQF-UHFFFAOYSA-N 0 0 293.326 3.305 50 5 CGBARN O=C(c1cccc([N+](=O)[O-])c1)N1CCCc2ccccc21 ZINC000000103298 280209517 /nfs/dbraw/zinc/20/95/17/280209517.db2.gz JEFAEVLMNMGRDL-UHFFFAOYSA-N 0 0 282.299 3.188 50 5 CGBARN Cc1c([N+](=O)[O-])c(C)c([N+](=O)[O-])c(C(C)(C)C)c1[N+](=O)[O-] ZINC000040454343 280257689 /nfs/dbraw/zinc/25/76/89/280257689.db2.gz XMWRWTSZNLOZFN-UHFFFAOYSA-N 0 0 297.267 3.326 50 5 in-vitro CGBARN O=[N+]([O-])c1ccc(C(F)(F)F)cc1Br ZINC000016158966 280363057 /nfs/dbraw/zinc/36/30/57/280363057.db2.gz DJOLBPUSSIOMKU-UHFFFAOYSA-N 0 0 270.004 3.376 50 5 CGBARN O=c1oc2ccc3ccccc3c2c(=O)c2ccccc21 ZINC000000309339 280396988 /nfs/dbraw/zinc/39/69/88/280396988.db2.gz XSXTYFZISFXKNX-UHFFFAOYSA-N 0 0 274.275 3.460 50 5 CGBARN O=C(Nc1c(F)cccc1F)c1cccc([N+](=O)[O-])c1 ZINC000000610562 326792615 /nfs/dbraw/zinc/79/26/15/326792615.db2.gz SZWNCUQLUNZHLN-UHFFFAOYSA-N 0 0 278.214 3.125 50 5 CGBARN O=[N+]([O-])c1ccc(Sc2ncco2)c2ccncc21 ZINC000390835398 328973700 /nfs/dbraw/zinc/97/37/00/328973700.db2.gz MOJHIEBDAYTMIJ-UHFFFAOYSA-N 0 0 273.273 3.282 50 5 CGBARN O=C(Nc1ccccc1[N+](=O)[O-])N1CCCCCC1 ZINC000012601443 534406289 /nfs/dbraw/zinc/40/62/89/534406289.db2.gz WJZZTRVDXSCGDB-UHFFFAOYSA-N 0 0 263.297 3.003 50 5 CGBARN O=C1CCc2ccc(NCc3ccccc3[N+](=O)[O-])cc2N1 ZINC000084505921 566883504 /nfs/dbraw/zinc/88/35/04/566883504.db2.gz VTQDIADVIJXGHO-UHFFFAOYSA-N 0 0 297.314 3.092 50 5 CGBARN CC(=O)c1cc([N+](=O)[O-])c(Sc2ccncc2)s1 ZINC000161300321 570407677 /nfs/dbraw/zinc/40/76/77/570407677.db2.gz LDPHDARJWVIKRM-UHFFFAOYSA-N 0 0 280.330 3.405 50 5 CGBARN Cc1cccc(NC(=O)/C=C\c2ccc([N+](=O)[O-])o2)c1 ZINC000097998606 618218636 /nfs/dbraw/zinc/21/86/36/618218636.db2.gz IMEPSZJZZXPAHQ-ALCCZGGFSA-N 0 0 272.260 3.148 50 5 CGBARN O=C(Nc1ccccc1)N(O)c1cccc([N+](=O)[O-])c1 ZINC000000365850 620304363 /nfs/dbraw/zinc/30/43/63/620304363.db2.gz DOUMFFRJYVGADS-UHFFFAOYSA-N 0 0 273.248 3.023 50 5 CGBARN COc1cccc(/C=C/c2ccc([N+](=O)[O-])cn2)c1OC ZINC000096460609 230377789 /nfs/dbraw/zinc/37/77/89/230377789.db2.gz DBBYZNSERRMIHM-VOTSOKGWSA-N 0 0 286.287 3.177 50 5 CGBARN Cc1cccc(Oc2ncc(Cl)cn2)c1[N+](=O)[O-] ZINC000095974615 185050268 /nfs/dbraw/zinc/05/02/68/185050268.db2.gz QSXZPBRIOGEKBE-UHFFFAOYSA-N 0 0 265.656 3.139 50 5 CGBARN CCc1ccc(C=C2SC(=S)NC2=O)cc1[N+](=O)[O-] ZINC000096662794 185108997 /nfs/dbraw/zinc/10/89/97/185108997.db2.gz APQRZCDFNZPSNJ-UXBLZVDNSA-N 0 0 294.357 3.486 50 5 CGBARN CCc1ccccc1NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000004078614 529600497 /nfs/dbraw/zinc/60/04/97/529600497.db2.gz WVFFTWMQRQELFR-UHFFFAOYSA-N 0 0 276.317 3.471 50 5 CGBARN CCCc1nnc(NCc2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000097085390 185526500 /nfs/dbraw/zinc/52/65/00/185526500.db2.gz FRQGSVWYOPZFBK-UHFFFAOYSA-N 0 0 296.714 3.196 50 5 CGBARN O=[N+]([O-])c1ccc(N2CCC[C@@H]2c2cc[nH]n2)c(Cl)c1 ZINC000170616232 188677471 /nfs/dbraw/zinc/67/74/71/188677471.db2.gz NJEVBXCGKQGBCB-CYBMUJFWSA-N 0 0 292.726 3.313 50 5 CGBARN Cc1c(C(=O)N2CCc3ccccc32)cccc1[N+](=O)[O-] ZINC000000038984 368274330 /nfs/dbraw/zinc/27/43/30/368274330.db2.gz PIOVCYVJROBMMF-UHFFFAOYSA-N 0 0 282.299 3.106 50 5 CGBARN CCOC(=O)Oc1ccc2c(c1)oc(=O)c1ccccc21 ZINC000000042245 368275763 /nfs/dbraw/zinc/27/57/63/368275763.db2.gz VCOOUMOKIVCIGI-UHFFFAOYSA-N 0 0 284.267 3.482 50 5 CGBARN C[C@H](CCc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000000453752 368369492 /nfs/dbraw/zinc/36/94/92/368369492.db2.gz UDDNRXADOCPSEH-CYBMUJFWSA-N 0 0 298.342 3.346 50 5 CGBARN CCC(CC)NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000455672 368370319 /nfs/dbraw/zinc/37/03/19/368370319.db2.gz UZUGBLCKAIKTNP-UHFFFAOYSA-N 0 0 270.716 3.167 50 5 CGBARN Cc1cc(C(=O)N(C)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000000284820 368333262 /nfs/dbraw/zinc/33/32/62/368333262.db2.gz OHQMTGKDBIYVBT-UHFFFAOYSA-N 0 0 284.315 3.175 50 5 CGBARN O=C(OCc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000000467116 368373331 /nfs/dbraw/zinc/37/33/31/368373331.db2.gz BGAKFBFZKJSLNE-UHFFFAOYSA-N 0 0 275.235 3.091 50 5 CGBARN Cc1c(NC(=O)c2cccc(F)c2)cccc1[N+](=O)[O-] ZINC000000859801 368397513 /nfs/dbraw/zinc/39/75/13/368397513.db2.gz OSNYMDQXTJDIBW-UHFFFAOYSA-N 0 0 274.251 3.295 50 5 CGBARN O=C(Nc1cc([N+](=O)[O-])ccc1F)c1ccc(F)cc1 ZINC000000485326 368378221 /nfs/dbraw/zinc/37/82/21/368378221.db2.gz DIKKAHTWGDQKDM-UHFFFAOYSA-N 0 0 278.214 3.125 50 5 CGBARN O=[N+]([O-])c1ccc(Cn2cc(CO)c3ccccc32)cc1 ZINC000000561090 368387785 /nfs/dbraw/zinc/38/77/85/368387785.db2.gz GOYGEBMOLYKBOU-UHFFFAOYSA-N 0 0 282.299 3.090 50 5 CGBARN COc1ccc([N+](=O)[O-])cc1NC(=O)c1csc(C)c1 ZINC000001055537 368401959 /nfs/dbraw/zinc/40/19/59/368401959.db2.gz JTDJXRKPMYTNEK-UHFFFAOYSA-N 0 0 292.316 3.226 50 5 CGBARN C[C@@H]1C[C@@H](C)CN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000001132706 368403102 /nfs/dbraw/zinc/40/31/02/368403102.db2.gz VFIFRHCLZDRSDO-WUOSCTTQSA-N 0 0 288.347 3.113 50 5 CGBARN Cc1ccc(C=C2SC(=S)NC2=O)cc1[N+](=O)[O-] ZINC000001194183 368404594 /nfs/dbraw/zinc/40/45/94/368404594.db2.gz UFBUMHCTBSUKDL-WEVVVXLNSA-N 0 0 280.330 3.232 50 5 CGBARN O=C1NC(=S)SC1=CC=Cc1cccc([N+](=O)[O-])c1 ZINC000001194057 368405297 /nfs/dbraw/zinc/40/52/97/368405297.db2.gz YARIHJDGSKPHDV-QKZJIALXSA-N 0 0 292.341 3.480 50 5 CGBARN CCCCCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000002064353 368445540 /nfs/dbraw/zinc/44/55/40/368445540.db2.gz UOTSDYNDTWVYLZ-UHFFFAOYSA-N 0 0 254.261 3.253 50 5 CGBARN COc1cc(COc2cccc([N+](=O)[O-])c2)cc(OC)c1 ZINC000003051755 368489268 /nfs/dbraw/zinc/48/92/68/368489268.db2.gz SLGWUXBAYWWPHA-UHFFFAOYSA-N 0 0 289.287 3.191 50 5 CGBARN O=[N+]([O-])c1ccc(NC(=S)NCc2cccs2)cc1 ZINC000004608306 368553006 /nfs/dbraw/zinc/55/30/06/368553006.db2.gz SNPDSUSOBIPZHY-UHFFFAOYSA-N 0 0 293.373 3.143 50 5 CGBARN Cc1ccccc1CNC(=O)c1cccc([N+](=O)[O-])c1C ZINC000004310081 368542388 /nfs/dbraw/zinc/54/23/88/368542388.db2.gz DTUMVTSZCXZKMJ-UHFFFAOYSA-N 0 0 284.315 3.142 50 5 CGBARN Cn1c2ccc([N+](=O)[O-])cc2nc1-c1ccccc1 ZINC000006565527 368567956 /nfs/dbraw/zinc/56/79/56/368567956.db2.gz QQKMJGBVCFRVGY-UHFFFAOYSA-N 0 0 253.261 3.149 50 5 CGBARN Cc1[nH]nc(Nc2cccc(Cl)c2)c1[N+](=O)[O-] ZINC000012284934 368606664 /nfs/dbraw/zinc/60/66/64/368606664.db2.gz FLYMRXZFLYMXQC-UHFFFAOYSA-N 0 0 252.661 3.023 50 5 CGBARN Cc1cccc(NC(=O)Cc2ccccc2[N+](=O)[O-])c1C ZINC000012756360 368625018 /nfs/dbraw/zinc/62/50/18/368625018.db2.gz ORTXNMYLCONQTL-UHFFFAOYSA-N 0 0 284.315 3.393 50 5 CGBARN O=[N+]([O-])c1ccc(NC2C3CC4CC(C3)CC2C4)nc1 ZINC000018247493 368742728 /nfs/dbraw/zinc/74/27/28/368742728.db2.gz QBPNARXLBSHPJG-UHFFFAOYSA-N 0 0 273.336 3.226 50 5 CGBARN COC(=O)c1cc([N+](=O)[O-])ccc1NC1CCCCC1 ZINC000029219293 368893194 /nfs/dbraw/zinc/89/31/94/368893194.db2.gz NHNFUZCKCYJLCS-UHFFFAOYSA-N 0 0 278.308 3.126 50 5 CGBARN O=[N+]([O-])c1ccccc1NCCNc1nc2ccccc2o1 ZINC000026082502 368854411 /nfs/dbraw/zinc/85/44/11/368854411.db2.gz JMQCUIJNPXTNAF-UHFFFAOYSA-N 0 0 298.302 3.260 50 5 CGBARN CC(=O)c1cccc(Oc2nc3ccccn3c2[N+](=O)[O-])c1 ZINC000032806246 368946046 /nfs/dbraw/zinc/94/60/46/368946046.db2.gz XNUSBEAOWNTXTP-UHFFFAOYSA-N 0 0 297.270 3.237 50 5 CGBARN C[C@H](c1cccs1)N(C)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000032841956 368948439 /nfs/dbraw/zinc/94/84/39/368948439.db2.gz ICKNKBJDVHSRBB-SNVBAGLBSA-N 0 0 290.344 3.490 50 5 CGBARN CCOc1cccc(N(C)Cc2nccs2)c1[N+](=O)[O-] ZINC000097108544 370226034 /nfs/dbraw/zinc/22/60/34/370226034.db2.gz RPQDBEFANVPHQO-UHFFFAOYSA-N 0 0 293.348 3.086 50 5 CGBARN CC(C)(C)C(=O)Cc1nc2cc([N+](=O)[O-])ccc2[nH]c1=O ZINC000101720002 370295008 /nfs/dbraw/zinc/29/50/08/370295008.db2.gz SVEHRYHQFKJSIY-GHXNOFRVSA-N 0 0 289.291 3.189 50 5 CGBARN Cc1occc1C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000186310021 374829925 /nfs/dbraw/zinc/82/99/25/374829925.db2.gz YODCBZQMKGRGBM-UHFFFAOYSA-N 0 0 294.694 3.080 50 5 CGBARN C[C@H]1CCCN(c2ccc([N+](=O)[O-])c(NC3CC3)c2)C1 ZINC000221531444 376217714 /nfs/dbraw/zinc/21/77/14/376217714.db2.gz PRHFKMBJWHEOMJ-NSHDSACASA-N 0 0 275.352 3.405 50 5 CGBARN CCOC(=O)c1ccc([N+](=O)[O-])c(Cl)c1Cl ZINC000263625321 190070833 /nfs/dbraw/zinc/07/08/33/190070833.db2.gz YSLHQAFEPWZHQT-UHFFFAOYSA-N 0 0 264.064 3.078 50 5 CGBARN COc1ccc([C@@H]2Oc3ccccc3C=C2[N+](=O)[O-])cc1 ZINC000000033967 169511126 /nfs/dbraw/zinc/51/11/26/169511126.db2.gz VWHLPNCPVHZLQX-INIZCTEOSA-N 0 0 283.283 3.447 50 5 CGBARN C[C@@H](O)c1nc2ccccc2n1Cc1ccc([N+](=O)[O-])cc1 ZINC000000035133 169511442 /nfs/dbraw/zinc/51/14/42/169511442.db2.gz NEKZQKXSBLZIRT-LLVKDONJSA-N 0 0 297.314 3.046 50 5 CGBARN Cc1cccc2nc(COc3ccccc3[N+](=O)[O-])cn21 ZINC000000035229 169511579 /nfs/dbraw/zinc/51/15/79/169511579.db2.gz YTZUZQFFSLUZDM-UHFFFAOYSA-N 0 0 283.287 3.130 50 5 CGBARN CCC[C@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000000449748 169643602 /nfs/dbraw/zinc/64/36/02/169643602.db2.gz WGKCRNUHNWGSDQ-QMMMGPOBSA-N 0 0 270.716 3.167 50 5 CGBARN CCC(C)(C)C(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000000455666 169645141 /nfs/dbraw/zinc/64/51/41/169645141.db2.gz MUTYXMBDDZHSDQ-UHFFFAOYSA-N 0 0 254.261 3.109 50 5 CGBARN O=[N+]([O-])c1cc(-c2nc3ccccc3o2)cc([N+](=O)[O-])c1 ZINC000003898108 285082019 /nfs/dbraw/zinc/08/20/19/285082019.db2.gz QITPNOSQBITPFB-UHFFFAOYSA-N 0 0 285.215 3.311 50 5 CGBARN O=[N+]([O-])c1ccc(Oc2ccccc2)c([N+](=O)[O-])c1 ZINC000001712520 285138223 /nfs/dbraw/zinc/13/82/23/285138223.db2.gz HQFCELSVOFCACS-UHFFFAOYSA-N 0 0 260.205 3.295 50 5 CGBARN O=[N+]([O-])c1ccc(Oc2ccc(F)cc2[N+](=O)[O-])cc1 ZINC000022796779 285138084 /nfs/dbraw/zinc/13/80/84/285138084.db2.gz WVWFJEFZYNZVCS-UHFFFAOYSA-N 0 0 278.195 3.434 50 5 CGBARN COc1ccc(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000000123654 391906214 /nfs/dbraw/zinc/90/62/14/391906214.db2.gz YTDBSXSICSGGCX-UHFFFAOYSA-N 0 0 286.287 3.164 50 5 CGBARN Cc1c(C(=O)NCCSC(C)(C)C)cccc1[N+](=O)[O-] ZINC000002988160 391915569 /nfs/dbraw/zinc/91/55/69/391915569.db2.gz MQKIHPRWAQHPCP-UHFFFAOYSA-N 0 0 296.392 3.165 50 5 CGBARN Cc1ccc(NC(=O)Nc2nccs2)c([N+](=O)[O-])c1 ZINC000004799918 391921420 /nfs/dbraw/zinc/92/14/20/391921420.db2.gz MKOAOVFPSXYTOJ-UHFFFAOYSA-N 0 0 278.293 3.004 50 5 CGBARN CCn1c(=O)c2cc3ccccc3cc2[n-]c1=S ZINC000005266909 391923331 /nfs/dbraw/zinc/92/33/31/391923331.db2.gz KBADWLPCUBJALR-UHFFFAOYSA-N 0 0 256.330 3.232 50 5 CGBARN Cc1ccc(C(=O)N2C[C@H](C)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000018144004 292068766 /nfs/dbraw/zinc/06/87/66/292068766.db2.gz JLPQXRMIYNILFF-PHIMTYICSA-N 0 0 276.336 3.021 50 5 CGBARN O=C(Nc1ccccc1[N+](=O)[O-])[C@@H]1C[C@H]1c1ccccc1 ZINC000004948541 170044529 /nfs/dbraw/zinc/04/45/29/170044529.db2.gz GCNZKHJCESWJHX-QWHCGFSZSA-N 0 0 282.299 3.337 50 5 CGBARN O=C(Nc1cccc([N+](=O)[O-])c1)C1=Cc2ccccc2OC1 ZINC000005034228 170058885 /nfs/dbraw/zinc/05/88/85/170058885.db2.gz KINYYJRYOAPLIW-UHFFFAOYSA-N 0 0 296.282 3.009 50 5 CGBARN O=C(CCC1CCCCC1)Nc1ccc([N+](=O)[O-])cn1 ZINC000005394906 170094312 /nfs/dbraw/zinc/09/43/12/170094312.db2.gz YLKYAIPFRJFCHP-UHFFFAOYSA-N 0 0 277.324 3.289 50 5 CGBARN Cc1cccc(NC(=O)/C=C/c2ccc([N+](=O)[O-])o2)c1 ZINC000007069822 170265979 /nfs/dbraw/zinc/26/59/79/170265979.db2.gz IMEPSZJZZXPAHQ-FNORWQNLSA-N 0 0 272.260 3.148 50 5 CGBARN CN(C(=O)c1cc(F)cc(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000008772641 170355226 /nfs/dbraw/zinc/35/52/26/170355226.db2.gz RVWXJKVBCLPHTM-UHFFFAOYSA-N 0 0 292.241 3.150 50 5 CGBARN Cc1cc([N+](=O)[O-])ccc1NC(=O)Cc1cccc(F)c1 ZINC000019162078 170754228 /nfs/dbraw/zinc/75/42/28/170754228.db2.gz PYZVHGJDLIRDLF-UHFFFAOYSA-N 0 0 288.278 3.224 50 5 CGBARN CCCCCNC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000020887182 171278111 /nfs/dbraw/zinc/27/81/11/171278111.db2.gz HCSCKFLZUKSABQ-UHFFFAOYSA-N 0 0 293.367 3.093 50 5 CGBARN Cc1ccc(NC(=O)c2ccsc2)cc1[N+](=O)[O-] ZINC000022590443 171393119 /nfs/dbraw/zinc/39/31/19/171393119.db2.gz UVZGJMFPWADCTJ-UHFFFAOYSA-N 0 0 262.290 3.217 50 5 CGBARN CCOC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000024605624 171437816 /nfs/dbraw/zinc/43/78/16/171437816.db2.gz OVKHMXKMNWEQHF-UHFFFAOYSA-N 0 0 271.272 3.439 50 5 CGBARN CC(=O)Nc1cc(NCCC(C)C)c(F)cc1[N+](=O)[O-] ZINC000032779091 171750534 /nfs/dbraw/zinc/75/05/34/171750534.db2.gz CHCNQJZUDDWARP-UHFFFAOYSA-N 0 0 283.303 3.150 50 5 CGBARN CCOCc1ccccc1CNc1ccc([N+](=O)[O-])cn1 ZINC000037500194 173237547 /nfs/dbraw/zinc/23/75/47/173237547.db2.gz FQZBRCIDRKROEE-UHFFFAOYSA-N 0 0 287.319 3.138 50 5 CGBARN CC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1C)C(C)C ZINC000048264875 175424245 /nfs/dbraw/zinc/42/42/45/175424245.db2.gz XLJCWVXFJBFDHZ-LBPRGKRZSA-N 0 0 264.325 3.068 50 5 CGBARN COc1ccc([N+](=O)[O-])cc1OCc1cccnc1Cl ZINC000052723575 175537170 /nfs/dbraw/zinc/53/71/70/175537170.db2.gz FCPAMLFRJOBROQ-UHFFFAOYSA-N 0 0 294.694 3.231 50 5 CGBARN O=[N+]([O-])c1ccc(N2CCC[C@H]2C2CCCC2)nc1 ZINC000071817208 176269604 /nfs/dbraw/zinc/26/96/04/176269604.db2.gz AMBVSUIZFSTTQZ-ZDUSSCGKSA-N 0 0 261.325 3.149 50 5 CGBARN Cc1ccc(C(=O)N2CCc3c2cccc3[N+](=O)[O-])s1 ZINC000078149128 177323984 /nfs/dbraw/zinc/32/39/84/177323984.db2.gz NDKRHSDKBZEOHT-UHFFFAOYSA-N 0 0 288.328 3.168 50 5 CGBARN CC(C)(C)SCC(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000078148615 177324077 /nfs/dbraw/zinc/32/40/77/177324077.db2.gz IHABDEGJONXZJL-UHFFFAOYSA-N 0 0 294.376 3.016 50 5 CGBARN Cc1cc([N+](=O)[O-])cc(Br)c1-n1cccc1 ZINC000001395196 416444358 /nfs/dbraw/zinc/44/43/58/416444358.db2.gz SKSTWSHCHGLELK-UHFFFAOYSA-N 0 0 281.109 3.456 50 5 CGBARN Cc1ccccc1-n1ncc2c1cc([N+](=O)[O-])cc2[N+](=O)[O-] ZINC000003617489 274805541 /nfs/dbraw/zinc/80/55/41/274805541.db2.gz IDJAKSPDYNCANX-UHFFFAOYSA-N 0 0 298.258 3.150 50 5 CGBARN CC(=O)O[C@@H]1c2ccccc2-c2ccc([N+](=O)[O-])cc21 ZINC000002042774 275498455 /nfs/dbraw/zinc/49/84/55/275498455.db2.gz VHOLNJWMRGLXCC-OAHLLOKOSA-N 0 0 269.256 3.228 50 5 CGBARN CC(C)(C)c1n[nH]cc1C=Cc1ccc([N+](=O)[O-])cn1 ZINC000095964520 275537767 /nfs/dbraw/zinc/53/77/67/275537767.db2.gz RTGMFSKNQSWRNZ-SNAWJCMRSA-N 0 0 272.308 3.181 50 5 CGBARN Cc1cc(Br)cc([N+](=O)[O-])c1Br ZINC000036532879 278626616 /nfs/dbraw/zinc/62/66/16/278626616.db2.gz NQAFPSSLVAEYCQ-UHFFFAOYSA-N 0 0 294.930 3.428 50 5 CGBARN Cc1cnn(-c2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 ZINC000039315307 279029279 /nfs/dbraw/zinc/02/92/79/279029279.db2.gz XCNUOWLAWRAMMF-UHFFFAOYSA-N 0 0 271.198 3.108 50 5 CGBARN Cc1nn(C23CC4CC(CC(C4)C2)C3)cc1[N+](=O)[O-] ZINC000005678013 279215840 /nfs/dbraw/zinc/21/58/40/279215840.db2.gz PCCAHRXMUCLOQP-UHFFFAOYSA-N 0 0 261.325 3.025 50 5 CGBARN O=[N+]([O-])c1cc(Br)c(F)cc1Br ZINC000071792884 280355200 /nfs/dbraw/zinc/35/52/00/280355200.db2.gz WDFCYQDGGDTTCT-UHFFFAOYSA-N 0 0 298.893 3.259 50 5 CGBARN Cc1cccn2cc(-c3cccc([N+](=O)[O-])c3)nc12 ZINC000001393764 281404890 /nfs/dbraw/zinc/40/48/90/281404890.db2.gz XEHFGVSJJRRHAB-UHFFFAOYSA-N 0 0 253.261 3.218 50 5 CGBARN Cc1cccc(OC(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000000436407 640924425 /nfs/dbraw/zinc/92/44/25/640924425.db2.gz RJCIKTALAPRASF-UHFFFAOYSA-N 0 0 257.245 3.122 50 5 CGBARN Nc1nc(=S)cc(-c2cccc([N+](=O)[O-])c2)s1 ZINC000023549979 798838739 /nfs/dbraw/zinc/83/87/39/798838739.db2.gz MOPCXEVHYUCCKR-UHFFFAOYSA-N 0 0 265.319 3.030 50 5 CGBARN Cc1nnc(-c2ccccc2)n1-c1ccc([N+](=O)[O-])cc1 ZINC000004819265 282310391 /nfs/dbraw/zinc/31/03/91/282310391.db2.gz UOAUUSPKUZSWNM-UHFFFAOYSA-N 0 0 280.287 3.151 50 5 CGBARN COC(=O)/C(=C/c1cccs1)c1ccc([N+](=O)[O-])s1 ZINC000069978588 345387398 /nfs/dbraw/zinc/38/73/98/345387398.db2.gz RRGPUXBUFDIWOX-VQHVLOKHSA-N 0 0 295.341 3.431 50 5 CGBARN CN(C)c1ccc2c3cc([N+](=O)[O-])ccc3n(C)c2c1 ZINC000075279555 345499640 /nfs/dbraw/zinc/49/96/40/345499640.db2.gz KFOYVNORXBWJPV-UHFFFAOYSA-N 0 0 269.304 3.306 50 5 CGBARN CCc1ccc(OC(=O)c2csc(C)n2)c([N+](=O)[O-])c1 ZINC000078814088 345622891 /nfs/dbraw/zinc/62/28/91/345622891.db2.gz SKAQPJCNDXXQEJ-UHFFFAOYSA-N 0 0 292.316 3.141 50 5 CGBARN COc1ccc(-c2ccc([N+](=O)[O-])cc2)cc1C=O ZINC000220196260 346295690 /nfs/dbraw/zinc/29/56/90/346295690.db2.gz JHTZATCRQQXCCF-UHFFFAOYSA-N 0 0 257.245 3.083 50 5 CGBARN CC(C)=CC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000161976008 188553900 /nfs/dbraw/zinc/55/39/00/188553900.db2.gz VQGQSTXYQIIXOB-UHFFFAOYSA-N 0 0 274.320 3.052 50 5 CGBARN Cc1nc([N+](=O)[O-])cn1Cc1cccc2ccccc21 ZINC000000225649 368319380 /nfs/dbraw/zinc/31/93/80/368319380.db2.gz HZWAJIJPBGYCEE-UHFFFAOYSA-N 0 0 267.288 3.301 50 5 CGBARN Cc1ccccc1OC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000000038470 368273988 /nfs/dbraw/zinc/27/39/88/368273988.db2.gz JPSZFHPZVGXCEL-UHFFFAOYSA-N 0 0 257.245 3.122 50 5 CGBARN CCN(C(=O)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000000103181 368290558 /nfs/dbraw/zinc/29/05/58/368290558.db2.gz UBAIVWQJHUXYKC-UHFFFAOYSA-N 0 0 270.288 3.262 50 5 CGBARN CCN(C(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000000103285 368290687 /nfs/dbraw/zinc/29/06/87/368290687.db2.gz NFLAIGYQGBGHJA-UHFFFAOYSA-N 0 0 270.288 3.262 50 5 CGBARN Cc1ccccc1NC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000000102954 368290772 /nfs/dbraw/zinc/29/07/72/368290772.db2.gz MTBHTQDKPBFTCG-UHFFFAOYSA-N 0 0 270.288 3.464 50 5 CGBARN COc1ccc(C(=O)Nc2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000000103390 368290803 /nfs/dbraw/zinc/29/08/03/368290803.db2.gz OKTCZURTMGDHBW-UHFFFAOYSA-N 0 0 286.287 3.164 50 5 CGBARN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)c1ccccc1 ZINC000000150557 368303806 /nfs/dbraw/zinc/30/38/06/368303806.db2.gz VZDUQPHKUBZMLW-UHFFFAOYSA-N 0 0 297.719 3.081 50 5 in-vitro CGBARN Cc1nnc(SCc2ccccc2[N+](=O)[O-])s1 ZINC000000162592 368306316 /nfs/dbraw/zinc/30/63/16/368306316.db2.gz OSICZZXPWKKWMB-UHFFFAOYSA-N 0 0 267.335 3.047 50 5 CGBARN CC(=O)c1cccc(OC(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000000281573 368331746 /nfs/dbraw/zinc/33/17/46/368331746.db2.gz FMZKCYJBIXDXGZ-UHFFFAOYSA-N 0 0 285.255 3.017 50 5 CGBARN Cc1ccc(CC(=O)Nc2cc([N+](=O)[O-])ccc2F)cc1 ZINC000000463857 368372054 /nfs/dbraw/zinc/37/20/54/368372054.db2.gz RVTVQFKVNUNQKU-UHFFFAOYSA-N 0 0 288.278 3.224 50 5 CGBARN COc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(C)c(C)o1 ZINC000000472400 368374044 /nfs/dbraw/zinc/37/40/44/368374044.db2.gz NUYDYVFDTSOKBT-UHFFFAOYSA-N 0 0 290.275 3.066 50 5 CGBARN Cc1ccc(C(=O)COc2ccc([N+](=O)[O-])cc2)cc1 ZINC000000475765 368375865 /nfs/dbraw/zinc/37/58/65/368375865.db2.gz BUTXKJOEBOAHAQ-UHFFFAOYSA-N 0 0 271.272 3.165 50 5 CGBARN Cc1ccc(COc2ccc([N+](=O)[O-])cc2C=O)cc1 ZINC000000566820 368387635 /nfs/dbraw/zinc/38/76/35/368387635.db2.gz AUZKLAKXJFBHOX-UHFFFAOYSA-N 0 0 271.272 3.295 50 5 CGBARN O=C(OCc1ccc([N+](=O)[O-])cc1)c1cccs1 ZINC000000587101 368389922 /nfs/dbraw/zinc/38/99/22/368389922.db2.gz NTHXXSCFTIRESZ-UHFFFAOYSA-N 0 0 263.274 3.013 50 5 CGBARN CCOC(=O)c1ccccc1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000002392591 368454225 /nfs/dbraw/zinc/45/42/25/368454225.db2.gz WMSZMJXCZHWMQV-UHFFFAOYSA-N 0 0 299.282 3.003 50 5 CGBARN CCCCN(CC)C(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000002833295 368481224 /nfs/dbraw/zinc/48/12/24/368481224.db2.gz PBVYPKSJROZZTI-UHFFFAOYSA-N 0 0 264.325 3.165 50 5 CGBARN O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@@H]1c1ccccc1 ZINC000004012183 368526235 /nfs/dbraw/zinc/52/62/35/368526235.db2.gz VQBXJAHKWCTDEL-HUUCEWRRSA-N 0 0 282.299 3.337 50 5 CGBARN Cc1cccc(Nc2ccc([N+](=O)[O-])c3nonc32)c1C ZINC000004116753 368532572 /nfs/dbraw/zinc/53/25/72/368532572.db2.gz JPRUQJWHRKVCRP-UHFFFAOYSA-N 0 0 284.275 3.491 50 5 CGBARN COC(=O)c1ccc(NC2CCCCC2)c([N+](=O)[O-])c1 ZINC000004622301 368552531 /nfs/dbraw/zinc/55/25/31/368552531.db2.gz RKLPKKOKDXVKFJ-UHFFFAOYSA-N 0 0 278.308 3.126 50 5 CGBARN CC(C)(C)CC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000004524489 368549910 /nfs/dbraw/zinc/54/99/10/368549910.db2.gz WBJZVHVCTRFJAW-UHFFFAOYSA-N 0 0 254.261 3.109 50 5 CGBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CC=CCC1 ZINC000012758081 368625772 /nfs/dbraw/zinc/62/57/72/368625772.db2.gz OSDGORVOHMSQGU-LLVKDONJSA-N 0 0 260.293 3.198 50 5 CGBARN O=C(Cc1ccccc1[N+](=O)[O-])Nc1cc(F)ccc1F ZINC000013001021 368639605 /nfs/dbraw/zinc/63/96/05/368639605.db2.gz CQZKZXHBQZHDDI-UHFFFAOYSA-N 0 0 292.241 3.054 50 5 CGBARN C[C@H](c1ccc(F)cc1)N(C)c1ccc([N+](=O)[O-])cn1 ZINC000013012934 368640688 /nfs/dbraw/zinc/64/06/88/368640688.db2.gz BCKXHCNBASZJQI-SNVBAGLBSA-N 0 0 275.283 3.326 50 5 CGBARN Cc1cccc(OCc2nc3cc([N+](=O)[O-])ccc3[nH]2)c1 ZINC000016903846 368722291 /nfs/dbraw/zinc/72/22/91/368722291.db2.gz YJRXUEXFJIESTJ-UHFFFAOYSA-N 0 0 283.287 3.359 50 5 CGBARN O=[N+]([O-])c1ccc(N(Cc2ccccc2)C2CC2)nc1 ZINC000032779257 368945157 /nfs/dbraw/zinc/94/51/57/368945157.db2.gz LBNVKUYOJVZPNN-UHFFFAOYSA-N 0 0 269.304 3.159 50 5 CGBARN Cc1c(NC(=O)C[C@H](C)n2cccc2)cccc1[N+](=O)[O-] ZINC000069812708 369771994 /nfs/dbraw/zinc/77/19/94/369771994.db2.gz VOYOBRPOQUJZAO-NSHDSACASA-N 0 0 287.319 3.295 50 5 CGBARN CC(C)(C)OC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000083502401 370006964 /nfs/dbraw/zinc/00/69/64/370006964.db2.gz ISUVTQPDPBJTCK-UHFFFAOYSA-N 0 0 256.233 3.081 50 5 CGBARN Cc1cc(Oc2nn(C)cc2[N+](=O)[O-])ccc1Cl ZINC000095098618 370176439 /nfs/dbraw/zinc/17/64/39/370176439.db2.gz NUFAQMIUMNEXNQ-UHFFFAOYSA-N 0 0 267.672 3.082 50 5 CGBARN CC[C@H](NC(=O)c1cc[nH]c1C)c1cccc([N+](=O)[O-])c1 ZINC000095446732 370195259 /nfs/dbraw/zinc/19/52/59/370195259.db2.gz PNVITXGDXXWVGF-AWEZNQCLSA-N 0 0 287.319 3.112 50 5 CGBARN O=C(Nc1cc(F)cc([N+](=O)[O-])c1)OCc1ccccc1 ZINC000261494015 190039650 /nfs/dbraw/zinc/03/96/50/190039650.db2.gz OAWDACAERHIYJM-UHFFFAOYSA-N 0 0 290.250 3.483 50 5 CGBARN Cc1cc(OC(F)F)c(Br)cc1[N+](=O)[O-] ZINC000263623296 190069994 /nfs/dbraw/zinc/06/99/94/190069994.db2.gz GHTIMUXQEDIHNJ-UHFFFAOYSA-N 0 0 282.040 3.267 50 5 CGBARN Cc1ccc(OC(F)F)c(Br)c1[N+](=O)[O-] ZINC000263625050 190071154 /nfs/dbraw/zinc/07/11/54/190071154.db2.gz WHKJBUCNBCMPLX-UHFFFAOYSA-N 0 0 282.040 3.267 50 5 CGBARN Cc1ccccc1C(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000000038546 169513191 /nfs/dbraw/zinc/51/31/91/169513191.db2.gz ONJIHOGCLPHZSU-UHFFFAOYSA-N 0 0 274.251 3.295 50 5 CGBARN Cc1c(C(=O)N[C@H](C)c2ccccc2)cccc1[N+](=O)[O-] ZINC000000272434 169593786 /nfs/dbraw/zinc/59/37/86/169593786.db2.gz LXAUECYPDAPKHI-GFCCVEGCSA-N 0 0 284.315 3.394 50 5 CGBARN O=C(c1ccc([N+](=O)[O-])cc1)c1ccccc1Cl ZINC000000347308 169613299 /nfs/dbraw/zinc/61/32/99/169613299.db2.gz HQHOYTXNCOKBNE-UHFFFAOYSA-N 0 0 261.664 3.479 50 5 CGBARN O=[N+]([O-])c1cccc(-c2noc(-c3ccc(F)cc3)n2)c1 ZINC000000078448 285152667 /nfs/dbraw/zinc/15/26/67/285152667.db2.gz PHSKMUVSVYQIRN-UHFFFAOYSA-N 0 0 285.234 3.451 50 5 CGBARN C[C@H]1CCC[C@H](OC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000001511538 169710550 /nfs/dbraw/zinc/71/05/50/169710550.db2.gz KBZMEHXPBKOFCY-GWCFXTLKSA-N 0 0 263.293 3.330 50 5 CGBARN C[C@@H]1CCc2oc3cc([N+](=O)[O-])cc([N+](=O)[O-])c3c2C1 ZINC000003618929 391919188 /nfs/dbraw/zinc/91/91/88/391919188.db2.gz XXLRWLHAWPLBOA-SSDOTTSWSA-N 0 0 276.248 3.374 50 5 CGBARN Cc1cccc(C)c1Nc1ccc2nonc2c1[N+](=O)[O-] ZINC000003879030 391919236 /nfs/dbraw/zinc/91/92/36/391919236.db2.gz JOGNRCFJVCWKEV-UHFFFAOYSA-N 0 0 284.275 3.491 50 5 CGBARN Cc1cc([N+](=O)[O-])c(Nc2cccc(O)c2)c([N+](=O)[O-])c1 ZINC000005011969 291991920 /nfs/dbraw/zinc/99/19/20/291991920.db2.gz YAAGLMHJPMGMRA-UHFFFAOYSA-N 0 0 289.247 3.261 50 5 CGBARN CCOc1ccc(C(F)(F)F)c(F)c1[N+](=O)[O-] ZINC000261493818 393139636 /nfs/dbraw/zinc/13/96/36/393139636.db2.gz JZIZHRNQMNEDKM-UHFFFAOYSA-N 0 0 253.151 3.151 50 5 CGBARN O=[N+]([O-])c1ccc(N2CCCC2)cc1NCc1ccccn1 ZINC000004739200 170008096 /nfs/dbraw/zinc/00/80/96/170008096.db2.gz LKPPYHWLTYNAEC-UHFFFAOYSA-N 0 0 298.346 3.202 50 5 CGBARN O=C(Nc1cc(F)cc(F)c1)c1ccccc1[N+](=O)[O-] ZINC000004814482 170021891 /nfs/dbraw/zinc/02/18/91/170021891.db2.gz ZRKILJJIUNUVRE-UHFFFAOYSA-N 0 0 278.214 3.125 50 5 CGBARN CC[C@@H](Cc1ccccc1)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000004825664 170024643 /nfs/dbraw/zinc/02/46/43/170024643.db2.gz XBBQPLXNHHQNQE-HNNXBMFYSA-N 0 0 298.342 3.346 50 5 CGBARN NC(=O)c1ccc(Nc2cccc(Cl)c2)c([N+](=O)[O-])c1 ZINC000005935308 170157453 /nfs/dbraw/zinc/15/74/53/170157453.db2.gz GCMFQYHDWMHKQX-UHFFFAOYSA-N 0 0 291.694 3.091 50 5 CGBARN CCNc1nnc(SCc2ccc([N+](=O)[O-])cc2)s1 ZINC000007245867 170273540 /nfs/dbraw/zinc/27/35/40/170273540.db2.gz FKZWXJZSGFODOQ-UHFFFAOYSA-N 0 0 296.377 3.170 50 5 CGBARN CC(C)CSc1nnc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000009498702 170379251 /nfs/dbraw/zinc/37/92/51/170379251.db2.gz BJRLIPYCLHPSRO-UHFFFAOYSA-N 0 0 279.321 3.393 50 5 CGBARN Cc1nc(-c2ccc(NC3CCCC3)c([N+](=O)[O-])c2)no1 ZINC000009669036 170383812 /nfs/dbraw/zinc/38/38/12/170383812.db2.gz ZNBBOEKYHJVOOJ-UHFFFAOYSA-N 0 0 288.307 3.308 50 5 CGBARN O=c1ccc([N+](=O)[O-])cn1Cc1ccc(Cl)c(Cl)c1 ZINC000010023488 170395941 /nfs/dbraw/zinc/39/59/41/170395941.db2.gz JMNRWOXUROIALK-UHFFFAOYSA-N 0 0 299.113 3.112 50 5 CGBARN O=c1[nH]c(C=Cc2ccccc2[N+](=O)[O-])nc2ccccc12 ZINC000018212423 170748561 /nfs/dbraw/zinc/74/85/61/170748561.db2.gz IMBSQJKMFOAGJH-MDZDMXLPSA-N 0 0 293.282 3.002 50 5 CGBARN COc1cccc(OCc2nc3cc([N+](=O)[O-])ccc3[nH]2)c1 ZINC000020897511 171278721 /nfs/dbraw/zinc/27/87/21/171278721.db2.gz NOCUYDGDRGIUIY-UHFFFAOYSA-N 0 0 299.286 3.059 50 5 CGBARN O=[N+]([O-])c1ccc(Cl)nc1OCc1ccccc1 ZINC000037331497 173132585 /nfs/dbraw/zinc/13/25/85/173132585.db2.gz NVBPUWHAXMBULS-UHFFFAOYSA-N 0 0 264.668 3.222 50 5 CGBARN CC(C)CC(=O)N(C)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000040465494 174274544 /nfs/dbraw/zinc/27/45/44/174274544.db2.gz XEEGICGVLXPVQF-NSHDSACASA-N 0 0 264.325 3.160 50 5 CGBARN C[C@H](c1ccco1)N(C(=O)c1ccc([N+](=O)[O-])o1)C1CC1 ZINC000056181405 175583253 /nfs/dbraw/zinc/58/32/53/175583253.db2.gz CQWLBNVUWKPCJQ-SECBINFHSA-N 0 0 290.275 3.147 50 5 CGBARN O=C(Nc1ccc(Cl)nc1)c1cc([N+](=O)[O-])ccc1F ZINC000071803709 176266610 /nfs/dbraw/zinc/26/66/10/176266610.db2.gz ZDYFAHBEUWZHDO-UHFFFAOYSA-N 0 0 295.657 3.035 50 5 CGBARN CC(C)[C@H](CCO)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000078903492 177404139 /nfs/dbraw/zinc/40/41/39/177404139.db2.gz JXWQFJQZMXQHLI-JTQLQIEISA-N 0 0 272.732 3.067 50 5 CGBARN O=[N+]([O-])c1ccc(-c2ccc(F)c(F)c2F)cn1 ZINC000725271491 544115321 /nfs/dbraw/zinc/11/53/21/544115321.db2.gz GVCCAUKCSZGZGV-UHFFFAOYSA-N 0 0 254.167 3.074 50 5 CGBARN CC(C)(C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000005726568 277131085 /nfs/dbraw/zinc/13/10/85/277131085.db2.gz BNWZGRJONYNRRM-UHFFFAOYSA-N 0 0 256.689 3.233 50 5 CGBARN Cc1c(I)cc(Cl)cc1[N+](=O)[O-] ZINC000014985659 278602500 /nfs/dbraw/zinc/60/25/00/278602500.db2.gz MNRZNGSAWDQNSN-UHFFFAOYSA-N 0 0 297.479 3.161 50 5 CGBARN C[C@@H]1C[C@@H](C)CN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C1 ZINC000002767259 278881037 /nfs/dbraw/zinc/88/10/37/278881037.db2.gz HMBWCLZWWZMIHT-IURQOMBCSA-N 0 0 288.347 3.113 50 5 CGBARN Cc1cc(-c2nnc(-c3ccco3)o2)ccc1[N+](=O)[O-] ZINC000002755894 280288631 /nfs/dbraw/zinc/28/86/31/280288631.db2.gz QPHJMHAXTFUMOS-UHFFFAOYSA-N 0 0 271.232 3.213 50 5 CGBARN Cc1cc(NC(=O)C(C)C)nc2c3ccccc3oc(=O)c12 ZINC000000428479 280597331 /nfs/dbraw/zinc/59/73/31/280597331.db2.gz BXHKVZXFRYTZOO-UHFFFAOYSA-N 0 0 296.326 3.244 50 5 CGBARN Cc1nc(N2CCC[C@H](C(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000178006432 281926768 /nfs/dbraw/zinc/92/67/68/281926768.db2.gz SFTPWQMOZLMXPD-VIFPVBQESA-N 0 0 289.257 3.077 50 5 CGBARN Cc1cnc(NC(=O)/C=C\c2ccccc2[N+](=O)[O-])s1 ZINC000096593088 534568927 /nfs/dbraw/zinc/56/89/27/534568927.db2.gz PQSDYVBFKDVTJK-SREVYHEPSA-N 0 0 289.316 3.012 50 5 CGBARN O=[N+]([O-])c1c(F)cccc1NCc1cccc(O)c1 ZINC000180419772 534879304 /nfs/dbraw/zinc/87/93/04/534879304.db2.gz NYHBSTWNXJHTLD-UHFFFAOYSA-N 0 0 262.240 3.052 50 5 CGBARN O=[N+]([O-])c1ccc([C@@H]2Nc3cc([N+](=O)[O-])ccc3O2)s1 ZINC000003134041 534882903 /nfs/dbraw/zinc/88/29/03/534882903.db2.gz ARVMVJJYSIVYTJ-LLVKDONJSA-N 0 0 293.260 3.068 50 5 CGBARN O=C(/C=C\c1cccc([N+](=O)[O-])c1)Nc1cccc(F)c1 ZINC000033297219 624262177 /nfs/dbraw/zinc/26/21/77/624262177.db2.gz LXBQHJMCULDZRR-FPLPWBNLSA-N 0 0 286.262 3.386 50 5 CGBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)/C=C\c1ccco1 ZINC000033321681 624267911 /nfs/dbraw/zinc/26/79/11/624267911.db2.gz YTUROABLHWJHEA-SREVYHEPSA-N 0 0 272.260 3.148 50 5 CGBARN C[C@H]1CC(C)(C)C[C@](Br)([N+](=O)[O-])C1 ZINC000958528865 640826948 /nfs/dbraw/zinc/82/69/48/640826948.db2.gz XEKBCHSLQYFJLS-IONNQARKSA-N 0 0 250.136 3.201 50 5 CGBARN C/C(=C\c1ccc(F)c([N+](=O)[O-])c1)c1cnccn1 ZINC000588612031 799721659 /nfs/dbraw/zinc/72/16/59/799721659.db2.gz UUIVTYMTCDGKFI-RMKNXTFCSA-N 0 0 259.240 3.084 50 5 CGBARN O=Cc1ccc(COc2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000002578429 230367291 /nfs/dbraw/zinc/36/72/91/230367291.db2.gz FERBOZBUTUXYOD-UHFFFAOYSA-N 0 0 281.651 3.233 50 5 CGBARN O=[N+]([O-])c1ccc(NCCNc2ccccc2)cc1 ZINC000005395106 344862104 /nfs/dbraw/zinc/86/21/04/344862104.db2.gz GWZKIGHEQJSCQT-UHFFFAOYSA-N 0 0 257.293 3.119 50 5 CGBARN Cc1cc(SC2CCOCC2)ccc1[N+](=O)[O-] ZINC000092688851 345853004 /nfs/dbraw/zinc/85/30/04/345853004.db2.gz IZICYCVQRDEEMJ-UHFFFAOYSA-N 0 0 253.323 3.174 50 5 CGBARN COc1ccc([N+](=O)[O-])c(F)c1OC1CCCC1 ZINC000168953958 346191438 /nfs/dbraw/zinc/19/14/38/346191438.db2.gz LGBNOBXGLSHWEO-UHFFFAOYSA-N 0 0 255.245 3.064 50 5 CGBARN Cc1c(Br)ccc(OC(C)C)c1[N+](=O)[O-] ZINC000606304474 348174370 /nfs/dbraw/zinc/17/43/70/348174370.db2.gz CJBAWLCCYIAXNX-UHFFFAOYSA-N 0 0 274.114 3.453 50 5 CGBARN CCOc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000000247774 368324592 /nfs/dbraw/zinc/32/45/92/368324592.db2.gz UJTFAIACKGEUFV-UHFFFAOYSA-N 0 0 286.287 3.246 50 5 CGBARN CC(=O)Oc1ccc2ccccc2c1/C=C/[N+](=O)[O-] ZINC000000051588 368278270 /nfs/dbraw/zinc/27/82/70/368278270.db2.gz HKYAHSMUNBCGDN-CMDGGOBGSA-N 0 0 257.245 3.013 50 5 CGBARN CCc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000000061710 368280904 /nfs/dbraw/zinc/28/09/04/368280904.db2.gz PZEDUAAQRVKPFO-UHFFFAOYSA-N 0 0 270.288 3.410 50 5 CGBARN O=C(Nc1ccc(F)cc1F)c1ccccc1[N+](=O)[O-] ZINC000000069321 368281993 /nfs/dbraw/zinc/28/19/93/368281993.db2.gz ZYFZPPOOLKRCSO-UHFFFAOYSA-N 0 0 278.214 3.125 50 5 CGBARN Cc1ccc(-c2nc(-c3ccccn3)no2)cc1[N+](=O)[O-] ZINC000000078907 368283928 /nfs/dbraw/zinc/28/39/28/368283928.db2.gz NVWFCLOBNVFWGR-UHFFFAOYSA-N 0 0 282.259 3.015 50 5 CGBARN Cc1ccc(C)c(COc2ccc(C)nc2[N+](=O)[O-])c1 ZINC000000083209 368284446 /nfs/dbraw/zinc/28/44/46/368284446.db2.gz GESSTSYPRBOICD-UHFFFAOYSA-N 0 0 272.304 3.494 50 5 CGBARN Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc(C)c1O ZINC000000092419 368286433 /nfs/dbraw/zinc/28/64/33/368286433.db2.gz VVKVQGSNVWKEGK-UHFFFAOYSA-N 0 0 286.287 3.170 50 5 CGBARN Cc1noc(C)c1Sc1ccccc1[N+](=O)[O-] ZINC000000103146 368290974 /nfs/dbraw/zinc/29/09/74/368290974.db2.gz IRTFFPDHOBUUBF-UHFFFAOYSA-N 0 0 250.279 3.351 50 5 CGBARN Cc1ccc(C(=O)c2cccc([N+](=O)[O-])c2)cc1C ZINC000000156623 368304924 /nfs/dbraw/zinc/30/49/24/368304924.db2.gz NBDNYHATMBDUEB-UHFFFAOYSA-N 0 0 255.273 3.443 50 5 CGBARN O=C(Nc1ccccc1)c1c(F)ccc([N+](=O)[O-])c1F ZINC000000159245 368305250 /nfs/dbraw/zinc/30/52/50/368305250.db2.gz JSAGKAYKWQRWPM-UHFFFAOYSA-N 0 0 278.214 3.125 50 5 CGBARN COc1cc([N+](=O)[O-])ccc1-c1cc2ccccc2oc1=O ZINC000000170786 368308294 /nfs/dbraw/zinc/30/82/94/368308294.db2.gz VYVXSKJOTRKZHU-UHFFFAOYSA-N 0 0 297.266 3.377 50 5 CGBARN O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccc(F)c(F)c1 ZINC000000437123 368366328 /nfs/dbraw/zinc/36/63/28/368366328.db2.gz SMPGBYIJGWJWSQ-UHFFFAOYSA-N 0 0 292.241 3.054 50 5 CGBARN CCN(C(=O)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000001022322 368400397 /nfs/dbraw/zinc/40/03/97/368400397.db2.gz XOAOVEDAORIZDJ-UHFFFAOYSA-N 0 0 270.288 3.262 50 5 CGBARN CC(=O)Cn1c2ccccc2c2nc3ccccc3nc21 ZINC000001906952 368441973 /nfs/dbraw/zinc/44/19/73/368441973.db2.gz WVLIXAVJELRRRP-UHFFFAOYSA-N 0 0 275.311 3.327 50 5 CGBARN O=[N+]([O-])c1ccc(OCCOc2ccccc2)cc1 ZINC000002164922 368448303 /nfs/dbraw/zinc/44/83/03/368448303.db2.gz HRBVDXVFAYYMJV-UHFFFAOYSA-N 0 0 259.261 3.053 50 5 CGBARN CCCCCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000002774120 368477996 /nfs/dbraw/zinc/47/79/96/368477996.db2.gz QJGVPFAVUSMUJU-UHFFFAOYSA-N 0 0 266.297 3.122 50 5 CGBARN O=C(NCc1ccccc1F)Nc1ccccc1[N+](=O)[O-] ZINC000004364464 368544484 /nfs/dbraw/zinc/54/44/84/368544484.db2.gz QZBNLTJKVIQBSX-UHFFFAOYSA-N 0 0 289.266 3.056 50 5 CGBARN Cc1cccn2cc(COc3ccc([N+](=O)[O-])cc3)nc12 ZINC000008216714 368573943 /nfs/dbraw/zinc/57/39/43/368573943.db2.gz SFDOSVJGUYWYKG-UHFFFAOYSA-N 0 0 283.287 3.130 50 5 CGBARN CC(C)CC[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000010410899 368580464 /nfs/dbraw/zinc/58/04/64/368580464.db2.gz ZBLGUZXOUORHJV-LLVKDONJSA-N 0 0 264.325 3.149 50 5 CGBARN Cc1c(C(=O)NCC2CCCCC2)cccc1[N+](=O)[O-] ZINC000012687257 368624545 /nfs/dbraw/zinc/62/45/45/368624545.db2.gz ZUWRFIMXJXFKAM-UHFFFAOYSA-N 0 0 276.336 3.213 50 5 CGBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)Cc1cccc(F)c1 ZINC000012777185 368627211 /nfs/dbraw/zinc/62/72/11/368627211.db2.gz HSRSSKZXDCAIQX-UHFFFAOYSA-N 0 0 288.278 3.224 50 5 CGBARN CN(Cc1cccc(Cl)c1)c1ccc([N+](=O)[O-])cn1 ZINC000012952945 368635814 /nfs/dbraw/zinc/63/58/14/368635814.db2.gz PCTOSPURPIATBZ-UHFFFAOYSA-N 0 0 277.711 3.280 50 5 CGBARN O=[N+]([O-])c1ccccc1OCCCn1cnc2ccccc21 ZINC000013153056 368644955 /nfs/dbraw/zinc/64/49/55/368644955.db2.gz QMRKWEZGFBRLRC-UHFFFAOYSA-N 0 0 297.314 3.414 50 5 CGBARN CC(C)[C@@H](C)Nc1c2ccccc2oc(=O)c1[N+](=O)[O-] ZINC000014077238 368673987 /nfs/dbraw/zinc/67/39/87/368673987.db2.gz KJVIQLZEXXMAJR-SECBINFHSA-N 0 0 276.292 3.158 50 5 CGBARN CCCOc1ccc(-c2csc(N)n2)cc1[N+](=O)[O-] ZINC000019854079 368774465 /nfs/dbraw/zinc/77/44/65/368774465.db2.gz HYXQWTHANXPQHU-UHFFFAOYSA-N 0 0 279.321 3.089 50 5 CGBARN C[C@@H]1c2c3cccc([N+](=O)[O-])c3oc2[C@@H](C)CN1C ZINC000035335356 369002310 /nfs/dbraw/zinc/00/23/10/369002310.db2.gz YEDYHJFVBBFGPZ-DTWKUNHWSA-N 0 0 260.293 3.451 50 5 CGBARN CCCOc1ccc([N+](=O)[O-])cc1Br ZINC000074937712 369891775 /nfs/dbraw/zinc/89/17/75/369891775.db2.gz PUDSNKROJBEMKJ-UHFFFAOYSA-N 0 0 260.087 3.146 50 5 CGBARN COC(=O)c1cc(-c2ccc(C)cc2)cc([N+](=O)[O-])c1 ZINC000097757325 370252960 /nfs/dbraw/zinc/25/29/60/370252960.db2.gz YWUWJWNTRLJCSZ-UHFFFAOYSA-N 0 0 271.272 3.357 50 5 CGBARN CCN1CCCc2cc(Br)cc([N+](=O)[O-])c21 ZINC000170626085 372643549 /nfs/dbraw/zinc/64/35/49/372643549.db2.gz UTEHJYLRBYJIKD-UHFFFAOYSA-N 0 0 285.141 3.130 50 5 CGBARN CCS[C@@H]1CCCCN(c2ncc([N+](=O)[O-])s2)C1 ZINC000192453764 375752048 /nfs/dbraw/zinc/75/20/48/375752048.db2.gz JJYALYPXBUSTMH-SECBINFHSA-N 0 0 287.410 3.163 50 5 CGBARN CC(C)COc1cc(Br)cc([N+](=O)[O-])c1 ZINC000261493699 190039610 /nfs/dbraw/zinc/03/96/10/190039610.db2.gz HIXWQKQTBNDQBI-UHFFFAOYSA-N 0 0 274.114 3.392 50 5 CGBARN Cc1c(OC(F)F)cc(Br)cc1[N+](=O)[O-] ZINC000263624905 190071058 /nfs/dbraw/zinc/07/10/58/190071058.db2.gz VBZQITYZTMDNBB-UHFFFAOYSA-N 0 0 282.040 3.267 50 5 CGBARN C[C@H](Nc1ccc(Cl)cc1[N+](=O)[O-])c1cn[nH]c1 ZINC000231676911 376564613 /nfs/dbraw/zinc/56/46/13/376564613.db2.gz IZWVEICEECFVSW-ZETCQYMHSA-N 0 0 266.688 3.144 50 5 CGBARN CC(=O)c1ccc(C)cc1OC(=O)c1cccc([N+](=O)[O-])c1 ZINC000000265344 169591677 /nfs/dbraw/zinc/59/16/77/169591677.db2.gz VVUAUXRNXLJWPY-UHFFFAOYSA-N 0 0 299.282 3.325 50 5 CGBARN CCN(CC)C(=S)Sc1ccc([N+](=O)[O-])cc1 ZINC000000372035 169621116 /nfs/dbraw/zinc/62/11/16/169621116.db2.gz PCVKDUZETPAMDY-UHFFFAOYSA-N 0 0 270.379 3.314 50 5 CGBARN O=[N+]([O-])c1ccc(OC(Cl)(Cl)Cl)c(F)c1 ZINC000095215753 285137406 /nfs/dbraw/zinc/13/74/06/285137406.db2.gz KRCFPEFERQFWDW-UHFFFAOYSA-N 0 0 274.462 3.440 50 5 CGBARN O=c1oc2ccccc2c(Oc2ccccc2)c1[N+](=O)[O-] ZINC000002454907 285229279 /nfs/dbraw/zinc/22/92/79/285229279.db2.gz XTTIBAZZBUWMHG-UHFFFAOYSA-N 0 0 283.239 3.494 50 5 biogenic CGBARN Cc1ccc(/C(=C2\OC(=O)c3ccccc32)[N+](=O)[O-])cc1 ZINC000000354014 391909235 /nfs/dbraw/zinc/90/92/35/391909235.db2.gz WVICXYCMBZEBGV-CCEZHUSRSA-N 0 0 281.267 3.268 50 5 CGBARN CC(=O)n1nc(-c2ccccc2)c([N+](=O)[O-])c1C(F)(F)F ZINC000002379309 391915069 /nfs/dbraw/zinc/91/50/69/391915069.db2.gz SJVMBPNOGVYEFU-UHFFFAOYSA-N 0 0 299.208 3.137 50 5 CGBARN Cc1cc(NC(=O)c2ccoc2)c2cc([N+](=O)[O-])ccc2n1 ZINC000097142425 392260942 /nfs/dbraw/zinc/26/09/42/392260942.db2.gz HKFCZICXICWDKO-UHFFFAOYSA-N 0 0 297.270 3.297 50 5 CGBARN CCO[C@@H]1c2c(c([N+](=O)[O-])ccc2C)OC1(C)C ZINC000004105219 286421455 /nfs/dbraw/zinc/42/14/55/286421455.db2.gz KEXBZZJRTCEAQU-GFCCVEGCSA-N 0 0 251.282 3.152 50 5 CGBARN O=C(NCc1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 ZINC000003480011 169891243 /nfs/dbraw/zinc/89/12/43/169891243.db2.gz MRQPJXPBUJWTDD-UHFFFAOYSA-N 0 0 290.706 3.178 50 5 CGBARN Cc1nc(Cl)nc(N(C)c2ccccc2)c1[N+](=O)[O-] ZINC000003878085 169919140 /nfs/dbraw/zinc/91/91/40/169919140.db2.gz JDGQVAOYUNHCNU-UHFFFAOYSA-N 0 0 278.699 3.115 50 5 CGBARN C[C@H]1CCCCN1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000004776699 170015940 /nfs/dbraw/zinc/01/59/40/170015940.db2.gz YSBCQYOQISUINO-JTQLQIEISA-N 0 0 263.297 3.001 50 5 CGBARN O=[N+]([O-])c1ccn(Cc2cccc(Cl)c2Cl)n1 ZINC000004810765 170021515 /nfs/dbraw/zinc/02/15/15/170021515.db2.gz MEYJJUWIDXNXCK-UHFFFAOYSA-N 0 0 272.091 3.146 50 5 CGBARN CCC(=O)Nc1ccc(C(C)(C)C)cc1[N+](=O)[O-] ZINC000004831776 170025650 /nfs/dbraw/zinc/02/56/50/170025650.db2.gz NNNVPEGEOFJHNM-UHFFFAOYSA-N 0 0 250.298 3.241 50 5 CGBARN COc1ccccc1CNc1cccc([N+](=O)[O-])c1 ZINC000004865835 170032682 /nfs/dbraw/zinc/03/26/82/170032682.db2.gz ZECQYAOGPAEZJI-UHFFFAOYSA-N 0 0 258.277 3.216 50 5 CGBARN Cc1ccc(CC(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1 ZINC000004949549 170044306 /nfs/dbraw/zinc/04/43/06/170044306.db2.gz AJFQDFZJTLTMRT-UHFFFAOYSA-N 0 0 284.315 3.393 50 5 CGBARN O=C(Nc1ccccc1[N+](=O)[O-])[C@H]1C[C@H]1c1ccccc1 ZINC000004948538 170044528 /nfs/dbraw/zinc/04/45/28/170044528.db2.gz GCNZKHJCESWJHX-STQMWFEESA-N 0 0 282.299 3.337 50 5 CGBARN Cc1nn(CCOc2ccccc2Cl)c(C)c1[N+](=O)[O-] ZINC000005342358 170087749 /nfs/dbraw/zinc/08/77/49/170087749.db2.gz IQLNOMQJARSXBY-UHFFFAOYSA-N 0 0 295.726 3.141 50 5 CGBARN O=[N+]([O-])c1ccc(Oc2cccnc2[N+](=O)[O-])c(Cl)c1 ZINC000007814002 170304023 /nfs/dbraw/zinc/30/40/23/170304023.db2.gz YZUDTMVRNFGSAM-UHFFFAOYSA-N 0 0 295.638 3.344 50 5 CGBARN Cc1ccccc1Oc1nc2sccn2c1[N+](=O)[O-] ZINC000008308592 170329995 /nfs/dbraw/zinc/32/99/95/170329995.db2.gz LFLVRWYJQLTRHE-UHFFFAOYSA-N 0 0 275.289 3.405 50 5 CGBARN CCC(CC)NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000009513443 170380077 /nfs/dbraw/zinc/38/00/77/170380077.db2.gz LQAAQNGEANIYTF-UHFFFAOYSA-N 0 0 270.716 3.167 50 5 CGBARN O=[N+]([O-])c1ccc(Oc2cnc(-c3ccccc3)nc2)nc1 ZINC000031784776 171647517 /nfs/dbraw/zinc/64/75/17/171647517.db2.gz WAEAABWCUGPRGN-UHFFFAOYSA-N 0 0 294.270 3.239 50 5 CGBARN C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)[C@H]1CC=CCC1 ZINC000032772654 171749533 /nfs/dbraw/zinc/74/95/33/171749533.db2.gz YCBNMGSERKZSJD-STQMWFEESA-N 0 0 288.347 3.471 50 5 CGBARN COC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000040450028 174265743 /nfs/dbraw/zinc/26/57/43/174265743.db2.gz VPTBROVHGPFOPR-UHFFFAOYSA-N 0 0 273.244 3.174 50 5 CGBARN Cc1nc(COc2cc(C)ccc2[N+](=O)[O-])oc1C ZINC000040556317 174330948 /nfs/dbraw/zinc/33/09/48/174330948.db2.gz HXAQIDWBHUQBRF-UHFFFAOYSA-N 0 0 262.265 3.087 50 5 CGBARN Cc1noc(C)c1COc1cccc([N+](=O)[O-])c1C ZINC000059012810 175630119 /nfs/dbraw/zinc/63/01/19/175630119.db2.gz NCAUDELJYJKALQ-UHFFFAOYSA-N 0 0 262.265 3.087 50 5 CGBARN O=[N+]([O-])c1cc(F)c(Cl)cc1Br ZINC000036533098 280359474 /nfs/dbraw/zinc/35/94/74/280359474.db2.gz KPAVKOUZDIGLJY-UHFFFAOYSA-N 0 0 254.442 3.150 50 5 CGBARN CC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000000080327 526445052 /nfs/dbraw/zinc/44/50/52/526445052.db2.gz BWXYFHXXLNEBRI-UHFFFAOYSA-N 0 0 279.239 3.295 50 5 CGBARN O=[N+]([O-])c1ccc(OC(F)(F)C(F)(F)F)cc1 ZINC000005578608 230369618 /nfs/dbraw/zinc/36/96/18/230369618.db2.gz MKBFCCDCVFHRLX-UHFFFAOYSA-N 0 0 257.114 3.129 50 5 CGBARN Cc1nc(N[C@@H](C)CC[C@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000096472190 230379064 /nfs/dbraw/zinc/37/90/64/230379064.db2.gz OHHLBMPDNXQEHD-CMPLNLGQSA-N 0 0 279.340 3.058 50 5 CGBARN CN(C(=O)/C=C\c1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000096797822 185114378 /nfs/dbraw/zinc/11/43/78/185114378.db2.gz BAMCZCFXPLRYTI-QXMHVHEDSA-N 0 0 288.347 3.399 50 5 CGBARN CCCCCN(c1ccc([N+](=O)[O-])cn1)C(C)C ZINC000079061544 345629370 /nfs/dbraw/zinc/62/93/70/345629370.db2.gz LNECYVHMIOACGG-UHFFFAOYSA-N 0 0 251.330 3.395 50 5 CGBARN CC(C)c1nnc(NCc2ccc([N+](=O)[O-])c(Cl)c2)o1 ZINC000170607193 346194859 /nfs/dbraw/zinc/19/48/59/346194859.db2.gz UJXTXMGVSAYWLV-UHFFFAOYSA-N 0 0 296.714 3.367 50 5 CGBARN Cc1cc(C)n(-c2cc(C)c3cccc([N+](=O)[O-])c3n2)n1 ZINC000000235923 368320275 /nfs/dbraw/zinc/32/02/75/368320275.db2.gz MXJVHBJLYNEESU-UHFFFAOYSA-N 0 0 282.303 3.254 50 5 CGBARN Cc1c(NC(=O)C2CCCCC2)cccc1[N+](=O)[O-] ZINC000000086071 368285426 /nfs/dbraw/zinc/28/54/26/368285426.db2.gz YQAYRYZQIFJVRB-UHFFFAOYSA-N 0 0 262.309 3.422 50 5 CGBARN Cc1c(C(=O)Nc2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000000102226 368289114 /nfs/dbraw/zinc/28/91/14/368289114.db2.gz NQPXCRXCEDUNCQ-UHFFFAOYSA-N 0 0 274.251 3.295 50 5 CGBARN Cc1ccc(/C=C/C(=O)Nc2cc([N+](=O)[O-])ccc2C)o1 ZINC000000106385 368292708 /nfs/dbraw/zinc/29/27/08/368292708.db2.gz YDLGYYXPNNAUDW-BQYQJAHWSA-N 0 0 286.287 3.457 50 5 CGBARN O=[N+]([O-])C1=Cc2ccccc2O[C@H]1c1ccc2c(c1)OCO2 ZINC000000140459 368299966 /nfs/dbraw/zinc/29/99/66/368299966.db2.gz MNOXMLFPCBCFJG-INIZCTEOSA-N 0 0 297.266 3.167 50 5 biogenic,in-vitro CGBARN CCC[C@@H](C)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000000456600 368371146 /nfs/dbraw/zinc/37/11/46/368371146.db2.gz ZTIAFSTUFTTWNL-MRVPVSSYSA-N 0 0 254.261 3.109 50 5 CGBARN COc1cccc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)c1 ZINC000000311820 368339490 /nfs/dbraw/zinc/33/94/90/368339490.db2.gz DWNMMYOWGIZRPO-UHFFFAOYSA-N 0 0 286.287 3.164 50 5 CGBARN CCC(CC)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000000466719 368372982 /nfs/dbraw/zinc/37/29/82/368372982.db2.gz GOVZVCOVXGIUGV-UHFFFAOYSA-N 0 0 250.298 3.278 50 5 CGBARN C[C@H]1CCCN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000000995167 368398722 /nfs/dbraw/zinc/39/87/22/368398722.db2.gz YRCYPHKIAUZZNY-VIFPVBQESA-N 0 0 282.727 3.120 50 5 CGBARN O=[N+]([O-])c1ccc(Sc2nc3ccccc3o2)nc1 ZINC000000480304 368376520 /nfs/dbraw/zinc/37/65/20/368376520.db2.gz ABQVVZTYWRASMI-UHFFFAOYSA-N 0 0 273.273 3.282 50 5 CGBARN O=C(NCc1cccs1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000001021565 368399955 /nfs/dbraw/zinc/39/99/55/368399955.db2.gz DAGBZGCKPFUENH-UHFFFAOYSA-N 0 0 296.735 3.240 50 5 CGBARN Cc1cc2nccc(-c3ccc(Cl)c([N+](=O)[O-])c3)n2n1 ZINC000001403933 368411922 /nfs/dbraw/zinc/41/19/22/368411922.db2.gz YPPJYLAKEAKYPC-UHFFFAOYSA-N 0 0 288.694 3.266 50 5 CGBARN CCOP(=O)(Cc1ccc([N+](=O)[O-])cc1)OCC ZINC000001631194 368424923 /nfs/dbraw/zinc/42/49/23/368424923.db2.gz FORMFFDDQMCTCT-UHFFFAOYSA-N 0 0 273.225 3.361 50 5 CGBARN CCCCOc1ccc(-c2ncc([N+](=O)[O-])cn2)cc1 ZINC000002265951 368451596 /nfs/dbraw/zinc/45/15/96/368451596.db2.gz VPFJVPVIBWFCLC-UHFFFAOYSA-N 0 0 273.292 3.231 50 5 CGBARN CCOc1cc(C[N+](=O)[O-])ccc1OCc1ccccc1 ZINC000003051900 368489394 /nfs/dbraw/zinc/48/93/94/368489394.db2.gz ATIHFEWRUGGMOR-UHFFFAOYSA-N 0 0 287.315 3.441 50 5 CGBARN Nc1cc2ccc1CCc1ccc(cc1[N+](=O)[O-])CC2 ZINC000003122323 368492278 /nfs/dbraw/zinc/49/22/78/368492278.db2.gz BWFBDEFZIAQCPW-UHFFFAOYSA-N 0 0 268.316 3.061 50 5 CGBARN Cc1ccc(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)o1 ZINC000004173281 368535011 /nfs/dbraw/zinc/53/50/11/368535011.db2.gz OKKPIGVGNNUGPT-UHFFFAOYSA-N 0 0 274.276 3.068 50 5 CGBARN CCN(C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000004127810 368532290 /nfs/dbraw/zinc/53/22/90/368532290.db2.gz RBOYFFGZSYTZME-UHFFFAOYSA-N 0 0 270.288 3.262 50 5 CGBARN Cc1c(C(=O)N(C)c2ccccc2)cccc1[N+](=O)[O-] ZINC000012817289 368629081 /nfs/dbraw/zinc/62/90/81/368629081.db2.gz NASILCLZZWGSSE-UHFFFAOYSA-N 0 0 270.288 3.180 50 5 CGBARN CCc1cccc(C)c1NC(=O)c1cc([N+](=O)[O-])cn1C ZINC000014199959 368677854 /nfs/dbraw/zinc/67/78/54/368677854.db2.gz HXGZFTKCYORFGW-UHFFFAOYSA-N 0 0 287.319 3.056 50 5 CGBARN C[C@]12CCCCC1=N[C@H](c1ccc([N+](=O)[O-])cc1)N2O ZINC000019606425 368758284 /nfs/dbraw/zinc/75/82/84/368758284.db2.gz RJFKUDLDCYFOQT-KBPBESRZSA-N 0 0 275.308 3.072 50 5 CGBARN CC(C)Cc1cc2c3ccccc3oc(=O)c2c(N)n1 ZINC000019447518 368753305 /nfs/dbraw/zinc/75/33/05/368753305.db2.gz MTQMEMJHYXUGQY-UHFFFAOYSA-N 0 0 268.316 3.122 50 5 biogenic CGBARN CCCC[C@@H](CC)CNc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000024765944 368836247 /nfs/dbraw/zinc/83/62/47/368836247.db2.gz RYDBOSPXRAKBOI-LLVKDONJSA-N 0 0 293.367 3.322 50 5 CGBARN O=[N+]([O-])c1ccc2c(c1)CCN2Cc1cccc(F)c1 ZINC000024984363 368838907 /nfs/dbraw/zinc/83/89/07/368838907.db2.gz QIUBUOIPADOAMO-UHFFFAOYSA-N 0 0 272.279 3.297 50 5 CGBARN O=[N+]([O-])c1cccc(COc2cccc(-c3nnco3)c2)c1 ZINC000029751257 368898433 /nfs/dbraw/zinc/89/84/33/368898433.db2.gz FFVPVFFDKHARIP-UHFFFAOYSA-N 0 0 297.270 3.224 50 5 CGBARN O=C1O[C@H](O)c2cccc3ccc4cccc1c4c32 ZINC000032236565 368929430 /nfs/dbraw/zinc/92/94/30/368929430.db2.gz FHNQXICDGGUJIP-HNNXBMFYSA-N 0 0 250.253 3.154 50 5 CGBARN O=C(Nc1ccc([N+](=O)[O-])cc1)N[C@H]1CCc2ccccc21 ZINC000032851139 368947570 /nfs/dbraw/zinc/94/75/70/368947570.db2.gz HSOMWFRHHZXKSW-HNNXBMFYSA-N 0 0 297.314 3.404 50 5 CGBARN O=[N+]([O-])c1ccc(N2CCNc3ccccc3C2)cc1 ZINC000032926976 368954041 /nfs/dbraw/zinc/95/40/41/368954041.db2.gz HKGGQQCBYVNNES-UHFFFAOYSA-N 0 0 269.304 3.027 50 5 CGBARN Cc1csc(NC(=O)/C=C\c2cccc([N+](=O)[O-])c2)n1 ZINC000033315256 368962436 /nfs/dbraw/zinc/96/24/36/368962436.db2.gz PAKDGOLXSUCPGU-WAYWQWQTSA-N 0 0 289.316 3.012 50 5 CGBARN Cc1noc(C)c1C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000047220978 369310517 /nfs/dbraw/zinc/31/05/17/369310517.db2.gz RCIXVWBXNSDTQU-UHFFFAOYSA-N 0 0 295.682 3.105 50 5 CGBARN O=[N+]([O-])c1ccc(NCc2ccc3c(c2)OCCO3)s1 ZINC000048999432 369381338 /nfs/dbraw/zinc/38/13/38/369381338.db2.gz ZPBLOWPWJYFWLU-UHFFFAOYSA-N 0 0 292.316 3.040 50 5 CGBARN O=C1CCCc2cc(Oc3ncccc3[N+](=O)[O-])ccc21 ZINC000065620951 369685847 /nfs/dbraw/zinc/68/58/47/369685847.db2.gz HQCDFIYTMOTYBV-UHFFFAOYSA-N 0 0 284.271 3.301 50 5 CGBARN O=[N+]([O-])c1cccc(OC(Cl)(Cl)Cl)c1F ZINC000095215407 370176547 /nfs/dbraw/zinc/17/65/47/370176547.db2.gz MMNZRUCRYFLFMH-UHFFFAOYSA-N 0 0 274.462 3.440 50 5 CGBARN Cc1c(C(=O)N[C@@H]2CCCC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000002883235 291525527 /nfs/dbraw/zinc/52/55/27/291525527.db2.gz WCNVQOKKYWGOMY-GXFFZTMASA-N 0 0 276.336 3.212 50 5 CGBARN Cc1ccnc(N2CCC[C@@H](c3ccccn3)C2)c1[N+](=O)[O-] ZINC000521398659 375875275 /nfs/dbraw/zinc/87/52/75/375875275.db2.gz XELMSMRWLCTMBK-CYBMUJFWSA-N 0 0 298.346 3.077 50 5 CGBARN COc1ccc2c(cc([N+](=O)[O-])n2C(=O)OC(C)(C)C)c1 ZINC000261494091 190039613 /nfs/dbraw/zinc/03/96/13/190039613.db2.gz PQCSMNSVEDGJLD-UHFFFAOYSA-N 0 0 292.291 3.341 50 5 CGBARN CCCN(C(=O)c1cscn1)c1cccc([N+](=O)[O-])c1 ZINC000194146582 375965576 /nfs/dbraw/zinc/96/55/76/375965576.db2.gz ZSABNAIHRAEUEA-UHFFFAOYSA-N 0 0 291.332 3.108 50 5 CGBARN O=C(Nc1ccc([N+](=O)[O-])c(F)c1)OCc1ccccc1 ZINC000261493982 190039858 /nfs/dbraw/zinc/03/98/58/190039858.db2.gz NEYOXBXALIAVRT-UHFFFAOYSA-N 0 0 290.250 3.483 50 5 CGBARN Cn1cc(-c2ccc([N+](=O)[O-])cc2)c(C=O)c1Cl ZINC000239562926 376773570 /nfs/dbraw/zinc/77/35/70/376773570.db2.gz LQRWWDMBCVCGKL-UHFFFAOYSA-N 0 0 264.668 3.066 50 5 CGBARN C[C@@H]1Cc2ccccc2N1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000000086016 169531047 /nfs/dbraw/zinc/53/10/47/169531047.db2.gz BGBZSEHDOFXGAO-GFCCVEGCSA-N 0 0 296.326 3.115 50 5 CGBARN O=[N+]([O-])c1ccc([C@@H]2Nc3ccc(F)cc3N2)s1 ZINC000000094491 169534227 /nfs/dbraw/zinc/53/42/27/169534227.db2.gz OGIOMNBTFYEIKM-LLVKDONJSA-N 0 0 265.269 3.332 50 5 CGBARN COc1ccc(-c2noc(-c3ccccc3[N+](=O)[O-])n2)cc1 ZINC000000469388 169649004 /nfs/dbraw/zinc/64/90/04/169649004.db2.gz UIEUFSASFPGVES-UHFFFAOYSA-N 0 0 297.270 3.320 50 5 CGBARN CC(=O)c1cccc(NC(=O)Nc2ccc([N+](=O)[O-])cc2)c1 ZINC000004079356 184531037 /nfs/dbraw/zinc/53/10/37/184531037.db2.gz YWJZMEUWGXURSE-UHFFFAOYSA-N 0 0 299.286 3.441 50 5 CGBARN O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1NC1CC1 ZINC000004687611 285085316 /nfs/dbraw/zinc/08/53/16/285085316.db2.gz CZBSAUXFQLIXPQ-UHFFFAOYSA-N 0 0 291.185 3.096 50 5 CGBARN O=[N+]([O-])c1ccc(F)cc1OC(Cl)(Cl)Cl ZINC000095215692 296505982 /nfs/dbraw/zinc/50/59/82/296505982.db2.gz RRQBBEUBEVQMRG-UHFFFAOYSA-N 0 0 274.462 3.440 50 5 CGBARN O=[N+]([O-])c1ccc(NC(=S)N2CCCCCC2)cc1 ZINC000005041267 296507414 /nfs/dbraw/zinc/50/74/14/296507414.db2.gz KPFMNELSVSVMLU-UHFFFAOYSA-N 0 0 279.365 3.168 50 5 CGBARN Cc1ccc2c(c1)sc(=N)n2Cc1ccc([N+](=O)[O-])cc1 ZINC000003880537 169919433 /nfs/dbraw/zinc/91/94/33/169919433.db2.gz SAGJUGJVZTUMRH-UHFFFAOYSA-N 0 0 299.355 3.447 50 5 CGBARN CCCCc1ccc(Nc2ncnc(N)c2[N+](=O)[O-])cc1 ZINC000003912730 169924438 /nfs/dbraw/zinc/92/44/38/169924438.db2.gz FKUCTJFVIBBUOZ-UHFFFAOYSA-N 0 0 287.323 3.053 50 5 CGBARN C[C@@H](CC(=O)Nc1ncc([N+](=O)[O-])s1)c1ccccc1 ZINC000004696152 170000142 /nfs/dbraw/zinc/00/01/42/170000142.db2.gz NRMXUVXZYCBQRM-VIFPVBQESA-N 0 0 291.332 3.184 50 5 CGBARN CCOc1ccc(-c2ccc(C=O)o2)cc1[N+](=O)[O-] ZINC000004740877 170008974 /nfs/dbraw/zinc/00/89/74/170008974.db2.gz YCVNWTOFLQQADR-UHFFFAOYSA-N 0 0 261.233 3.066 50 5 CGBARN C[C@@H]1CCC[C@H](NC(=O)OCc2ccc([N+](=O)[O-])cc2)C1 ZINC000005672675 170126735 /nfs/dbraw/zinc/12/67/35/170126735.db2.gz YSXYPPBKFNCCQB-YPMHNXCESA-N 0 0 292.335 3.400 50 5 CGBARN Cc1cccc(C(=O)Nc2ccc(N(C)C)cc2)c1[N+](=O)[O-] ZINC000006395821 170198002 /nfs/dbraw/zinc/19/80/02/170198002.db2.gz LYPHTGHMVIMGJA-UHFFFAOYSA-N 0 0 299.330 3.222 50 5 CGBARN CNc1ccc([N+](=O)[O-])cc1C(=O)NC1CCCCCC1 ZINC000007148548 170268851 /nfs/dbraw/zinc/26/88/51/170268851.db2.gz GQRRQQARVOUMMH-UHFFFAOYSA-N 0 0 291.351 3.089 50 5 CGBARN CN(c1ccc([N+](=O)[O-])cc1C=O)C1CCCCC1 ZINC000007719378 170299506 /nfs/dbraw/zinc/29/95/06/170299506.db2.gz OOYMKDNVQYYCNI-UHFFFAOYSA-N 0 0 262.309 3.176 50 5 CGBARN C[C@H](NC(=O)Nc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000009219373 170367121 /nfs/dbraw/zinc/36/71/21/170367121.db2.gz XPVWEUHZNFZKMT-NSHDSACASA-N 0 0 285.303 3.478 50 5 CGBARN O=C(Nc1ccccc1[N+](=O)[O-])N1CCc2ccccc2C1 ZINC000012822680 170513299 /nfs/dbraw/zinc/51/32/99/170513299.db2.gz QXUPCJZWFWZDJM-UHFFFAOYSA-N 0 0 297.314 3.185 50 5 CGBARN O=C(NC1CC1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000017122515 170726153 /nfs/dbraw/zinc/72/61/53/170726153.db2.gz LXTJTBKCCMYMDC-UHFFFAOYSA-N 0 0 297.314 3.231 50 5 CGBARN COc1ccccc1CCNc1ccccc1[N+](=O)[O-] ZINC000025285079 171452863 /nfs/dbraw/zinc/45/28/63/171452863.db2.gz CTBOACSEPILRCI-UHFFFAOYSA-N 0 0 272.304 3.258 50 5 CGBARN CCOCc1ccccc1CNc1ncccc1[N+](=O)[O-] ZINC000037500196 173237655 /nfs/dbraw/zinc/23/76/55/173237655.db2.gz RWGXNTKTZVNXGF-UHFFFAOYSA-N 0 0 287.319 3.138 50 5 CGBARN Cc1ccccc1CC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000040509286 174303562 /nfs/dbraw/zinc/30/35/62/174303562.db2.gz QPFTZDKEEMYSQQ-UHFFFAOYSA-N 0 0 298.342 3.104 50 5 CGBARN COc1cccc(OCCNc2ccc([N+](=O)[O-])cc2)c1 ZINC000045733444 175382827 /nfs/dbraw/zinc/38/28/27/175382827.db2.gz LZZPZAABEBODKH-UHFFFAOYSA-N 0 0 288.303 3.094 50 5 CGBARN CC(C)(C)CNc1ncc(Br)cc1[N+](=O)[O-] ZINC000042371395 275511718 /nfs/dbraw/zinc/51/17/18/275511718.db2.gz NZTNVXRTEOSMQV-UHFFFAOYSA-N 0 0 288.145 3.210 50 5 CGBARN COc1ccc(-c2nc3ccc([N+](=O)[O-])cc3o2)cc1 ZINC000000460997 277862449 /nfs/dbraw/zinc/86/24/49/277862449.db2.gz NIWJRFBOPRCZMD-UHFFFAOYSA-N 0 0 270.244 3.412 50 5 CGBARN O=C(Nc1nccs1)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000002172815 280066025 /nfs/dbraw/zinc/06/60/25/280066025.db2.gz XATSLBJZGRCJQP-UHFFFAOYSA-N 0 0 298.711 3.349 50 5 CGBARN O=[N+]([O-])c1ccc2c(c1)Oc1nc3ccccc3nc1N2 ZINC000008716993 280370633 /nfs/dbraw/zinc/37/06/33/280370633.db2.gz IUHXIOBAPXETIJ-UHFFFAOYSA-N 0 0 280.243 3.387 50 5 CGBARN Cc1cccc(C)c1NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000000272001 281210745 /nfs/dbraw/zinc/21/07/45/281210745.db2.gz SYBVKUZANDMWMA-UHFFFAOYSA-N 0 0 260.249 3.057 50 5 CGBARN Cc1nc(Cl)c([N+](=O)[O-])c(C)c1Br ZINC000096025019 293277811 /nfs/dbraw/zinc/27/78/11/293277811.db2.gz PSVFNQKLNOBJEX-UHFFFAOYSA-N 0 0 265.494 3.023 50 5 CGBARN Cc1c(C(=O)N2C[C@H](C)C[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000018024456 300934533 /nfs/dbraw/zinc/93/45/33/300934533.db2.gz MSMZPBGANVGFBL-PHIMTYICSA-N 0 0 276.336 3.021 50 5 CGBARN Cc1nc(NC(=O)c2cccc(C)c2[N+](=O)[O-])sc1C ZINC000009749207 302610025 /nfs/dbraw/zinc/61/00/25/302610025.db2.gz ZMUSOUXAURWPBW-UHFFFAOYSA-N 0 0 291.332 3.229 50 5 CGBARN COc1ccc(NCc2ccc([N+](=O)[O-])s2)cc1OC ZINC000000280185 327636796 /nfs/dbraw/zinc/63/67/96/327636796.db2.gz DGURWVJVMCSDJH-UHFFFAOYSA-N 0 0 294.332 3.286 50 5 CGBARN Cc1ccc(NC(=O)/C=C\c2ccc([N+](=O)[O-])o2)cc1 ZINC000097998610 618218187 /nfs/dbraw/zinc/21/81/87/618218187.db2.gz BRZRTQIYTKKVLG-VURMDHGXSA-N 0 0 272.260 3.148 50 5 CGBARN C[C@H](CNc1ccncc1[N+](=O)[O-])c1nc2ccccc2o1 ZINC000096446574 230374602 /nfs/dbraw/zinc/37/46/02/230374602.db2.gz FNLLUZLXIQUGHT-SNVBAGLBSA-N 0 0 298.302 3.347 50 5 CGBARN O=[N+]([O-])c1ccc(/C=C/c2ccc(O)c(F)c2)nc1 ZINC000095974991 185050023 /nfs/dbraw/zinc/05/00/23/185050023.db2.gz FSKRRROYRVQPLZ-HNQUOIGGSA-N 0 0 260.224 3.005 50 5 CGBARN Cc1ncc([N+](=O)[O-])n1Cc1c(Cl)cccc1Cl ZINC000015019247 282168669 /nfs/dbraw/zinc/16/86/69/282168669.db2.gz VSFNILBSACQJDB-UHFFFAOYSA-N 0 0 286.118 3.455 50 5 CGBARN CN(Cc1ccco1)C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000017790324 530008024 /nfs/dbraw/zinc/00/80/24/530008024.db2.gz LNEABGQVYKBNBJ-UHFFFAOYSA-N 0 0 294.694 3.113 50 5 CGBARN O=[N+]([O-])[C@@]1(F)C(c2ccccc2)=NOC12CCCCC2 ZINC000001029468 344855641 /nfs/dbraw/zinc/85/56/41/344855641.db2.gz PYGUIWBHWWGPDF-AWEZNQCLSA-N 0 0 278.283 3.066 50 5 CGBARN COc1ccc(C(=O)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000038126264 344954673 /nfs/dbraw/zinc/95/46/73/344954673.db2.gz QZRYDWIIQOTRSV-UHFFFAOYSA-N 0 0 271.272 3.029 50 5 CGBARN CC1N=C([N+](=O)[O-])C(=S)N1Cc1ccc(Cl)cc1 ZINC000136663265 346091430 /nfs/dbraw/zinc/09/14/30/346091430.db2.gz ULLBGFAWYFBCJZ-UHFFFAOYSA-N 0 0 283.740 3.090 50 5 CGBARN COc1cc(N[C@@H](C)c2cccc(O)c2)ccc1[N+](=O)[O-] ZINC000174720424 138421213 /nfs/dbraw/zinc/42/12/13/138421213.db2.gz YHSFRDHJBLWGNF-JTQLQIEISA-N 0 0 288.303 3.482 50 5 CGBARN Cc1ccnc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000000225365 368318723 /nfs/dbraw/zinc/31/87/23/368318723.db2.gz ZPXQNFOOIYUOSR-UHFFFAOYSA-N 0 0 291.694 3.204 50 5 CGBARN O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000000439075 368366755 /nfs/dbraw/zinc/36/67/55/368366755.db2.gz UMOVUUSYZDWHEX-UHFFFAOYSA-N 0 0 278.214 3.125 50 5 CGBARN Cc1cc(C(=O)Nc2ccc(N(C)C)cc2)ccc1[N+](=O)[O-] ZINC000000442442 368367539 /nfs/dbraw/zinc/36/75/39/368367539.db2.gz MXLPKWAZWAYKOG-UHFFFAOYSA-N 0 0 299.330 3.222 50 5 CGBARN COc1ccc([N+](=O)[O-])cc1NCc1ccc(F)c(F)c1 ZINC000000292779 368334548 /nfs/dbraw/zinc/33/45/48/368334548.db2.gz UMAPOOJIIXFWNH-UHFFFAOYSA-N 0 0 294.257 3.494 50 5 CGBARN O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccccc1Cl ZINC000000291954 368334674 /nfs/dbraw/zinc/33/46/74/368334674.db2.gz NTZWIUKHSSDWMV-UHFFFAOYSA-N 0 0 290.706 3.429 50 5 CGBARN O=C(Nc1cccc([N+](=O)[O-])c1)c1c(F)cccc1F ZINC000000297866 368335507 /nfs/dbraw/zinc/33/55/07/368335507.db2.gz QCVSMYWOKQQNCW-UHFFFAOYSA-N 0 0 278.214 3.125 50 5 CGBARN COc1cccc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)c1 ZINC000000437547 368366127 /nfs/dbraw/zinc/36/61/27/368366127.db2.gz YHWNZULYVIQJRN-CMDGGOBGSA-N 0 0 298.298 3.255 50 5 CGBARN O=C(c1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000001020912 368400442 /nfs/dbraw/zinc/40/04/42/368400442.db2.gz UIFLHGMKOCKTAP-WFASDCNBSA-N 0 0 288.347 3.390 50 5 CGBARN C[C@@H]1CCCN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000000995168 368398715 /nfs/dbraw/zinc/39/87/15/368398715.db2.gz YRCYPHKIAUZZNY-SECBINFHSA-N 0 0 282.727 3.120 50 5 CGBARN Nc1ccccc1Sc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000001656377 368427783 /nfs/dbraw/zinc/42/77/83/368427783.db2.gz NJAHRSCGCZDFPB-UHFFFAOYSA-N 0 0 291.288 3.236 50 5 CGBARN Nc1cc2c(cc1Cl)-c1ccc([N+](=O)[O-])cc1C2=O ZINC000001696174 368433074 /nfs/dbraw/zinc/43/30/74/368433074.db2.gz YTPYWVHFGOCYEL-UHFFFAOYSA-N 0 0 274.663 3.042 50 5 CGBARN COc1ccccc1NC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000002640223 368471505 /nfs/dbraw/zinc/47/15/05/368471505.db2.gz SLSYNSWKFCRCRR-UHFFFAOYSA-N 0 0 287.275 3.247 50 5 CGBARN CN(C(=O)/C=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000003069572 368489456 /nfs/dbraw/zinc/48/94/56/368489456.db2.gz UCTYMEYCTHKFJF-ZHACJKMWSA-N 0 0 282.299 3.271 50 5 CGBARN CCCC[C@@H]1C[C@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000004125220 368532112 /nfs/dbraw/zinc/53/21/12/368532112.db2.gz MXDIEQXRHCTJFQ-ZWNOBZJWSA-N 0 0 262.309 3.360 50 5 CGBARN CCCCCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000003877751 368522273 /nfs/dbraw/zinc/52/22/73/368522273.db2.gz UTSYFOWTGKGGAG-UHFFFAOYSA-N 0 0 267.285 3.495 50 5 CGBARN Cc1cccc(C(=O)Nc2ccc([N+](=O)[O-])cc2)c1 ZINC000004576286 368551608 /nfs/dbraw/zinc/55/16/08/368551608.db2.gz MPEPLCORQWBDGB-UHFFFAOYSA-N 0 0 256.261 3.156 50 5 CGBARN CC1(C)Oc2ccc(Nc3ncccc3[N+](=O)[O-])cc2O1 ZINC000004624020 368553335 /nfs/dbraw/zinc/55/33/35/368553335.db2.gz CTCLFGMWEFMSHV-UHFFFAOYSA-N 0 0 287.275 3.241 50 5 CGBARN Cc1cccc(CNC(=O)/C=C/c2cccc([N+](=O)[O-])c2)c1 ZINC000010447430 368582360 /nfs/dbraw/zinc/58/23/60/368582360.db2.gz AIJACEMGKKIPMO-CMDGGOBGSA-N 0 0 296.326 3.233 50 5 CGBARN O=C(N[C@@H](c1ccccc1)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000011201382 368589189 /nfs/dbraw/zinc/58/91/89/368589189.db2.gz HTPXWWPHMPCWPA-INIZCTEOSA-N 0 0 296.326 3.476 50 5 CGBARN O=C(NCC1(c2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000011749938 368595578 /nfs/dbraw/zinc/59/55/78/368595578.db2.gz ABANIRNJFGRMEF-UHFFFAOYSA-N 0 0 296.326 3.056 50 5 CGBARN CC(=O)c1ccc(Oc2nc3ccccn3c2[N+](=O)[O-])cc1 ZINC000012629918 368622682 /nfs/dbraw/zinc/62/26/82/368622682.db2.gz SCSBLIFSUNCWJE-UHFFFAOYSA-N 0 0 297.270 3.237 50 5 CGBARN CC(C)(C)CCNC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000027363918 368871829 /nfs/dbraw/zinc/87/18/29/368871829.db2.gz OMXDRCBOWCWKTH-UHFFFAOYSA-N 0 0 284.743 3.414 50 5 CGBARN Cc1nc(-c2cccc(Oc3ncccc3[N+](=O)[O-])c2)no1 ZINC000032913362 368952511 /nfs/dbraw/zinc/95/25/11/368952511.db2.gz OQLGWILFFRXGPW-UHFFFAOYSA-N 0 0 298.258 3.141 50 5 CGBARN O=[N+]([O-])c1ccnn1Cc1c(Cl)cccc1Cl ZINC000048706000 369367254 /nfs/dbraw/zinc/36/72/54/369367254.db2.gz LASSWPLBYAMWPD-UHFFFAOYSA-N 0 0 272.091 3.146 50 5 CGBARN O=C(OCCc1cccs1)c1ccc([N+](=O)[O-])cc1 ZINC000065663662 369685300 /nfs/dbraw/zinc/68/53/00/369685300.db2.gz HBTGYTMFCQDSDB-UHFFFAOYSA-N 0 0 277.301 3.056 50 5 CGBARN COc1cccc(CN2CCc3c2cccc3[N+](=O)[O-])c1 ZINC000089470027 370041646 /nfs/dbraw/zinc/04/16/46/370041646.db2.gz GLABZROYEPERBL-UHFFFAOYSA-N 0 0 284.315 3.166 50 5 CGBARN CC(C)c1nnc(NCc2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000097085388 370223337 /nfs/dbraw/zinc/22/33/37/370223337.db2.gz ZPZCKSPWMJXUOK-UHFFFAOYSA-N 0 0 296.714 3.367 50 5 CGBARN CCOc1cccc(NCc2cccc(C)n2)c1[N+](=O)[O-] ZINC000097085150 370223753 /nfs/dbraw/zinc/22/37/53/370223753.db2.gz WURNQRYTXDZYCP-UHFFFAOYSA-N 0 0 287.319 3.309 50 5 CGBARN Cc1cc([C@](C)(O)CNc2ccc([N+](=O)[O-])s2)c(C)o1 ZINC000078308219 541915270 /nfs/dbraw/zinc/91/52/70/541915270.db2.gz FXOPUSWBCPEFFL-CYBMUJFWSA-N 0 0 296.348 3.186 50 5 CGBARN Cc1cc(OC(F)F)cc([N+](=O)[O-])c1Br ZINC000263624022 190070716 /nfs/dbraw/zinc/07/07/16/190070716.db2.gz MRICLCHWOHGTIN-UHFFFAOYSA-N 0 0 282.040 3.267 50 5 CGBARN Cc1c(OC(F)F)ccc(Br)c1[N+](=O)[O-] ZINC000263624559 190070830 /nfs/dbraw/zinc/07/08/30/190070830.db2.gz ROWLBDXQTGZSKQ-UHFFFAOYSA-N 0 0 282.040 3.267 50 5 CGBARN CCc1ccc(OC(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000000038616 169513289 /nfs/dbraw/zinc/51/32/89/169513289.db2.gz HEXJNSZLXBPWDD-UHFFFAOYSA-N 0 0 271.272 3.376 50 5 CGBARN Cc1noc(/C=C/c2ccc(F)cc2F)c1[N+](=O)[O-] ZINC000000106397 169538481 /nfs/dbraw/zinc/53/84/81/169538481.db2.gz WADJFVSCYHIXIK-HWKANZROSA-N 0 0 266.203 3.340 50 5 CGBARN Cc1ccc(C(=O)OCc2ccccc2)cc1[N+](=O)[O-] ZINC000000241280 169584285 /nfs/dbraw/zinc/58/42/85/169584285.db2.gz PNMMUHNFJSEHCU-UHFFFAOYSA-N 0 0 271.272 3.260 50 5 CGBARN CCC[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000000457258 169645633 /nfs/dbraw/zinc/64/56/33/169645633.db2.gz DNGCKAOEMWTIES-QMMMGPOBSA-N 0 0 254.261 3.109 50 5 CGBARN O=C1c2ccccc2C[N@@+]1([O-])c1ccc(Cl)cc1 ZINC000247397636 285024226 /nfs/dbraw/zinc/02/42/26/285024226.db2.gz MOVYGUKRSLLDKU-MRXNPFEDSA-N 0 0 259.692 3.499 50 5 CGBARN O=[N+]([O-])c1ccc(Br)cc1OC(F)(F)F ZINC000095215743 285109912 /nfs/dbraw/zinc/10/99/12/285109912.db2.gz OJRXNVCEAFEGSZ-UHFFFAOYSA-N 0 0 286.003 3.256 50 5 CGBARN Cc1ccc(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)cc1 ZINC000028026883 391955001 /nfs/dbraw/zinc/95/50/01/391955001.db2.gz PCRJLDRNZJNZJN-UHFFFAOYSA-N 0 0 296.286 3.032 50 5 CGBARN COc1ccc([C@@H]2Oc3ccccc3C[C@@H]2[N+](=O)[O-])cc1 ZINC000252618426 393124767 /nfs/dbraw/zinc/12/47/67/393124767.db2.gz LGGXIMSJUQRDQF-HOCLYGCPSA-N 0 0 285.299 3.017 50 5 CGBARN O=[N+]([O-])c1cc(Br)cc(Cl)c1F ZINC000091252304 296497569 /nfs/dbraw/zinc/49/75/69/296497569.db2.gz PNEWAZPHMNCPPO-UHFFFAOYSA-N 0 0 254.442 3.150 50 5 CGBARN O=[N+]([O-])c1ccc(Cl)c(Br)c1F ZINC000261493425 296504359 /nfs/dbraw/zinc/50/43/59/296504359.db2.gz ASEOPGXIVPDOJN-UHFFFAOYSA-N 0 0 254.442 3.150 50 5 CGBARN COC(=O)/C(=C\c1cccs1)c1ccc([N+](=O)[O-])s1 ZINC000104141749 397650021 /nfs/dbraw/zinc/65/00/21/397650021.db2.gz RRGPUXBUFDIWOX-CLFYSBASSA-N 0 0 295.341 3.431 50 5 CGBARN O=C(c1ccccc1[N+](=O)[O-])N1CCCCCCC1 ZINC000003100407 169855512 /nfs/dbraw/zinc/85/55/12/169855512.db2.gz SNNGEKNGQVNMFL-UHFFFAOYSA-N 0 0 262.309 3.001 50 5 CGBARN Cc1ccc(C)c(Nc2ccc([N+](=O)[O-])c3nonc32)c1 ZINC000003879022 169919114 /nfs/dbraw/zinc/91/91/14/169919114.db2.gz RIBYKGHUDQRONT-UHFFFAOYSA-N 0 0 284.275 3.491 50 5 CGBARN COc1cc([N+](=O)[O-])ccc1NC(=O)c1ccc(C)cc1 ZINC000004795525 170018603 /nfs/dbraw/zinc/01/86/03/170018603.db2.gz XSTLPOGOHREKFL-UHFFFAOYSA-N 0 0 286.287 3.164 50 5 CGBARN O=[N+]([O-])c1ccc(/C=C\c2ccco2)c([N+](=O)[O-])c1 ZINC000004795987 170018771 /nfs/dbraw/zinc/01/87/71/170018771.db2.gz GSRSVSNIHAMBGK-XQRVVYSFSA-N 0 0 260.205 3.266 50 5 CGBARN O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1F ZINC000004855894 170030997 /nfs/dbraw/zinc/03/09/97/170030997.db2.gz QCPUKZYDNYDEGC-UHFFFAOYSA-N 0 0 278.214 3.125 50 5 CGBARN O=[N+]([O-])c1ccc2nonc2c1Nc1ccc(F)cc1 ZINC000004918339 170041124 /nfs/dbraw/zinc/04/11/24/170041124.db2.gz CXSAURVSZAMFCM-UHFFFAOYSA-N 0 0 274.211 3.014 50 5 CGBARN Cc1cc(NC(=O)c2ccccc2)c([N+](=O)[O-])cc1C ZINC000004950005 170044381 /nfs/dbraw/zinc/04/43/81/170044381.db2.gz FWYFKFICZHVTHS-UHFFFAOYSA-N 0 0 270.288 3.464 50 5 CGBARN CC(C)Oc1ccc(/C=C\[N+](=O)[O-])cc1Br ZINC000005059370 170062143 /nfs/dbraw/zinc/06/21/43/170062143.db2.gz VWCQLSNCTGQALQ-WAYWQWQTSA-N 0 0 286.125 3.484 50 5 CGBARN O=C(Nc1ccc2c(c1)CCC2)c1ccccc1[N+](=O)[O-] ZINC000006236252 170184544 /nfs/dbraw/zinc/18/45/44/170184544.db2.gz ZIDDRKBKJRWGNC-UHFFFAOYSA-N 0 0 282.299 3.336 50 5 CGBARN Cc1nn(Cc2ncc(-c3ccccc3)o2)c(C)c1[N+](=O)[O-] ZINC000006602646 170218363 /nfs/dbraw/zinc/21/83/63/170218363.db2.gz XOSRFCBOZNZJKZ-UHFFFAOYSA-N 0 0 298.302 3.111 50 5 CGBARN COc1cc(C)c(Nc2ncccc2[N+](=O)[O-])cc1OC ZINC000007186400 170270532 /nfs/dbraw/zinc/27/05/32/170270532.db2.gz GFFWGADEMPDIAY-UHFFFAOYSA-N 0 0 289.291 3.059 50 5 CGBARN C[C@H](Sc1nncs1)c1cccc([N+](=O)[O-])c1 ZINC000007815972 170304033 /nfs/dbraw/zinc/30/40/33/170304033.db2.gz ZWTRZDUZXYJUBJ-ZETCQYMHSA-N 0 0 267.335 3.300 50 5 CGBARN C[C@@H](Sc1nncs1)c1cccc([N+](=O)[O-])c1 ZINC000007815975 170304066 /nfs/dbraw/zinc/30/40/66/170304066.db2.gz ZWTRZDUZXYJUBJ-SSDOTTSWSA-N 0 0 267.335 3.300 50 5 CGBARN O=[N+]([O-])c1ccc(S(=O)(=O)/C=C/c2ccsc2)cc1 ZINC000007912075 170307399 /nfs/dbraw/zinc/30/73/99/170307399.db2.gz IQKWIWSTANYYPQ-SOFGYWHQSA-N 0 0 295.341 3.101 50 5 CGBARN CCNc1ccc(-c2nc(C(C)C)no2)cc1[N+](=O)[O-] ZINC000020898126 171278664 /nfs/dbraw/zinc/27/86/64/171278664.db2.gz FFIHOGJIYJRTLK-UHFFFAOYSA-N 0 0 276.296 3.200 50 5 CGBARN CN(Cc1ccccc1[N+](=O)[O-])C(=O)CCc1ccccc1 ZINC000040509269 174303337 /nfs/dbraw/zinc/30/33/37/174303337.db2.gz YKNLKIGKTAKLPU-UHFFFAOYSA-N 0 0 298.342 3.186 50 5 CGBARN O=[N+]([O-])c1ccc([C@H](O)Cc2ccnc3ccccc23)cc1 ZINC000071771090 176262441 /nfs/dbraw/zinc/26/24/41/176262441.db2.gz CLGFBSSOIWDRQK-QGZVFWFLSA-N 0 0 294.310 3.419 50 5 CGBARN O=C(Nc1ccsc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000084414436 416495856 /nfs/dbraw/zinc/49/58/56/416495856.db2.gz BMVCJVUKFUESJP-UHFFFAOYSA-N 0 0 263.278 3.300 50 5 CGBARN O=[N+]([O-])c1ccc(-c2nnc(-c3ccccc3F)o2)cc1 ZINC000000276075 261177112 /nfs/dbraw/zinc/17/71/12/261177112.db2.gz CNOCWFZVKPHLPT-UHFFFAOYSA-N 0 0 285.234 3.451 50 5 CGBARN Cc1c(Cl)c([N+](=O)[O-])cc([N+](=O)[O-])c1Cl ZINC000007871178 280229669 /nfs/dbraw/zinc/22/96/69/280229669.db2.gz JPOQYGXPWJDBLY-UHFFFAOYSA-N 0 0 251.025 3.118 50 5 CGBARN O=[N+]([O-])c1ccc(-n2cnc3ccccc32)c(F)c1 ZINC000168521124 275034864 /nfs/dbraw/zinc/03/48/64/275034864.db2.gz GCHDEEQMZZEMNX-UHFFFAOYSA-N 0 0 257.224 3.073 50 5 CGBARN CC(C)(C)c1n[nH]cc1C=Cc1ccc([N+](=O)[O-])cn1 ZINC000222090486 275537868 /nfs/dbraw/zinc/53/78/68/275537868.db2.gz RTGMFSKNQSWRNZ-PLNGDYQASA-N 0 0 272.308 3.181 50 5 CGBARN COC(=O)c1cc(N2C[C@H](C)CC2(C)C)ccc1[N+](=O)[O-] ZINC000225543450 277152408 /nfs/dbraw/zinc/15/24/08/277152408.db2.gz ZOYXIXIQIMPHQZ-SNVBAGLBSA-N 0 0 292.335 3.006 50 5 CGBARN COc1cc([N+](=O)[O-])cc2c(C(F)(F)F)coc21 ZINC000096113478 277839771 /nfs/dbraw/zinc/83/97/71/277839771.db2.gz SVPUNIVMKPFRFB-UHFFFAOYSA-N 0 0 261.155 3.368 50 5 CGBARN Cc1cc(CN(Cc2ccccc2[N+](=O)[O-])C2CC2)no1 ZINC000095432399 278685850 /nfs/dbraw/zinc/68/58/50/278685850.db2.gz CRJCCRZDKZPIGR-UHFFFAOYSA-N 0 0 287.319 3.056 50 5 CGBARN CC(C)C[C@@H]1CCCCN1c1ncccc1[N+](=O)[O-] ZINC000075110726 279021796 /nfs/dbraw/zinc/02/17/96/279021796.db2.gz DEJXKYNDBURZDU-LBPRGKRZSA-N 0 0 263.341 3.395 50 5 CGBARN O=[N+]([O-])c1cc(Br)c(Br)cc1F ZINC000263623901 280355226 /nfs/dbraw/zinc/35/52/26/280355226.db2.gz LRCZUASJNJXPAY-UHFFFAOYSA-N 0 0 298.893 3.259 50 5 CGBARN Cc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)oc1C ZINC000000608454 280367015 /nfs/dbraw/zinc/36/70/15/280367015.db2.gz VMAITWAKRIQRGG-UHFFFAOYSA-N 0 0 274.276 3.365 50 5 CGBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(F)cc1 ZINC000000302154 281018915 /nfs/dbraw/zinc/01/89/15/281018915.db2.gz BYJWPWGVESKTLH-UHFFFAOYSA-N 0 0 274.251 3.295 50 5 CGBARN COc1cccc(NCc2ccc([N+](=O)[O-])s2)c1 ZINC000000280217 330223973 /nfs/dbraw/zinc/22/39/73/330223973.db2.gz XSUHNVWUVIMQIB-UHFFFAOYSA-N 0 0 264.306 3.277 50 5 aggregator CGBARN CCOc1cc([N+](=O)[O-])cc(C(F)(F)F)c1F ZINC000261494173 570235428 /nfs/dbraw/zinc/23/54/28/570235428.db2.gz RLWLNUVIRRPIDM-UHFFFAOYSA-N 0 0 253.151 3.151 50 5 CGBARN Cc1cc(N(C)C(=O)C2CCCCC2)ccc1[N+](=O)[O-] ZINC000084101500 570334927 /nfs/dbraw/zinc/33/49/27/570334927.db2.gz JPXJOWGJOROUBL-UHFFFAOYSA-N 0 0 276.336 3.446 50 5 CGBARN CC[C@@]1(C)CCN(C(=O)/C=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000098056565 618243937 /nfs/dbraw/zinc/24/39/37/618243937.db2.gz PRHYLBIKCRRTLV-PTZVLDCSSA-N 0 0 288.347 3.257 50 5 CGBARN O=[N+]([O-])c1ccc(/C=C/c2ccnnc2)c(Cl)c1 ZINC000096009387 640818810 /nfs/dbraw/zinc/81/88/10/640818810.db2.gz YQNRYPQWBKIYMM-OWOJBTEDSA-N 0 0 261.668 3.209 50 5 CGBARN Cc1cccc(CNC(=O)/C=C\c2cccc([N+](=O)[O-])c2)c1 ZINC000096997690 185150101 /nfs/dbraw/zinc/15/01/01/185150101.db2.gz AIJACEMGKKIPMO-HJWRWDBZSA-N 0 0 296.326 3.233 50 5 CGBARN O=[N+]([O-])c1ccc2[nH]c(CO)c(-c3ccccc3)c2c1 ZINC000196410627 346275664 /nfs/dbraw/zinc/27/56/64/346275664.db2.gz LLXLUJIFPYOTJD-UHFFFAOYSA-N 0 0 268.272 3.235 50 5 CGBARN Cn1c2ccc([N+](=O)[O-])cc2nc1-c1cccs1 ZINC000075272783 282599567 /nfs/dbraw/zinc/59/95/67/282599567.db2.gz BTZAKRSIYMGOKV-UHFFFAOYSA-N 0 0 259.290 3.210 50 5 CGBARN CC(=O)c1ccc(CNc2ccc([N+](=O)[O-])cc2)nc1C ZINC000091624075 180209430 /nfs/dbraw/zinc/20/94/30/180209430.db2.gz UBQAIGLQXPBDCC-UHFFFAOYSA-N 0 0 285.303 3.113 50 5 CGBARN Cc1c(NC(=O)N[C@@H](C)C(C)(F)F)cccc1[N+](=O)[O-] ZINC000454208014 241010343 /nfs/dbraw/zinc/01/03/43/241010343.db2.gz WQOQRPVHIQPMRR-QMMMGPOBSA-N 0 0 287.266 3.068 50 5 CGBARN C[C@H]1CCCCN1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000209582 368315628 /nfs/dbraw/zinc/31/56/28/368315628.db2.gz VZWSOLNGXWPCFO-VIFPVBQESA-N 0 0 282.727 3.263 50 5 CGBARN Cc1c(C(=O)NC2CCCCCC2)cccc1[N+](=O)[O-] ZINC000000209577 368315903 /nfs/dbraw/zinc/31/59/03/368315903.db2.gz IWCVRSCNAZASCE-UHFFFAOYSA-N 0 0 276.336 3.356 50 5 CGBARN Cc1cccc(C(=O)Nc2cc([N+](=O)[O-])ccc2F)c1 ZINC000000038682 368274350 /nfs/dbraw/zinc/27/43/50/368274350.db2.gz NYWOKPIPFJKSFW-UHFFFAOYSA-N 0 0 274.251 3.295 50 5 CGBARN O=Cc1ccc(OC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1 ZINC000000060020 368280458 /nfs/dbraw/zinc/28/04/58/368280458.db2.gz JLJJSJNBZGPGHO-BJMVGYQFSA-N 0 0 297.266 3.026 50 5 biogenic CGBARN O=[N+]([O-])c1cccnc1Sc1nc2cccnc2s1 ZINC000000079087 368284478 /nfs/dbraw/zinc/28/44/78/368284478.db2.gz QGKNODODKURACC-UHFFFAOYSA-N 0 0 290.329 3.146 50 5 CGBARN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccco1 ZINC000000101726 368289258 /nfs/dbraw/zinc/28/92/58/368289258.db2.gz CYKZXCDSJNBIMA-UHFFFAOYSA-N 0 0 266.640 3.094 50 5 CGBARN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000000103303 368290888 /nfs/dbraw/zinc/29/08/88/368290888.db2.gz HYYSQFKMJYMIOP-NSHDSACASA-N 0 0 270.288 3.086 50 5 CGBARN O=C(NC1CCCCC1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000102885 368291261 /nfs/dbraw/zinc/29/12/61/368291261.db2.gz NXILMCJKLLFJES-UHFFFAOYSA-N 0 0 282.727 3.311 50 5 CGBARN COC(=O)c1sccc1-c1ccc(/C=C/[N+](=O)[O-])o1 ZINC000000109614 368292523 /nfs/dbraw/zinc/29/25/23/368292523.db2.gz JIAGGNSLDSCFSX-GQCTYLIASA-N 0 0 279.273 3.042 50 5 CGBARN CC(=O)c1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000000146673 368302084 /nfs/dbraw/zinc/30/20/84/368302084.db2.gz XNCXPVFLVLGIDG-UHFFFAOYSA-N 0 0 284.271 3.050 50 5 CGBARN CC(=O)c1cccc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)c1 ZINC000000439154 368366474 /nfs/dbraw/zinc/36/64/74/368366474.db2.gz UTNPBHHPHOLORI-UHFFFAOYSA-N 0 0 298.298 3.358 50 5 CGBARN Cc1cc(C(=O)Nc2ccc(F)cc2F)ccc1[N+](=O)[O-] ZINC000000438573 368366688 /nfs/dbraw/zinc/36/66/88/368366688.db2.gz DMFBPWOAFFCOPE-UHFFFAOYSA-N 0 0 292.241 3.434 50 5 CGBARN C[C@@H](CCc1ccccc1)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000000454893 368369626 /nfs/dbraw/zinc/36/96/26/368369626.db2.gz NUMGUMBLMUQEKK-ZDUSSCGKSA-N 0 0 298.342 3.346 50 5 CGBARN Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC000000250238 368325503 /nfs/dbraw/zinc/32/55/03/368325503.db2.gz GRXXJCZPIZCZRU-UHFFFAOYSA-N 0 0 262.290 3.217 50 5 CGBARN O=C(NCc1ccccc1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000000288728 368333249 /nfs/dbraw/zinc/33/32/49/368333249.db2.gz RJJVFCLRUMMJCK-UHFFFAOYSA-N 0 0 290.706 3.178 50 5 CGBARN CCC(CC)NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000000456389 368371435 /nfs/dbraw/zinc/37/14/35/368371435.db2.gz XSCOWNVFPXTDEQ-UHFFFAOYSA-N 0 0 270.716 3.167 50 5 CGBARN C[C@H]1C[C@H](C)CN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000000304748 368337501 /nfs/dbraw/zinc/33/75/01/368337501.db2.gz SLHVDARZXWSAPZ-UWVGGRQHSA-N 0 0 296.754 3.366 50 5 CGBARN Cc1cccc(NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2)n1 ZINC000000472034 368374001 /nfs/dbraw/zinc/37/40/01/368374001.db2.gz GDEWFJDQIBLKEB-LLVKDONJSA-N 0 0 285.303 3.040 50 5 CGBARN O=C(c1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1 ZINC000002392552 368455166 /nfs/dbraw/zinc/45/51/66/368455166.db2.gz CZEUNQYRHILGSZ-UHFFFAOYSA-N 0 0 261.664 3.479 50 5 CGBARN Cc1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000002790570 368478547 /nfs/dbraw/zinc/47/85/47/368478547.db2.gz ZTEIFCYDAOIWNE-UHFFFAOYSA-N 0 0 284.315 3.393 50 5 CGBARN O=C(/C=C/c1cccc([N+](=O)[O-])c1)OCc1ccccc1 ZINC000003104048 368491079 /nfs/dbraw/zinc/49/10/79/368491079.db2.gz KOOAFKKJIYPRPA-MDZDMXLPSA-N 0 0 283.283 3.351 50 5 CGBARN O=C(/C=C/c1ccccc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000004012111 368526088 /nfs/dbraw/zinc/52/60/88/368526088.db2.gz AYXKBTUZYMUPEC-IZZDOVSWSA-N 0 0 268.272 3.247 50 5 CGBARN O=[N+]([O-])c1ccccc1SNc1ccc2c(c1)OCO2 ZINC000004159241 368534186 /nfs/dbraw/zinc/53/41/86/368534186.db2.gz WSLQONDAYFDDPC-UHFFFAOYSA-N 0 0 290.300 3.443 50 5 CGBARN COc1ccc(Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000003877463 368521938 /nfs/dbraw/zinc/52/19/38/368521938.db2.gz CXYDBMSOXLXDAC-UHFFFAOYSA-N 0 0 289.247 3.255 50 5 CGBARN COc1ccc(NC(=O)c2sccc2C)c([N+](=O)[O-])c1 ZINC000004647143 368554647 /nfs/dbraw/zinc/55/46/47/368554647.db2.gz MBQHDLARKZAXKD-UHFFFAOYSA-N 0 0 292.316 3.226 50 5 CGBARN CN(Cc1cccc(F)c1)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000012750207 368625461 /nfs/dbraw/zinc/62/54/61/368625461.db2.gz GHNSPXBWAZTJOU-UHFFFAOYSA-N 0 0 288.278 3.006 50 5 CGBARN CN(Cc1ccccc1Cl)c1ccc([N+](=O)[O-])cn1 ZINC000012952950 368636218 /nfs/dbraw/zinc/63/62/18/368636218.db2.gz YVDXENVOXDTMBT-UHFFFAOYSA-N 0 0 277.711 3.280 50 5 CGBARN CCc1ccc(NC(=O)c2ccoc2C)cc1[N+](=O)[O-] ZINC000027313109 368870107 /nfs/dbraw/zinc/87/01/07/368870107.db2.gz XPTTWNFTWKSBAP-UHFFFAOYSA-N 0 0 274.276 3.311 50 5 CGBARN CCc1ccc(NC(=O)CC(C)C)cc1[N+](=O)[O-] ZINC000027318143 368870120 /nfs/dbraw/zinc/87/01/20/368870120.db2.gz SMXPRLKYQBWGMJ-UHFFFAOYSA-N 0 0 250.298 3.142 50 5 CGBARN COc1ccc([N+](=O)[O-])cc1NC(=O)/C=C\c1ccccc1 ZINC000033281745 368961497 /nfs/dbraw/zinc/96/14/97/368961497.db2.gz GJWJVLBLBWRSOE-YFHOEESVSA-N 0 0 298.298 3.255 50 5 CGBARN O=C1CCc2cc(OCc3cccc([N+](=O)[O-])c3)ccc2N1 ZINC000058024058 369553546 /nfs/dbraw/zinc/55/35/46/369553546.db2.gz HKWIXUZVOPTPDS-UHFFFAOYSA-N 0 0 298.298 3.059 50 5 CGBARN O=[N+]([O-])c1ccc(NC23CC4CC(CC(C4)C2)C3)nc1 ZINC000059382407 369581062 /nfs/dbraw/zinc/58/10/62/369581062.db2.gz RMSQICIPJUILIS-UHFFFAOYSA-N 0 0 273.336 3.371 50 5 CGBARN O=C(Nc1ccc(Cl)nc1)c1cc(F)ccc1[N+](=O)[O-] ZINC000069774415 369771220 /nfs/dbraw/zinc/77/12/20/369771220.db2.gz ZYXHHSJOGGJXLG-UHFFFAOYSA-N 0 0 295.657 3.035 50 5 CGBARN CC(C)Cn1cc(NCc2cccc([N+](=O)[O-])c2)cn1 ZINC000090200070 370056346 /nfs/dbraw/zinc/05/63/46/370056346.db2.gz HZYKTUQEZYDUAU-UHFFFAOYSA-N 0 0 274.324 3.059 50 5 CGBARN O=[N+]([O-])c1cccc(CCNc2ncnc3ccccc32)c1 ZINC000170590969 372640192 /nfs/dbraw/zinc/64/01/92/372640192.db2.gz VIZLIPFNMWXUPQ-UHFFFAOYSA-N 0 0 294.314 3.193 50 5 CGBARN O=C(Nc1ccc([N+](=O)[O-])cc1F)OCc1ccccc1 ZINC000261494533 190039876 /nfs/dbraw/zinc/03/98/76/190039876.db2.gz ZVBUWAOSILOPNT-UHFFFAOYSA-N 0 0 290.250 3.483 50 5 CGBARN O=C1c2ccc([N+](=O)[O-])cc2N[C@H]2CCCCC[C@H]12 ZINC000226759945 376371092 /nfs/dbraw/zinc/37/10/92/376371092.db2.gz PWENJZSMQGTTKI-JQWIXIFHSA-N 0 0 260.293 3.152 50 5 CGBARN O=[N+]([O-])c1cc(OC(F)F)cc(Br)c1F ZINC000263623683 190070309 /nfs/dbraw/zinc/07/03/09/190070309.db2.gz JRSTTYXESSWYMH-UHFFFAOYSA-N 0 0 286.003 3.098 50 5 CGBARN Cc1cc(Br)cc([N+](=O)[O-])c1OC(F)F ZINC000263624016 190070655 /nfs/dbraw/zinc/07/06/55/190070655.db2.gz MQIAAHIGJICMME-UHFFFAOYSA-N 0 0 282.040 3.267 50 5 CGBARN O=[N+]([O-])c1c(F)cc(OC(F)F)cc1Br ZINC000263624330 190070818 /nfs/dbraw/zinc/07/08/18/190070818.db2.gz PJWROVUNQOAEOJ-UHFFFAOYSA-N 0 0 286.003 3.098 50 5 CGBARN CCC[C@@]1(Nc2ncc([N+](=O)[O-])cc2Cl)CCOC1 ZINC000253423178 377690800 /nfs/dbraw/zinc/69/08/00/377690800.db2.gz VLKUJIQNCOWKDK-GFCCVEGCSA-N 0 0 285.731 3.014 50 5 CGBARN O=C(/C=C/c1cccc([N+](=O)[O-])c1)NC1CCCCC1 ZINC000000063860 169523209 /nfs/dbraw/zinc/52/32/09/169523209.db2.gz HIEZWSRCZFCODX-MDZDMXLPSA-N 0 0 274.320 3.057 50 5 CGBARN O=[N+]([O-])c1cccc(-c2nnc(-c3ccccc3F)o2)c1 ZINC000000276074 169594887 /nfs/dbraw/zinc/59/48/87/169594887.db2.gz OYJYSNFKFRLKCL-UHFFFAOYSA-N 0 0 285.234 3.451 50 5 CGBARN O=C(Nc1ccc(F)cc1F)c1ccc([N+](=O)[O-])cc1 ZINC000000299177 169601376 /nfs/dbraw/zinc/60/13/76/169601376.db2.gz WOIZWOZTAJSRDE-UHFFFAOYSA-N 0 0 278.214 3.125 50 5 CGBARN Cc1c(C(=O)Nc2ccc(F)c(F)c2)cccc1[N+](=O)[O-] ZINC000000437020 169640104 /nfs/dbraw/zinc/64/01/04/169640104.db2.gz SSUWIKHINXMVLA-UHFFFAOYSA-N 0 0 292.241 3.434 50 5 CGBARN COc1cccc(NC(=O)c2cccc(C)c2[N+](=O)[O-])c1 ZINC000000464248 169647588 /nfs/dbraw/zinc/64/75/88/169647588.db2.gz HCFMNVVSHKRRTJ-UHFFFAOYSA-N 0 0 286.287 3.164 50 5 CGBARN O=[N+]([O-])c1cc(Br)cc(N2CCCCC2)c1 ZINC000261493778 285081948 /nfs/dbraw/zinc/08/19/48/285081948.db2.gz IZSLMJBGRSETJM-UHFFFAOYSA-N 0 0 285.141 3.348 50 5 CGBARN O=[N+]([O-])c1ccc(-c2nnc3ccc4ccccc4n32)cc1 ZINC000000454297 285105645 /nfs/dbraw/zinc/10/56/45/285105645.db2.gz NJRPJKFVNPDERP-UHFFFAOYSA-N 0 0 290.282 3.458 50 5 CGBARN O=[N+]([O-])c1ccc(Nc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000004084151 285136617 /nfs/dbraw/zinc/13/66/17/285136617.db2.gz GHGZVVSSOCIOKX-UHFFFAOYSA-N 0 0 277.211 3.386 50 5 CGBARN O=Cc1ccc(-c2cc(F)ccc2F)c([N+](=O)[O-])c1 ZINC000675069602 543312607 /nfs/dbraw/zinc/31/26/07/543312607.db2.gz JEZLWJPNXRWKGQ-UHFFFAOYSA-N 0 0 263.199 3.353 50 5 CGBARN CCCCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000002970033 169846436 /nfs/dbraw/zinc/84/64/36/169846436.db2.gz JMNYHUKKOYSKLW-UHFFFAOYSA-N 0 0 256.689 3.377 50 5 CGBARN COc1ccc2c(c1)[nH]c(=O)cc2-c1ccc([N+](=O)[O-])cc1 ZINC000003150355 169860172 /nfs/dbraw/zinc/86/01/72/169860172.db2.gz GBZQLEZLTSXODF-UHFFFAOYSA-N 0 0 296.282 3.112 50 5 CGBARN O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1cc(F)cc(F)c1 ZINC000004740665 170008786 /nfs/dbraw/zinc/00/87/86/170008786.db2.gz SFEKPNLYBXGMFL-UHFFFAOYSA-N 0 0 292.241 3.054 50 5 CGBARN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1ccco1 ZINC000004819895 170023455 /nfs/dbraw/zinc/02/34/55/170023455.db2.gz YJHWAICMEULWPQ-UHFFFAOYSA-N 0 0 266.640 3.094 50 5 CGBARN Cc1cc(C(=O)NC(C(C)C)C(C)C)ccc1[N+](=O)[O-] ZINC000004839494 170027348 /nfs/dbraw/zinc/02/73/48/170027348.db2.gz QBYPNASYQWAMPJ-UHFFFAOYSA-N 0 0 278.352 3.314 50 5 CGBARN O=[N+]([O-])c1c2nonc2ccc1Nc1cccc(F)c1 ZINC000004974110 170047185 /nfs/dbraw/zinc/04/71/85/170047185.db2.gz QMETXUTZEYHEJB-UHFFFAOYSA-N 0 0 274.211 3.014 50 5 in-vitro CGBARN Cc1occc1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000005093254 170065648 /nfs/dbraw/zinc/06/56/48/170065648.db2.gz URBLSUJPFIUOND-UHFFFAOYSA-N 0 0 280.667 3.402 50 5 CGBARN O=C(CCc1ccccc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000006864147 170251087 /nfs/dbraw/zinc/25/10/87/170251087.db2.gz DLODTULVUARFNA-UHFFFAOYSA-N 0 0 270.288 3.166 50 5 CGBARN O=[N+]([O-])c1ccc(NCCc2ccccn2)c(Cl)c1 ZINC000008149201 170321578 /nfs/dbraw/zinc/32/15/78/170321578.db2.gz WHLRYDHBBDGRQV-UHFFFAOYSA-N 0 0 277.711 3.298 50 5 CGBARN O=C(c1ccc([N+](=O)[O-])cc1)N1CC[C@H]2CCCC[C@@H]2C1 ZINC000008161097 170321722 /nfs/dbraw/zinc/32/17/22/170321722.db2.gz CDEUIZXPPIBTLT-TZMCWYRMSA-N 0 0 288.347 3.247 50 5 CGBARN Cc1cccc(Nc2nc3sccn3c2[N+](=O)[O-])c1 ZINC000008308400 170329911 /nfs/dbraw/zinc/32/99/11/170329911.db2.gz PNGVBCBWWPJJLF-UHFFFAOYSA-N 0 0 274.305 3.356 50 5 CGBARN O=C(Nc1cc([N+](=O)[O-])c(F)cc1F)c1ccccc1 ZINC000024831941 171441506 /nfs/dbraw/zinc/44/15/06/171441506.db2.gz RVNXKDUUNKUWMW-UHFFFAOYSA-N 0 0 278.214 3.125 50 5 CGBARN C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)[C@@H]1CC=CCC1 ZINC000032772657 171749646 /nfs/dbraw/zinc/74/96/46/171749646.db2.gz YCBNMGSERKZSJD-QWHCGFSZSA-N 0 0 288.347 3.471 50 5 CGBARN C[C@@H]1CN(C)[C@H](C)c2c3cc([N+](=O)[O-])ccc3oc21 ZINC000033682429 274340863 /nfs/dbraw/zinc/34/08/63/274340863.db2.gz HAPQZJBJBJVMIZ-RKDXNWHRSA-N 0 0 260.293 3.451 50 5 CGBARN Cc1ncc(-c2cc3cc([N+](=O)[O-])ccc3oc2=O)s1 ZINC000000241175 274855471 /nfs/dbraw/zinc/85/54/71/274855471.db2.gz LISNWCXCERRSOL-UHFFFAOYSA-N 0 0 288.284 3.133 50 5 CGBARN CC(C)[C@H]1CN(c2ccc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000095993868 276032860 /nfs/dbraw/zinc/03/28/60/276032860.db2.gz JYGDWFRGOOQSGP-CYBMUJFWSA-N 0 0 284.743 3.109 50 5 CGBARN COc1ccc2[nH]c3cc(Cl)ccc3c(=O)c2c1 ZINC000003843470 277941488 /nfs/dbraw/zinc/94/14/88/277941488.db2.gz UVZLOKFSBAJOMV-UHFFFAOYSA-N 0 0 259.692 3.343 50 5 CGBARN COc1cccc(-c2nc3cc([N+](=O)[O-])ccc3o2)c1 ZINC000000529139 278006272 /nfs/dbraw/zinc/00/62/72/278006272.db2.gz ZZOKRSMDAVZBOF-UHFFFAOYSA-N 0 0 270.244 3.412 50 5 CGBARN Cc1c(Br)c(C)c([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000001646571 280197870 /nfs/dbraw/zinc/19/78/70/280197870.db2.gz XUOMMFKVKLQOFP-UHFFFAOYSA-N 0 0 289.085 3.191 50 5 CGBARN Cc1cc([N+](=O)[O-])cc(Br)c1Br ZINC000032299599 280655528 /nfs/dbraw/zinc/65/55/28/280655528.db2.gz UBMOZBCSMJIDTD-UHFFFAOYSA-N 0 0 294.930 3.428 50 5 CGBARN Cc1cc([C@@H]2CCCN2c2ccccc2[N+](=O)[O-])no1 ZINC000029527117 301413030 /nfs/dbraw/zinc/41/30/30/301413030.db2.gz IOTIDDOXJNUAFP-LBPRGKRZSA-N 0 0 273.292 3.233 50 5 CGBARN Cc1c(C(=O)NC(C(C)C)C(C)C)cccc1[N+](=O)[O-] ZINC000000452350 326792363 /nfs/dbraw/zinc/79/23/63/326792363.db2.gz CTIYXCBEMKTLEX-UHFFFAOYSA-N 0 0 278.352 3.314 50 5 CGBARN O=C1O[C@@H](O)c2cccc3ccc4cccc1c4c32 ZINC000032236564 328752499 /nfs/dbraw/zinc/75/24/99/328752499.db2.gz FHNQXICDGGUJIP-OAHLLOKOSA-N 0 0 250.253 3.154 50 5 CGBARN O=C(NCc1ccccc1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000095977791 185051667 /nfs/dbraw/zinc/05/16/67/185051667.db2.gz OIVCJSKVHDSECI-UHFFFAOYSA-N 0 0 290.706 3.178 50 5 CGBARN C[C@@H](Nc1nc2ccc([N+](=O)[O-])cc2s1)c1ccon1 ZINC000095985531 185055387 /nfs/dbraw/zinc/05/53/87/185055387.db2.gz NHKDZBHWTYDPGK-SSDOTTSWSA-N 0 0 290.304 3.366 50 5 CGBARN Cc1nn(C)c(N[C@@H]2CCCc3ccccc32)c1[N+](=O)[O-] ZINC000047330973 282274665 /nfs/dbraw/zinc/27/46/65/282274665.db2.gz AJERJPYCVPGHFZ-CYBMUJFWSA-N 0 0 286.335 3.126 50 5 CGBARN O=[N+]([O-])c1ccc2ccn(Cc3ccc(CO)cc3)c2c1 ZINC000129064166 346046856 /nfs/dbraw/zinc/04/68/56/346046856.db2.gz GCXXNVGBLHJCJA-UHFFFAOYSA-N 0 0 282.299 3.090 50 5 CGBARN Cn1c2ccccc2c(Oc2ccccc2)c([N+](=O)[O-])c1=O ZINC000000271908 282602896 /nfs/dbraw/zinc/60/28/96/282602896.db2.gz QGTKOIGMIQIIBA-UHFFFAOYSA-N 0 0 296.282 3.239 50 5 CGBARN Cc1ccc(OC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cn1 ZINC000000235438 368319996 /nfs/dbraw/zinc/31/99/96/368319996.db2.gz OOIKGNOQVAXYPN-UHFFFAOYSA-N 0 0 292.678 3.171 50 5 CGBARN COc1ccc([C@H]2Oc3ccccc3C=C2[N+](=O)[O-])cc1 ZINC000000033968 368272678 /nfs/dbraw/zinc/27/26/78/368272678.db2.gz VWHLPNCPVHZLQX-MRXNPFEDSA-N 0 0 283.283 3.447 50 5 CGBARN O=C(Nc1cc(Cl)ccc1O)c1ccc([N+](=O)[O-])cc1 ZINC000000138896 368299976 /nfs/dbraw/zinc/29/99/76/368299976.db2.gz WABKXUJDYXWQAT-UHFFFAOYSA-N 0 0 292.678 3.206 50 5 CGBARN O=c1cc(Nc2cccc([N+](=O)[O-])c2)c2ccccc2o1 ZINC000000312343 368339335 /nfs/dbraw/zinc/33/93/35/368339335.db2.gz WPFJVRWSJCBASD-UHFFFAOYSA-N 0 0 282.255 3.445 50 5 CGBARN O=[N+]([O-])c1cc(NC(=S)NC2CCCCC2)ccc1F ZINC000003231603 368497175 /nfs/dbraw/zinc/49/71/75/368497175.db2.gz LCVYTRMFPMYWKT-UHFFFAOYSA-N 0 0 297.355 3.353 50 5 CGBARN CCc1ccc(C(=O)N(C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000004113401 368532428 /nfs/dbraw/zinc/53/24/28/368532428.db2.gz BFXCINDOHSZSOY-UHFFFAOYSA-N 0 0 284.315 3.434 50 5 CGBARN CN(Cc1ccccc1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000004117124 368532472 /nfs/dbraw/zinc/53/24/72/368532472.db2.gz VMTGPQUEYRAIGE-UHFFFAOYSA-N 0 0 287.275 3.139 50 5 CGBARN O=[N+]([O-])c1cncc([N+](=O)[O-])c1Nc1ccccc1Cl ZINC000004409481 368546123 /nfs/dbraw/zinc/54/61/23/368546123.db2.gz SYDNVZOSGOWCBQ-UHFFFAOYSA-N 0 0 294.654 3.295 50 5 CGBARN COc1ccccc1-c1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000012137860 368603816 /nfs/dbraw/zinc/60/38/16/368603816.db2.gz JXQPBVFDCDZEQU-UHFFFAOYSA-N 0 0 297.270 3.320 50 5 CGBARN C[C@@H]1C[C@H](C)CN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000012465162 368614942 /nfs/dbraw/zinc/61/49/42/368614942.db2.gz VFIFRHCLZDRSDO-LZGDYBNZSA-N 0 0 288.347 3.113 50 5 CGBARN Cc1ccc(OC(=O)c2cc([N+](=O)[O-])ccc2Cl)cn1 ZINC000013234421 368648216 /nfs/dbraw/zinc/64/82/16/368648216.db2.gz YPJISFFHKKPWOX-UHFFFAOYSA-N 0 0 292.678 3.171 50 5 CGBARN Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCc2ccccc21 ZINC000017024234 368726551 /nfs/dbraw/zinc/72/65/51/368726551.db2.gz OPRFYLSVLHUXLL-UHFFFAOYSA-N 0 0 297.314 3.498 50 5 CGBARN Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCCCCC1 ZINC000017007752 368725339 /nfs/dbraw/zinc/72/53/39/368725339.db2.gz SOCCEUJTWLOIPT-UHFFFAOYSA-N 0 0 277.324 3.311 50 5 CGBARN Cc1ccc(O)c(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000019838928 368770409 /nfs/dbraw/zinc/77/04/09/368770409.db2.gz VUJDORVKKVHOOQ-UHFFFAOYSA-N 0 0 286.287 3.170 50 5 CGBARN O=C(/C=C\c1cccc([N+](=O)[O-])c1)n1cnc2ccccc21 ZINC000033921613 368970884 /nfs/dbraw/zinc/97/08/84/368970884.db2.gz VYEZXHFIAHYAAP-HJWRWDBZSA-N 0 0 293.282 3.298 50 5 CGBARN O=C(Oc1ccc2oc3ccccc3c2c1)[C@@H]1C[C@@H]1[N+](=O)[O-] ZINC000032932047 368954046 /nfs/dbraw/zinc/95/40/46/368954046.db2.gz UTHVAILYIKSVLA-OLZOCXBDSA-N 0 0 297.266 3.157 50 5 CGBARN Cc1nc2ccccc2nc1Oc1cccnc1[N+](=O)[O-] ZINC000040497346 369155906 /nfs/dbraw/zinc/15/59/06/369155906.db2.gz RZPYELXATGSXJJ-UHFFFAOYSA-N 0 0 282.259 3.034 50 5 CGBARN CCS[C@@H]1CCCC[C@@H]1Nc1ncccc1[N+](=O)[O-] ZINC000075105362 369895176 /nfs/dbraw/zinc/89/51/76/369895176.db2.gz WMTSXWXMNNFWFX-CMPLNLGQSA-N 0 0 281.381 3.466 50 5 CGBARN Cc1cc([N+](=O)[O-])ccc1NCCc1nccn1C(F)F ZINC000080611080 369992404 /nfs/dbraw/zinc/99/24/04/369992404.db2.gz XLOIBSZBRLFADC-UHFFFAOYSA-N 0 0 296.277 3.149 50 5 CGBARN Cc1cc(CN(Cc2ccc([N+](=O)[O-])cc2)C2CC2)no1 ZINC000130354341 371027645 /nfs/dbraw/zinc/02/76/45/371027645.db2.gz QRIRGEUNBRVEPV-UHFFFAOYSA-N 0 0 287.319 3.056 50 5 CGBARN Cc1cccc([C@@H]2CCCN2c2ncc([N+](=O)[O-])s2)n1 ZINC000192494260 375757384 /nfs/dbraw/zinc/75/73/84/375757384.db2.gz AFEXRZRNALGPSM-NSHDSACASA-N 0 0 290.348 3.096 50 5 CGBARN O=[N+]([O-])c1cc(F)cc(Br)c1OC(F)F ZINC000263623926 190070618 /nfs/dbraw/zinc/07/06/18/190070618.db2.gz LWJRPYWTAUITEF-UHFFFAOYSA-N 0 0 286.003 3.098 50 5 CGBARN COc1cccc(COc2c(Cl)cncc2[N+](=O)[O-])c1 ZINC000253418058 377690914 /nfs/dbraw/zinc/69/09/14/377690914.db2.gz YTJGLNWNJKFXOZ-UHFFFAOYSA-N 0 0 294.694 3.231 50 5 CGBARN Cc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000000103263 169537172 /nfs/dbraw/zinc/53/71/72/169537172.db2.gz ZUQZFNHYVCTIEM-UHFFFAOYSA-N 0 0 270.288 3.464 50 5 CGBARN COc1ccc([C@@H]2CC(c3ccc([N+](=O)[O-])cc3)=NN2)cc1 ZINC000000286133 169597817 /nfs/dbraw/zinc/59/78/17/169597817.db2.gz RBEXSHMZPHLMFD-INIZCTEOSA-N 0 0 297.314 3.042 50 5 CGBARN Cc1ccc(C)c(NC(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000000300502 169602166 /nfs/dbraw/zinc/60/21/66/169602166.db2.gz NQPHDZKVYYMRHR-UHFFFAOYSA-N 0 0 270.288 3.464 50 5 CGBARN O=C(Oc1ccccc1Cl)c1ccc([N+](=O)[O-])cc1 ZINC000000325561 169608466 /nfs/dbraw/zinc/60/84/66/169608466.db2.gz OFIWZIJKZNBSHV-UHFFFAOYSA-N 0 0 277.663 3.467 50 5 CGBARN O=[N+]([O-])c1cc(Cl)c(Cl)c([N+](=O)[O-])c1Cl ZINC000001680815 285086602 /nfs/dbraw/zinc/08/66/02/285086602.db2.gz OFMRACCIIIDSDN-UHFFFAOYSA-N 0 0 271.443 3.463 50 5 CGBARN O=c1c2cc(O)cc3cccc(c4nc5ccccc5n41)c32 ZINC000000545563 285209503 /nfs/dbraw/zinc/20/95/03/285209503.db2.gz OGZGEVPFSSYVDY-UHFFFAOYSA-N 0 0 286.290 3.298 50 5 CGBARN Cc1nnc([C@H](C)Oc2ccc([N+](=O)[O-])c(Cl)c2)o1 ZINC000096428865 256757504 /nfs/dbraw/zinc/75/75/04/256757504.db2.gz AKQOEUKJEDQYOH-LURJTMIESA-N 0 0 283.671 3.080 50 5 CGBARN CC(C)(C)c1cc([N+](=O)[O-])c(Cl)c([N+](=O)[O-])c1 ZINC000001841374 391913440 /nfs/dbraw/zinc/91/34/40/391913440.db2.gz FRFMLDNFLXIDSH-UHFFFAOYSA-N 0 0 258.661 3.454 50 5 CGBARN C[C@H](Cn1cc([N+](=O)[O-])c(C2CC2)n1)c1ccccc1 ZINC000097162036 392260110 /nfs/dbraw/zinc/26/01/10/392260110.db2.gz CZRLSCJLZVHXKK-LLVKDONJSA-N 0 0 271.320 3.472 50 5 CGBARN Cc1ccc(-c2nc3cc([N+](=O)[O-])ccc3n2C)cc1 ZINC000006694359 397603339 /nfs/dbraw/zinc/60/33/39/397603339.db2.gz ZIDYZLRLFFPGNN-UHFFFAOYSA-N 0 0 267.288 3.457 50 5 CGBARN CCOC(=O)c1cccc(C(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000002392592 169790917 /nfs/dbraw/zinc/79/09/17/169790917.db2.gz SWKDJQQHAVHZIZ-UHFFFAOYSA-N 0 0 299.282 3.003 50 5 CGBARN CCN(CC)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000004583072 169987037 /nfs/dbraw/zinc/98/70/37/169987037.db2.gz RCYMHHAMYJFNQS-UHFFFAOYSA-N 0 0 271.704 3.122 50 5 CGBARN O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCc2ccccc21 ZINC000004700923 170001517 /nfs/dbraw/zinc/00/15/17/170001517.db2.gz XGBMFPPLXHVCJG-UHFFFAOYSA-N 0 0 283.287 3.189 50 5 CGBARN Cc1cc([N+](=O)[O-])ccc1NC(=O)Cc1ccc(F)cc1 ZINC000004819590 170022468 /nfs/dbraw/zinc/02/24/68/170022468.db2.gz GQCPNZPAQVSURO-UHFFFAOYSA-N 0 0 288.278 3.224 50 5 CGBARN O=C(Cc1ccccc1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000004828453 170025091 /nfs/dbraw/zinc/02/50/91/170025091.db2.gz JHZWUTKPVXQRFW-UHFFFAOYSA-N 0 0 290.706 3.429 50 5 CGBARN COc1ccc(/C=C2\Oc3ccccc3[C@H]2O)cc1[N+](=O)[O-] ZINC000004833736 170025911 /nfs/dbraw/zinc/02/59/11/170025911.db2.gz KINKBFVJZAVRGT-QOBZYLRHSA-N 0 0 299.282 3.070 50 5 CGBARN O=C(Nc1ccccc1[N+](=O)[O-])[C@@H]1C[C@@H]1c1ccccc1 ZINC000004948543 170044320 /nfs/dbraw/zinc/04/43/20/170044320.db2.gz GCNZKHJCESWJHX-CHWSQXEVSA-N 0 0 282.299 3.337 50 5 CGBARN O=C(Nc1ccc([N+](=O)[O-])cc1)C1=Cc2ccccc2OC1 ZINC000005034226 170058577 /nfs/dbraw/zinc/05/85/77/170058577.db2.gz SCWOGNRJIISVLY-UHFFFAOYSA-N 0 0 296.282 3.009 50 5 CGBARN CC(=O)c1ccc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000005173359 170073443 /nfs/dbraw/zinc/07/34/43/170073443.db2.gz FVXMONKBAOUQQE-UHFFFAOYSA-N 0 0 298.298 3.358 50 5 CGBARN Cc1cc(C)cc(NC(=O)c2ccccc2CC[N+](=O)[O-])c1 ZINC000005379040 170091453 /nfs/dbraw/zinc/09/14/53/170091453.db2.gz CDBOVUJVTMSCMF-UHFFFAOYSA-N 0 0 298.342 3.375 50 5 CGBARN Cc1ccc(C)c(NC(=O)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC000005538980 170110341 /nfs/dbraw/zinc/11/03/41/170110341.db2.gz FRWNWEUHAXOFTQ-UHFFFAOYSA-N 0 0 284.315 3.393 50 5 CGBARN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CCc2ccccc21 ZINC000005776377 170139691 /nfs/dbraw/zinc/13/96/91/170139691.db2.gz WPQIZPDOIZGDGQ-JXMROGBWSA-N 0 0 294.310 3.197 50 5 CGBARN Cc1ccc(N[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000007223330 170272896 /nfs/dbraw/zinc/27/28/96/170272896.db2.gz HDLGIGIPIBXXEI-GFCCVEGCSA-N 0 0 299.330 3.342 50 5 CGBARN Cc1cnc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)s1 ZINC000007800806 170303725 /nfs/dbraw/zinc/30/37/25/170303725.db2.gz LWZUPQBQDSIYTA-UHFFFAOYSA-N 0 0 297.723 3.265 50 5 CGBARN COc1ccc(Nc2nc3sccn3c2[N+](=O)[O-])cc1 ZINC000008308513 170329901 /nfs/dbraw/zinc/32/99/01/170329901.db2.gz CCHYDKZPIGXCRV-UHFFFAOYSA-N 0 0 290.304 3.056 50 5 CGBARN O=C(Nc1cccc([N+](=O)[O-])c1)N1CCCCCC1 ZINC000009256894 170369244 /nfs/dbraw/zinc/36/92/44/170369244.db2.gz CDFBPRCEOIBCIK-UHFFFAOYSA-N 0 0 263.297 3.003 50 5 CGBARN COc1ccc(COc2ccc(C)nc2[N+](=O)[O-])cc1F ZINC000009662793 170383823 /nfs/dbraw/zinc/38/38/23/170383823.db2.gz XUBKZOQORYDJEB-UHFFFAOYSA-N 0 0 292.266 3.025 50 5 CGBARN CC(C)CC[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000010410904 170406146 /nfs/dbraw/zinc/40/61/46/170406146.db2.gz ZBLGUZXOUORHJV-NSHDSACASA-N 0 0 264.325 3.149 50 5 CGBARN O=C(O[C@@H]1CCc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000012782554 170510235 /nfs/dbraw/zinc/51/02/35/170510235.db2.gz JLXMNGWEFBFQSN-OAHLLOKOSA-N 0 0 283.283 3.439 50 5 CGBARN O=C(O[C@H]1CCc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000012782558 170510624 /nfs/dbraw/zinc/51/06/24/170510624.db2.gz JLXMNGWEFBFQSN-HNNXBMFYSA-N 0 0 283.283 3.439 50 5 CGBARN CC(C)[C@H](C)Nc1c2ccccc2oc(=O)c1[N+](=O)[O-] ZINC000014077240 170618263 /nfs/dbraw/zinc/61/82/63/170618263.db2.gz KJVIQLZEXXMAJR-VIFPVBQESA-N 0 0 276.292 3.158 50 5 CGBARN Cc1cccc(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000020408388 171183224 /nfs/dbraw/zinc/18/32/24/171183224.db2.gz GZWMFFLUSXYZDL-UHFFFAOYSA-N 0 0 291.328 3.044 50 5 CGBARN CN(C(=O)/C=C/c1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000021836000 171334895 /nfs/dbraw/zinc/33/48/95/171334895.db2.gz BAMCZCFXPLRYTI-VAWYXSNFSA-N 0 0 288.347 3.399 50 5 CGBARN Cc1ccc(CC(=O)N(C)Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000024947932 171444185 /nfs/dbraw/zinc/44/41/85/171444185.db2.gz VKFBNRTUFNDQOH-UHFFFAOYSA-N 0 0 298.342 3.104 50 5 CGBARN Cc1cc(COc2c(C)ccc([N+](=O)[O-])c2C)on1 ZINC000029751087 171609026 /nfs/dbraw/zinc/60/90/26/171609026.db2.gz TYBNIRZOOJOLKY-UHFFFAOYSA-N 0 0 262.265 3.087 50 5 CGBARN O=C(Nc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCc2ccccc21 ZINC000032851138 171755437 /nfs/dbraw/zinc/75/54/37/171755437.db2.gz HSOMWFRHHZXKSW-OAHLLOKOSA-N 0 0 297.314 3.404 50 5 CGBARN CCCCCOC(=O)CCCCCCC[N+](=O)[O-] ZINC000045068411 175300096 /nfs/dbraw/zinc/30/00/96/175300096.db2.gz PIDRSRJVRBKHLL-UHFFFAOYSA-N 0 0 259.346 3.337 50 5 CGBARN Cc1nn(C)c(N[C@H](C)c2ccc(F)c(F)c2)c1[N+](=O)[O-] ZINC000047331083 175407039 /nfs/dbraw/zinc/40/70/39/175407039.db2.gz KWWAQGFDXNUADZ-SSDOTTSWSA-N 0 0 296.277 3.088 50 5 CGBARN C[C@H](Sc1ncccc1[N+](=O)[O-])c1nc(C2CC2)no1 ZINC000049418431 175476635 /nfs/dbraw/zinc/47/66/35/175476635.db2.gz NQXUXECXASYHHF-ZETCQYMHSA-N 0 0 292.320 3.104 50 5 CGBARN CC(=O)N1c2ccccc2CCc2ccc([N+](=O)[O-])cc21 ZINC000002896557 275778281 /nfs/dbraw/zinc/77/82/81/275778281.db2.gz LZEJPLZDYOQHSM-UHFFFAOYSA-N 0 0 282.299 3.378 50 5 CGBARN COc1cc(Cl)c(Br)cc1[N+](=O)[O-] ZINC000012471393 277378350 /nfs/dbraw/zinc/37/83/50/277378350.db2.gz CLOMPIIPEQKLRX-UHFFFAOYSA-N 0 0 266.478 3.019 50 5 CGBARN COc1ccc2sc3ccccc3c(=O)c2c1OC ZINC000004174677 278005685 /nfs/dbraw/zinc/00/56/85/278005685.db2.gz LZAPWMRTQFPWQE-UHFFFAOYSA-N 0 0 272.325 3.432 50 5 CGBARN O=[N+]([O-])c1ccc(N2CCSCC2)c(C(F)(F)F)c1 ZINC000060031508 280367316 /nfs/dbraw/zinc/36/73/16/280367316.db2.gz RQHHTFSDMKSJOA-UHFFFAOYSA-N 0 0 292.282 3.167 50 5 CGBARN CC[C@](C)(c1ccc([N+](=O)[O-])cc1)C(C)(C)[N+](=O)[O-] ZINC000003080651 281297828 /nfs/dbraw/zinc/29/78/28/281297828.db2.gz MECZACIVDFZVTL-CYBMUJFWSA-N 0 0 266.297 3.318 50 5 CGBARN O=[N+]([O-])c1ccc([C@H]2Nc3cc([N+](=O)[O-])ccc3O2)s1 ZINC000003134042 534883370 /nfs/dbraw/zinc/88/33/70/534883370.db2.gz ARVMVJJYSIVYTJ-NSHDSACASA-N 0 0 293.260 3.068 50 5 CGBARN C[C@H](c1ccccc1)N(C)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000013010571 230371097 /nfs/dbraw/zinc/37/10/97/230371097.db2.gz UAQNBWDWDAFHPT-CYBMUJFWSA-N 0 0 298.342 3.357 50 5 CGBARN O=[N+]([O-])c1ccc(OCC2CC2)c(Br)c1 ZINC000124338491 187133105 /nfs/dbraw/zinc/13/31/05/187133105.db2.gz QBQHBMLDRIHJAN-UHFFFAOYSA-N 0 0 272.098 3.146 50 5 CGBARN C[C@@H](C(=O)Nc1ccccc1F)c1ccc([N+](=O)[O-])cc1 ZINC000000471324 230366054 /nfs/dbraw/zinc/36/60/54/230366054.db2.gz FJLBXQXVRHIZMM-SNVBAGLBSA-N 0 0 288.278 3.476 50 5 CGBARN Cc1cc(C)c([N+](=O)[O-])c(OCc2cccc(F)c2)n1 ZINC000096006431 185062890 /nfs/dbraw/zinc/06/28/90/185062890.db2.gz FHFBZHNSQHELGK-UHFFFAOYSA-N 0 0 276.267 3.325 50 5 CGBARN O=C1O/C(=C\c2ccccc2)c2c1cccc2[N+](=O)[O-] ZINC000000342697 344854862 /nfs/dbraw/zinc/85/48/62/344854862.db2.gz CMGKNTNYIUSNJS-LCYFTJDESA-N 0 0 267.240 3.263 50 5 CGBARN O=[N+]([O-])c1c(F)cccc1N[C@H](CCO)c1ccccc1 ZINC000077238190 345563551 /nfs/dbraw/zinc/56/35/51/345563551.db2.gz HXOYPQSVVOTBNC-CYBMUJFWSA-N 0 0 290.294 3.270 50 5 CGBARN O=[N+]([O-])c1cccc(S(=O)(=O)/C=C\c2ccccc2)c1 ZINC000097601910 185636114 /nfs/dbraw/zinc/63/61/14/185636114.db2.gz SBYUAIXSSFMSED-KTKRTIGZSA-N 0 0 289.312 3.039 50 5 CGBARN CCNC(=O)c1cccc(-c2cccc([N+](=O)[O-])c2)c1 ZINC000085477041 179079907 /nfs/dbraw/zinc/07/99/07/179079907.db2.gz VALPEQSCKHJNMZ-UHFFFAOYSA-N 0 0 270.288 3.012 50 5 CGBARN COc1cc(C(=O)N(C(C)C)C(C)C)cc([N+](=O)[O-])c1C ZINC000191897266 189607872 /nfs/dbraw/zinc/60/78/72/189607872.db2.gz PUCOLVJRPZITIP-UHFFFAOYSA-N 0 0 294.351 3.171 50 5 CGBARN O=c1sc2ccccc2n1Cc1ccc([N+](=O)[O-])cc1 ZINC000000041163 368276263 /nfs/dbraw/zinc/27/62/63/368276263.db2.gz LXQREGGBLTUBTM-UHFFFAOYSA-N 0 0 286.312 3.020 50 5 CGBARN C[C@@H]1C[C@@H](C)CN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000000102192 368289192 /nfs/dbraw/zinc/28/91/92/368289192.db2.gz LJVWVOJPPPDGSV-NXEZZACHSA-N 0 0 296.754 3.366 50 5 CGBARN C[C@@H](NC(=O)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000000103195 368290312 /nfs/dbraw/zinc/29/03/12/368290312.db2.gz TYMCJGBVKJRKCM-LLVKDONJSA-N 0 0 270.288 3.086 50 5 CGBARN Cc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000000272892 368331201 /nfs/dbraw/zinc/33/12/01/368331201.db2.gz SXPDZGZYKOTITO-UHFFFAOYSA-N 0 0 270.288 3.464 50 5 CGBARN Cc1ccsc1C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000000370762 368350701 /nfs/dbraw/zinc/35/07/01/368350701.db2.gz KVINREPTTIADQN-UHFFFAOYSA-N 0 0 280.280 3.356 50 5 CGBARN O=C(Oc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 ZINC000000376973 368353173 /nfs/dbraw/zinc/35/31/73/368353173.db2.gz VATBFJSGHPZRDB-UHFFFAOYSA-N 0 0 277.663 3.467 50 5 CGBARN CC(=O)Oc1ccc2c3ccccc3c(=O)oc2c1C ZINC000000407865 368360153 /nfs/dbraw/zinc/36/01/53/368360153.db2.gz BOVAUHFCLABBSS-UHFFFAOYSA-N 0 0 268.268 3.180 50 5 CGBARN Cn1cnc([N+](=O)[O-])c1Sc1nc2ccccc2s1 ZINC000000481414 368376935 /nfs/dbraw/zinc/37/69/35/368376935.db2.gz WVRCLOQDSRMFMU-UHFFFAOYSA-N 0 0 292.345 3.089 50 5 CGBARN O=[N+]([O-])c1ccc(Oc2cccc([N+](=O)[O-])c2)cc1 ZINC000001677207 368430664 /nfs/dbraw/zinc/43/06/64/368430664.db2.gz RLCAMJXZACQENP-UHFFFAOYSA-N 0 0 260.205 3.295 50 5 CGBARN Cc1nn(COc2cc(C)ccc2Cl)c(C)c1[N+](=O)[O-] ZINC000002552499 368463285 /nfs/dbraw/zinc/46/32/85/368463285.db2.gz SPPWZRUAXQBYDV-UHFFFAOYSA-N 0 0 295.726 3.406 50 5 CGBARN CSc1nnc(SCc2ccc([N+](=O)[O-])cc2)s1 ZINC000003547948 368512018 /nfs/dbraw/zinc/51/20/18/368512018.db2.gz DZRLERHNGLPUCU-UHFFFAOYSA-N 0 0 299.402 3.461 50 5 CGBARN COC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)cc1 ZINC000003848624 368521376 /nfs/dbraw/zinc/52/13/76/368521376.db2.gz PMHCOLXQSXMKJJ-UHFFFAOYSA-N 0 0 257.245 3.048 50 5 CGBARN O=[N+]([O-])c1ccc(N(Cc2ccc(F)cc2)C2CC2)nc1 ZINC000013014476 368641412 /nfs/dbraw/zinc/64/14/12/368641412.db2.gz QYOJNMXYUFAIPC-UHFFFAOYSA-N 0 0 287.294 3.298 50 5 CGBARN CCc1ccc(CCOc2ccc([N+](=O)[O-])cc2)nc1 ZINC000016696705 368720168 /nfs/dbraw/zinc/72/01/68/368720168.db2.gz KGCCHRPMSPXKJE-UHFFFAOYSA-N 0 0 272.304 3.174 50 5 in-vitro CGBARN O=c1[nH]c2ccccc2nc1/C=C\c1cccc([N+](=O)[O-])c1 ZINC000017290097 368730272 /nfs/dbraw/zinc/73/02/72/368730272.db2.gz MIDHEQVEQSEWKD-HJWRWDBZSA-N 0 0 293.282 3.002 50 5 CGBARN CCc1nc(SCc2ccc([N+](=O)[O-])cc2)[nH]c1C ZINC000020095054 368802258 /nfs/dbraw/zinc/80/22/58/368802258.db2.gz XIWFQSLNCJLKBX-UHFFFAOYSA-N 0 0 277.349 3.481 50 5 CGBARN Cc1cccc(C(=O)N(C)Cc2cccs2)c1[N+](=O)[O-] ZINC000024831080 368836568 /nfs/dbraw/zinc/83/65/68/368836568.db2.gz XGHLZOVZTBBGTR-UHFFFAOYSA-N 0 0 290.344 3.237 50 5 CGBARN C[C@@H](c1cccs1)N(C)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000032841958 368948319 /nfs/dbraw/zinc/94/83/19/368948319.db2.gz ICKNKBJDVHSRBB-JTQLQIEISA-N 0 0 290.344 3.490 50 5 CGBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)CSC(F)(F)F ZINC000033158611 368958840 /nfs/dbraw/zinc/95/88/40/368958840.db2.gz RPYYXLZHJGFKDW-UHFFFAOYSA-N 0 0 294.254 3.095 50 5 CGBARN O=C(c1ccc([N+](=O)[O-])o1)N1CCC[C@H]1c1ccsc1 ZINC000046911856 369300222 /nfs/dbraw/zinc/30/02/22/369300222.db2.gz RLEAESJCMLRZKA-JTQLQIEISA-N 0 0 292.316 3.227 50 5 CGBARN COC(=O)c1cc(-c2cccc(F)c2C)cc([N+](=O)[O-])c1 ZINC000097757063 370253022 /nfs/dbraw/zinc/25/30/22/370253022.db2.gz JVOGNCSCTPZYRK-UHFFFAOYSA-N 0 0 289.262 3.496 50 5 CGBARN Cc1cc([N+](=O)[O-])c(OC(F)F)cc1Br ZINC000263625167 190070891 /nfs/dbraw/zinc/07/08/91/190070891.db2.gz XICULKZPMDNCCQ-UHFFFAOYSA-N 0 0 282.040 3.267 50 5 CGBARN O=C(c1ccccc1[N+](=O)[O-])N1CCCc2ccccc21 ZINC000000103185 296262963 /nfs/dbraw/zinc/26/29/63/296262963.db2.gz SKQUFIITEPNXCM-UHFFFAOYSA-N 0 0 282.299 3.188 50 5 CGBARN Cc1cc(NC2CCC(F)(F)CC2)ncc1[N+](=O)[O-] ZINC000389995390 379905695 /nfs/dbraw/zinc/90/56/95/379905695.db2.gz HOVKFLKGWBQDQU-UHFFFAOYSA-N 0 0 271.267 3.288 50 5 CGBARN CC(=O)c1cccc(OC(=O)c2ccc([N+](=O)[O-])c(C)c2)c1 ZINC000000060946 169522515 /nfs/dbraw/zinc/52/25/15/169522515.db2.gz WCYHOEWXJJNWOS-UHFFFAOYSA-N 0 0 299.282 3.325 50 5 CGBARN O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CCCCCC1 ZINC000000102882 169536821 /nfs/dbraw/zinc/53/68/21/169536821.db2.gz DFRRKLYXQKCLQI-UHFFFAOYSA-N 0 0 282.727 3.264 50 5 CGBARN COc1ccc([N+](=O)[O-])cc1NC(=O)C1CCCCC1 ZINC000000303797 169602937 /nfs/dbraw/zinc/60/29/37/169602937.db2.gz VUCOSAVLRFEKJW-UHFFFAOYSA-N 0 0 278.308 3.122 50 5 CGBARN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1cccc(F)c1 ZINC000000460050 169646573 /nfs/dbraw/zinc/64/65/73/169646573.db2.gz RYISSEBTUNJJEO-RMKNXTFCSA-N 0 0 286.262 3.386 50 5 CGBARN O=[N+]([O-])c1ccc(OCc2cnc(Cl)s2)cc1 ZINC000001398370 285137577 /nfs/dbraw/zinc/13/75/77/285137577.db2.gz TZRUDDXHSVZKKB-UHFFFAOYSA-N 0 0 270.697 3.284 50 5 CGBARN O=[N+]([O-])c1ccc2nc(-c3ccc(F)cc3)cn2c1 ZINC000008855428 285147891 /nfs/dbraw/zinc/14/78/91/285147891.db2.gz NJKNWPSOLIXLGG-UHFFFAOYSA-N 0 0 257.224 3.049 50 5 CGBARN O=[N+]([O-])c1cccc(-c2cnc3ccccc3n2)c1 ZINC000000168847 285152555 /nfs/dbraw/zinc/15/25/55/285152555.db2.gz XTBOWTFVCVWSTE-UHFFFAOYSA-N 0 0 251.245 3.205 50 5 CGBARN O=c1oc2c(=O)c3ccccc3oc2c2ccccc12 ZINC000036619578 285228086 /nfs/dbraw/zinc/22/80/86/285228086.db2.gz QAJJCWXGKIGAPR-UHFFFAOYSA-N 0 0 264.236 3.053 50 5 CGBARN Cc1noc(C)c1CSc1ccc([N+](=O)[O-])cc1 ZINC000001383206 169696893 /nfs/dbraw/zinc/69/68/93/169696893.db2.gz MTCMBOZPZHNFMH-UHFFFAOYSA-N 0 0 264.306 3.492 50 5 CGBARN Cc1cc([N+](=O)[O-])c(I)cc1Cl ZINC000065337066 392146912 /nfs/dbraw/zinc/14/69/12/392146912.db2.gz GCXGZOXGUGMUGM-UHFFFAOYSA-N 0 0 297.479 3.161 50 5 CGBARN O=[N+]([O-])c1cc(Br)cc(Br)c1 ZINC000001675954 296497359 /nfs/dbraw/zinc/49/73/59/296497359.db2.gz ZWBHGBWABMAWOV-UHFFFAOYSA-N 0 0 280.903 3.120 50 5 CGBARN O=C(OCc1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000003250942 169871930 /nfs/dbraw/zinc/87/19/30/169871930.db2.gz QEHWFGUQVZMKLR-UHFFFAOYSA-N 0 0 263.293 3.218 50 5 CGBARN C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000003446927 169888946 /nfs/dbraw/zinc/88/89/46/169888946.db2.gz OPAHIRHAOFZMOT-JTQLQIEISA-N 0 0 288.278 3.225 50 5 CGBARN O=C(C[C@@H](C[N+](=O)[O-])c1ccccc1)c1ccccc1 ZINC000003844504 169915032 /nfs/dbraw/zinc/91/50/32/169915032.db2.gz HSDQDDXGMUPFTK-HNNXBMFYSA-N 0 0 269.300 3.320 50 5 CGBARN COc1ccc(/C=C2\Oc3ccccc3[C@@H]2O)cc1[N+](=O)[O-] ZINC000004833737 170025990 /nfs/dbraw/zinc/02/59/90/170025990.db2.gz KINKBFVJZAVRGT-TYWAAFNRSA-N 0 0 299.282 3.070 50 5 CGBARN COc1ccc(CNc2ccc([N+](=O)[O-])cc2)cc1 ZINC000005210685 170076764 /nfs/dbraw/zinc/07/67/64/170076764.db2.gz YSRIXDTZVKGYKM-UHFFFAOYSA-N 0 0 258.277 3.216 50 5 CGBARN O=[N+]([O-])c1ccc(OC[C@@H]2CC(c3ccccc3)=NO2)cc1 ZINC000005219373 170076982 /nfs/dbraw/zinc/07/69/82/170076982.db2.gz HWSCRCWCJFWZQO-HNNXBMFYSA-N 0 0 298.298 3.167 50 5 CGBARN CCCCCCNC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000005418056 170096920 /nfs/dbraw/zinc/09/69/20/170096920.db2.gz UDNDRILXTZIMNW-UHFFFAOYSA-N 0 0 264.325 3.213 50 5 CGBARN Cc1ccc(Oc2ncnc3sccc32)c([N+](=O)[O-])n1 ZINC000006912406 170254985 /nfs/dbraw/zinc/25/49/85/170254985.db2.gz NGSUEYQRVDQHNM-UHFFFAOYSA-N 0 0 288.288 3.095 50 5 CGBARN O=[N+]([O-])c1ccc(Oc2cccnc2)c(Cl)c1 ZINC000007039807 170263372 /nfs/dbraw/zinc/26/33/72/170263372.db2.gz OXFBSPZZTLLNRF-UHFFFAOYSA-N 0 0 250.641 3.436 50 5 CGBARN CN(Cc1cccnc1)c1ccc([N+](=O)[O-])cc1Cl ZINC000008052261 170316736 /nfs/dbraw/zinc/31/67/36/170316736.db2.gz DWDJDILZWIFXAO-UHFFFAOYSA-N 0 0 277.711 3.280 50 5 CGBARN O=C(c1cccc([N+](=O)[O-])c1)N1CC[C@H]2CCCC[C@H]2C1 ZINC000008161041 170321809 /nfs/dbraw/zinc/32/18/09/170321809.db2.gz VZIAEXVCIREFOC-OCCSQVGLSA-N 0 0 288.347 3.247 50 5 CGBARN CCc1ccccc1NC(=O)CNc1ccc([N+](=O)[O-])cc1 ZINC000009322893 170372536 /nfs/dbraw/zinc/37/25/36/170372536.db2.gz MCTCUJKOKZATQC-UHFFFAOYSA-N 0 0 299.330 3.208 50 5 CGBARN COc1ccc(Nc2ncnc3ccc([N+](=O)[O-])cc32)cc1 ZINC000012082671 170468684 /nfs/dbraw/zinc/46/86/84/170468684.db2.gz KHDKBNRXUNQSAY-UHFFFAOYSA-N 0 0 296.286 3.290 50 5 CGBARN CCCCC[C@@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000022512587 171389391 /nfs/dbraw/zinc/38/93/91/171389391.db2.gz NBNKKZSTIWCYTM-LLVKDONJSA-N 0 0 294.351 3.302 50 5 CGBARN CN(Cc1c(F)cccc1Cl)c1ccc([N+](=O)[O-])cn1 ZINC000045396380 175376487 /nfs/dbraw/zinc/37/64/87/175376487.db2.gz KFOQMEWTHVVTOS-UHFFFAOYSA-N 0 0 295.701 3.419 50 5 CGBARN C[C@@H](O)c1ccc(CNc2ccccc2[N+](=O)[O-])cc1 ZINC000048894413 175452307 /nfs/dbraw/zinc/45/23/07/175452307.db2.gz BQVKIETUUDTDBK-LLVKDONJSA-N 0 0 272.304 3.260 50 5 CGBARN O=[N+]([O-])c1cnn(COc2ccc(Cl)cc2Cl)c1 ZINC000072334162 176370896 /nfs/dbraw/zinc/37/08/96/176370896.db2.gz ORQWGXODULHAFF-UHFFFAOYSA-N 0 0 288.090 3.135 50 5 CGBARN COc1cccc(-c2cccc([N+](=O)[O-])c2)c1OC ZINC000725264264 544114147 /nfs/dbraw/zinc/11/41/47/544114147.db2.gz STQXLHNEQUTNQC-UHFFFAOYSA-N 0 0 259.261 3.279 50 5 CGBARN CCn1c2ccc([N+](=O)[O-])cc2c2c1C(=O)CCC2 ZINC000000102908 276711840 /nfs/dbraw/zinc/71/18/40/276711840.db2.gz JLATZFKTTPPDHI-UHFFFAOYSA-N 0 0 258.277 3.088 50 5 CGBARN COc1c(Cl)cc([N+](=O)[O-])cc1Br ZINC000065336832 277364028 /nfs/dbraw/zinc/36/40/28/277364028.db2.gz VKAIBJCWYIVBGA-UHFFFAOYSA-N 0 0 266.478 3.019 50 5 CGBARN Cc1c(C)c([N+](=O)[O-])ccc1NC(=O)C(C)(C)C ZINC000016697702 280223502 /nfs/dbraw/zinc/22/35/02/280223502.db2.gz BWGAUXFPFOFRKH-UHFFFAOYSA-N 0 0 250.298 3.196 50 5 CGBARN O=[N+]([O-])c1cc(Br)cnc1NC1CCCC1 ZINC000038537011 280356747 /nfs/dbraw/zinc/35/67/47/280356747.db2.gz HWETUADXWHBETB-UHFFFAOYSA-N 0 0 286.129 3.107 50 5 CGBARN Cc1cc(Cl)c(Br)cc1[N+](=O)[O-] ZINC000035635948 280500509 /nfs/dbraw/zinc/50/05/09/280500509.db2.gz AYBMAXWOTGLSBQ-UHFFFAOYSA-N 0 0 250.479 3.319 50 5 CGBARN Cc1cc(N2Cc3ccccc3[C@@H]2C)ncc1[N+](=O)[O-] ZINC000253427602 280590254 /nfs/dbraw/zinc/59/02/54/280590254.db2.gz WNCIQKJYMLVYEZ-NSHDSACASA-N 0 0 269.304 3.379 50 5 CGBARN CCN(Cc1csc(C)n1)Cc1ccccc1[N+](=O)[O-] ZINC000095960507 185043646 /nfs/dbraw/zinc/04/36/46/185043646.db2.gz YPXXAZXRTYSQRP-UHFFFAOYSA-N 0 0 291.376 3.382 50 5 CGBARN c1[nH]c2nc3nc4ccccc4c-3nn2c1-c1ccccc1 ZINC000017723118 344888534 /nfs/dbraw/zinc/88/85/34/344888534.db2.gz FKLSLJWNNIQHEH-UHFFFAOYSA-N 0 0 285.310 3.426 50 5 CGBARN Nc1ccc2nc3c4cccc5cccc(c(=O)n3c2c1)c54 ZINC000019909669 344890891 /nfs/dbraw/zinc/89/08/91/344890891.db2.gz PTZBZXYKZVSRJH-UHFFFAOYSA-N 0 0 285.306 3.174 50 5 CGBARN Cc1nnc([C@H](Nc2ccc([N+](=O)[O-])c(C)c2)C(C)C)[nH]1 ZINC000079022775 345628698 /nfs/dbraw/zinc/62/86/98/345628698.db2.gz WCIBQIWEPDDZLN-CYBMUJFWSA-N 0 0 289.339 3.139 50 5 CGBARN CCNc1ccc(Br)c(C)c1[N+](=O)[O-] ZINC000306758636 346457073 /nfs/dbraw/zinc/45/70/73/346457073.db2.gz ULXCBEMOYBJIAJ-UHFFFAOYSA-N 0 0 259.103 3.098 50 5 CGBARN O=[N+]([O-])c1ccc(CNc2cccc(CO)c2)c(Cl)c1 ZINC000180886025 189281887 /nfs/dbraw/zinc/28/18/87/189281887.db2.gz SCNJWGUZHXALAA-UHFFFAOYSA-N 0 0 292.722 3.353 50 5 CGBARN COc1ccc2c(c1)N[C@@H](c1ccc([N+](=O)[O-])s1)N2 ZINC000000094473 368288116 /nfs/dbraw/zinc/28/81/16/368288116.db2.gz KMHVBYNBCURRQT-LBPRGKRZSA-N 0 0 277.305 3.201 50 5 CGBARN Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)nc1 ZINC000000240697 368322978 /nfs/dbraw/zinc/32/29/78/368322978.db2.gz DJTYFBQRGWKZPU-UHFFFAOYSA-N 0 0 291.694 3.204 50 5 CGBARN CCOc1ccccc1OC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000000149160 368302093 /nfs/dbraw/zinc/30/20/93/368302093.db2.gz CCHFHNMYPPZNHU-UHFFFAOYSA-N 0 0 287.271 3.213 50 5 CGBARN c1ccc(-c2nc3nonc3c3nc4ccccc4n32)cc1 ZINC000000170526 368308218 /nfs/dbraw/zinc/30/82/18/368308218.db2.gz UQVFPELVKBDQIB-UHFFFAOYSA-N 0 0 287.282 3.086 50 5 aggregator CGBARN CCC[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000000457257 368370838 /nfs/dbraw/zinc/37/08/38/368370838.db2.gz DNGCKAOEMWTIES-MRVPVSSYSA-N 0 0 254.261 3.109 50 5 CGBARN C[C@@H]1C[C@@H](C)CN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000000288651 368333243 /nfs/dbraw/zinc/33/32/43/368333243.db2.gz QCWPCSVUNDHRPB-NXEZZACHSA-N 0 0 296.754 3.366 50 5 CGBARN COc1ccc(-c2csc(C)n2)cc1[N+](=O)[O-] ZINC000000314013 368339328 /nfs/dbraw/zinc/33/93/28/368339328.db2.gz YMHNOGHVCMWEDN-UHFFFAOYSA-N 0 0 250.279 3.035 50 5 CGBARN CC(=O)[C@@H](C)Sc1ccc(Cl)cc1[N+](=O)[O-] ZINC000000339730 368342996 /nfs/dbraw/zinc/34/29/96/368342996.db2.gz ZOVXKZDFNPZXQS-SSDOTTSWSA-N 0 0 259.714 3.318 50 5 CGBARN Cc1cccc(C(=O)Nc2ccc(F)c(F)c2)c1[N+](=O)[O-] ZINC000000465589 368372686 /nfs/dbraw/zinc/37/26/86/368372686.db2.gz DRIRHDYWPYTGTE-UHFFFAOYSA-N 0 0 292.241 3.434 50 5 CGBARN Cc1cc(F)ccc1NC(=O)c1ccccc1[N+](=O)[O-] ZINC000000373913 368351977 /nfs/dbraw/zinc/35/19/77/368351977.db2.gz CIIWVWRVGCXNPV-UHFFFAOYSA-N 0 0 274.251 3.295 50 5 CGBARN C[C@H]1C[C@H](C)CN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C1 ZINC000000473755 368375312 /nfs/dbraw/zinc/37/53/12/368375312.db2.gz HMBWCLZWWZMIHT-BVAIOKDQSA-N 0 0 288.347 3.113 50 5 CGBARN C[C@H](O)Cn1c2ccccc2c2cc([N+](=O)[O-])ccc21 ZINC000000502589 368379789 /nfs/dbraw/zinc/37/97/89/368379789.db2.gz JATCPSXWRIFLAF-JTQLQIEISA-N 0 0 270.288 3.084 50 5 CGBARN O=C(Nc1cccc2ncccc21)c1cccc([N+](=O)[O-])c1 ZINC000000556408 368387285 /nfs/dbraw/zinc/38/72/85/368387285.db2.gz NFCCNNQMZRDADV-UHFFFAOYSA-N 0 0 293.282 3.395 50 5 CGBARN CCOC(=O)c1cccc(C(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000002392597 368454864 /nfs/dbraw/zinc/45/48/64/368454864.db2.gz QVMUGSVFXYKCDJ-UHFFFAOYSA-N 0 0 299.282 3.003 50 5 CGBARN O=C(/C=C/c1ccccc1[N+](=O)[O-])Oc1ccccc1 ZINC000003332000 368503260 /nfs/dbraw/zinc/50/32/60/368503260.db2.gz LFESLSUUKJWGKC-ZHACJKMWSA-N 0 0 269.256 3.214 50 5 CGBARN O=C(CCOc1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000004036896 368529001 /nfs/dbraw/zinc/52/90/01/368529001.db2.gz YLMWLGRADJGMMS-UHFFFAOYSA-N 0 0 286.287 3.002 50 5 CGBARN O=[N+]([O-])c1ccc(-c2cc(C(F)(F)F)[nH]n2)cc1 ZINC000004137086 368532592 /nfs/dbraw/zinc/53/25/92/368532592.db2.gz KYOCIIJIVXLVDR-UHFFFAOYSA-N 0 0 257.171 3.004 50 5 CGBARN Cc1cc(C(=O)NCC2CCCCC2)ccc1[N+](=O)[O-] ZINC000003549787 368513427 /nfs/dbraw/zinc/51/34/27/368513427.db2.gz GRXNMIHMDPPKLN-UHFFFAOYSA-N 0 0 276.336 3.213 50 5 CGBARN Cc1ccc(-n2cccc2C(=O)C(F)(F)F)c([N+](=O)[O-])c1 ZINC000004364704 368544826 /nfs/dbraw/zinc/54/48/26/368544826.db2.gz LOKLKUZLPWPJEP-UHFFFAOYSA-N 0 0 298.220 3.439 50 5 CGBARN CC(C)c1csc(NC(=O)c2cccc([N+](=O)[O-])c2)n1 ZINC000010636989 368585540 /nfs/dbraw/zinc/58/55/40/368585540.db2.gz MNZBXMNQXGUAFL-UHFFFAOYSA-N 0 0 291.332 3.427 50 5 CGBARN O=C(NCCCC1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000031145775 368912666 /nfs/dbraw/zinc/91/26/66/368912666.db2.gz UMCDQPUBJUPPJG-UHFFFAOYSA-N 0 0 276.336 3.295 50 5 CGBARN CCCNc1ccc([N+](=O)[O-])cc1Br ZINC000037131378 369065390 /nfs/dbraw/zinc/06/53/90/369065390.db2.gz OVOUOGKDIXSQDS-UHFFFAOYSA-N 0 0 259.103 3.179 50 5 CGBARN O=[N+]([O-])c1cccnc1Nc1ccc(Br)cc1 ZINC000059284892 369579551 /nfs/dbraw/zinc/57/95/51/369579551.db2.gz OVWIQCXJXQFDTK-UHFFFAOYSA-N 0 0 294.108 3.496 50 5 CGBARN Cc1cc([N+](=O)[O-])ccc1NC(=O)N1C[C@@H]2CCC[C@@H]2C1 ZINC000162927429 372435112 /nfs/dbraw/zinc/43/51/12/372435112.db2.gz KMCIVXQBDDXXQD-TXEJJXNPSA-N 0 0 289.335 3.167 50 5 CGBARN O=[N+]([O-])c1cccc(SCCO[C@@H]2CCCCO2)c1 ZINC000252487897 377631387 /nfs/dbraw/zinc/63/13/87/377631387.db2.gz IDNBNPKHMLVHNO-CYBMUJFWSA-N 0 0 283.349 3.230 50 5 CGBARN O=[N+]([O-])c1cccc(Oc2nc(C(F)(F)F)ns2)c1 ZINC000347057180 218108318 /nfs/dbraw/zinc/10/83/18/218108318.db2.gz SQVOLLUWCOAJHN-UHFFFAOYSA-N 0 0 291.210 3.257 50 5 CGBARN C[C@H](O)Cn1c2nc3ccccc3c-2nc2ccccc21 ZINC000409417381 380029739 /nfs/dbraw/zinc/02/97/39/380029739.db2.gz FONHEMQFRCXKFJ-NSHDSACASA-N 0 0 277.327 3.070 50 5 CGBARN Cc1cc(C(=O)N2CCc3ccccc32)ccc1[N+](=O)[O-] ZINC000000284812 169597437 /nfs/dbraw/zinc/59/74/37/169597437.db2.gz VIIOXTBNUFLOLN-UHFFFAOYSA-N 0 0 282.299 3.106 50 5 CGBARN CCC[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000000372635 169621445 /nfs/dbraw/zinc/62/14/45/169621445.db2.gz FJQAEIWKLICZKC-JTQLQIEISA-N 0 0 250.298 3.278 50 5 CGBARN O=C(/C=C/c1cccs1)OCc1ccc([N+](=O)[O-])cc1 ZINC000000457462 169645785 /nfs/dbraw/zinc/64/57/85/169645785.db2.gz YOYUGXFQGULSBH-BQYQJAHWSA-N 0 0 289.312 3.413 50 5 CGBARN O=[N+]([O-])c1ccc2c(c1)Oc1nc3ccccc3nc1O2 ZINC000000984199 285144034 /nfs/dbraw/zinc/14/40/34/285144034.db2.gz DKNNNBTWSVIXHS-UHFFFAOYSA-N 0 0 281.227 3.436 50 5 CGBARN O=[N+]([O-])c1cccc(-c2ncc3ccccc3n2)c1 ZINC000075279924 285152649 /nfs/dbraw/zinc/15/26/49/285152649.db2.gz GDPBFVVLLZTDIZ-UHFFFAOYSA-N 0 0 251.245 3.205 50 5 CGBARN O=[N+]([O-])c1cnc(NC2CCCCCC2)c([N+](=O)[O-])c1 ZINC000097943995 285180293 /nfs/dbraw/zinc/18/02/93/285180293.db2.gz LUALYJQKFYZDSO-UHFFFAOYSA-N 0 0 280.284 3.033 50 5 CGBARN C[C@H](NC(=O)/C=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000012383824 256857348 /nfs/dbraw/zinc/85/73/48/256857348.db2.gz XLQHHCZQPNXQRV-NHAQELONSA-N 0 0 296.326 3.485 50 5 CGBARN Cc1c(C(=O)Oc2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000000572110 169670662 /nfs/dbraw/zinc/67/06/62/169670662.db2.gz RSOMTHMOGVQHRE-UHFFFAOYSA-N 0 0 275.235 3.262 50 5 CGBARN CCSC1(CNc2ccccc2[N+](=O)[O-])CCOCC1 ZINC000096420999 392252412 /nfs/dbraw/zinc/25/24/12/392252412.db2.gz UTMZLHMLJIJCCN-UHFFFAOYSA-N 0 0 296.392 3.309 50 5 CGBARN O=[N+]([O-])c1ccc(C(F)(F)F)c(Br)c1 ZINC000085220953 296503393 /nfs/dbraw/zinc/50/33/93/296503393.db2.gz WPUMBZRKLJGMIJ-UHFFFAOYSA-N 0 0 270.004 3.376 50 5 CGBARN O=C(COc1ccccc1[N+](=O)[O-])c1c[nH]c2ccccc21 ZINC000003382114 169883902 /nfs/dbraw/zinc/88/39/02/169883902.db2.gz IDBSLHMAEXLRPM-UHFFFAOYSA-N 0 0 296.282 3.338 50 5 CGBARN CSc1ccc(C(=O)NC2CCCCC2)cc1[N+](=O)[O-] ZINC000003553752 169896577 /nfs/dbraw/zinc/89/65/77/169896577.db2.gz RHOOUJXORVOTOG-UHFFFAOYSA-N 0 0 294.376 3.379 50 5 CGBARN COC(=O)c1ccc(N2CCc3ccccc32)c([N+](=O)[O-])c1 ZINC000004668435 169995947 /nfs/dbraw/zinc/99/59/47/169995947.db2.gz GNBNXKBBMFFTRD-UHFFFAOYSA-N 0 0 298.298 3.076 50 5 CGBARN Cc1cc(C)cc(Nc2ncc([N+](=O)[O-])cc2[N+](=O)[O-])c1 ZINC000004982821 170048649 /nfs/dbraw/zinc/04/86/49/170048649.db2.gz VFBFWGLJUSYCOF-UHFFFAOYSA-N 0 0 288.263 3.258 50 5 CGBARN Cc1cc(C(=O)N(C)c2ccccc2)ccc1[N+](=O)[O-] ZINC000005541161 170110903 /nfs/dbraw/zinc/11/09/03/170110903.db2.gz NULCQLLCHXTELX-UHFFFAOYSA-N 0 0 270.288 3.180 50 5 CGBARN COc1ccc(C(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc1 ZINC000005542887 170111243 /nfs/dbraw/zinc/11/12/43/170111243.db2.gz GCJWJJDWCJFVDI-UHFFFAOYSA-N 0 0 286.287 3.164 50 5 CGBARN Cc1ccc(N[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000007223328 170272963 /nfs/dbraw/zinc/27/29/63/170272963.db2.gz HDLGIGIPIBXXEI-LBPRGKRZSA-N 0 0 299.330 3.342 50 5 CGBARN O=[N+]([O-])c1cccnc1Oc1ccc2ccncc2c1 ZINC000007777712 170301776 /nfs/dbraw/zinc/30/17/76/170301776.db2.gz SABFWTTYKZIBBZ-UHFFFAOYSA-N 0 0 267.244 3.330 50 5 CGBARN O=[N+]([O-])c1cc(Cl)ccc1Oc1cccnc1 ZINC000007902666 170306807 /nfs/dbraw/zinc/30/68/07/170306807.db2.gz KIDNUZYSIYKULM-UHFFFAOYSA-N 0 0 250.641 3.436 50 5 CGBARN CC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000008053640 170316776 /nfs/dbraw/zinc/31/67/76/170316776.db2.gz ILAJMGYQZDSJKR-JTQLQIEISA-N 0 0 285.303 3.366 50 5 CGBARN COC(=O)c1ccccc1-c1cccc([N+](=O)[O-])c1 ZINC000022201658 171372453 /nfs/dbraw/zinc/37/24/53/171372453.db2.gz XRVFDDFISPMXHE-UHFFFAOYSA-N 0 0 257.245 3.048 50 5 CGBARN COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)CCC(C)C ZINC000032744444 171747198 /nfs/dbraw/zinc/74/71/98/171747198.db2.gz TYDHUGLQFBGUSK-LLVKDONJSA-N 0 0 294.351 3.158 50 5 CGBARN COc1ccccc1C[C@H](C)Nc1ncccc1[N+](=O)[O-] ZINC000048300838 416447334 /nfs/dbraw/zinc/44/73/34/416447334.db2.gz REXBSUOUYFCXQE-NSHDSACASA-N 0 0 287.319 3.042 50 5 CGBARN Nc1cc(Cl)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000003885683 260013622 /nfs/dbraw/zinc/01/36/22/260013622.db2.gz AKEPGVUQZMXFOD-UHFFFAOYSA-N 0 0 278.695 3.409 50 5 CGBARN O=C(c1ccc([N+](=O)[O-])o1)N(Cc1cccs1)C1CC1 ZINC000030303900 260140466 /nfs/dbraw/zinc/14/04/66/260140466.db2.gz YYBYZYBRVPJFDZ-UHFFFAOYSA-N 0 0 292.316 3.054 50 5 CGBARN O=C1O/C(=C\c2ccccc2)c2ccc([N+](=O)[O-])cc21 ZINC000000480626 275026545 /nfs/dbraw/zinc/02/65/45/275026545.db2.gz RWEIQGLZAWVMHU-ZSOIEALJSA-N 0 0 267.240 3.263 50 5 CGBARN O=c1oc2ccccc2c2nc3cc4c(cc3cc12)OCO4 ZINC000004784952 275044432 /nfs/dbraw/zinc/04/44/32/275044432.db2.gz YDAOHNMFVOHDTC-UHFFFAOYSA-N 0 0 291.262 3.223 50 5 CGBARN CCC[C@@H]1[C@@H](C)CCCN1c1ccc([N+](=O)[O-])cn1 ZINC000084740584 276034221 /nfs/dbraw/zinc/03/42/21/276034221.db2.gz ZXGAJGQMXVHRTN-WCQYABFASA-N 0 0 263.341 3.395 50 5 CGBARN CCOC(=O)c1cc2c(ccc3ccccc32)oc1=O ZINC000000193701 276297588 /nfs/dbraw/zinc/29/75/88/276297588.db2.gz FYOZSKRVTISLHE-UHFFFAOYSA-N 0 0 268.268 3.123 50 5 biogenic CGBARN C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2O1 ZINC000041155787 277855469 /nfs/dbraw/zinc/85/54/69/277855469.db2.gz ODQFLPQZYKYSNG-LLVKDONJSA-N 0 0 298.298 3.023 50 5 CGBARN COc1ccc(-c2nc3ccc([N+](=O)[O-])cn3c2C)cc1 ZINC000082238029 277862300 /nfs/dbraw/zinc/86/23/00/277862300.db2.gz LCOALWRTWBVRRL-UHFFFAOYSA-N 0 0 283.287 3.227 50 5 CGBARN Cc1cccc(C)c1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000000290996 281210803 /nfs/dbraw/zinc/21/08/03/281210803.db2.gz WBLNADQPUSRQIV-UHFFFAOYSA-N 0 0 270.288 3.464 50 5 CGBARN Cc1csc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)n1 ZINC000003561993 293048117 /nfs/dbraw/zinc/04/81/17/293048117.db2.gz FKVWOXZMHFVJDM-UHFFFAOYSA-N 0 0 297.723 3.265 50 5 CGBARN O=[N+]([O-])c1ccc2[nH]c(-c3ccc(F)cc3)nc2c1 ZINC000033559376 326900708 /nfs/dbraw/zinc/90/07/08/326900708.db2.gz FAHRDVODAHLFLE-UHFFFAOYSA-N 0 0 257.224 3.277 50 5 CGBARN CCCCCOc1ccc(Cn2ccnc2)cc1[N+](=O)[O-] ZINC000001792000 528235393 /nfs/dbraw/zinc/23/53/93/528235393.db2.gz NWOVMCPAEWSAEF-UHFFFAOYSA-N 0 0 289.335 3.409 50 5 CGBARN O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1CCc2ccccc21 ZINC000033599389 624365798 /nfs/dbraw/zinc/36/57/98/624365798.db2.gz WPQIZPDOIZGDGQ-YFHOEESVSA-N 0 0 294.310 3.197 50 5 CGBARN O=[N+]([O-])[C@@]1(Br)CCC[C@H](C(F)(F)F)C1 ZINC000958528119 640826960 /nfs/dbraw/zinc/82/69/60/640826960.db2.gz JUZVZGCZILIHFA-WDSKDSINSA-N 0 0 276.052 3.107 50 5 CGBARN CNc1ccccc1-n1cnc(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000000444863 640923995 /nfs/dbraw/zinc/92/39/95/640923995.db2.gz HDDYDCXLIIJZAS-UHFFFAOYSA-N 0 0 294.314 3.489 50 5 CGBARN C[C@@H](CNc1ccncc1[N+](=O)[O-])c1nc2ccccc2o1 ZINC000096446573 230374673 /nfs/dbraw/zinc/37/46/73/230374673.db2.gz FNLLUZLXIQUGHT-JTQLQIEISA-N 0 0 298.302 3.347 50 5 CGBARN O=[N+]([O-])c1c(F)cc(Br)cc1Cl ZINC000144810076 346118888 /nfs/dbraw/zinc/11/88/88/346118888.db2.gz IFMKSRRGSJWPDT-UHFFFAOYSA-N 0 0 254.442 3.150 50 5 CGBARN COC(=O)c1cc(-c2ccccc2)cc([N+](=O)[O-])c1 ZINC000097757067 185662310 /nfs/dbraw/zinc/66/23/10/185662310.db2.gz FZUCZSWJAUYLMI-UHFFFAOYSA-N 0 0 257.245 3.048 50 5 CGBARN Cc1nn([C@H](C)c2ncc(C(C)(C)C)o2)c(C)c1[N+](=O)[O-] ZINC000089124264 179711965 /nfs/dbraw/zinc/71/19/65/179711965.db2.gz JRZPXDPPBIYOLU-SNVBAGLBSA-N 0 0 292.339 3.303 50 5 CGBARN CCc1ccccc1NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000000246142 368324821 /nfs/dbraw/zinc/32/48/21/368324821.db2.gz MDEBWTDAVKDBHH-UHFFFAOYSA-N 0 0 260.249 3.003 50 5 CGBARN Cc1ccc2c(c1)O[C@H](c1ccc([N+](=O)[O-])s1)N2 ZINC000000094471 368287816 /nfs/dbraw/zinc/28/78/16/368287816.db2.gz GPZDMWVKPJXJBS-GFCCVEGCSA-N 0 0 262.290 3.468 50 5 CGBARN O=C(C[C@@H]1OC(=O)c2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000000099207 368289103 /nfs/dbraw/zinc/28/91/03/368289103.db2.gz HZCOAGLFMSQFSO-HNNXBMFYSA-N 0 0 297.266 3.079 50 5 CGBARN Cc1ccc(/C=C/C(=O)Nc2cccc([N+](=O)[O-])c2C)o1 ZINC000000106400 368291654 /nfs/dbraw/zinc/29/16/54/368291654.db2.gz MUIFSDOQEPWLIN-CMDGGOBGSA-N 0 0 286.287 3.457 50 5 CGBARN Cc1cc(C)n(-c2ccc(C(F)(F)F)cc2[N+](=O)[O-])n1 ZINC000000172512 368308361 /nfs/dbraw/zinc/30/83/61/368308361.db2.gz LHTJBSHDDMLMGH-UHFFFAOYSA-N 0 0 285.225 3.416 50 5 CGBARN Cc1nc2ccccc2n1CCOc1ccc([N+](=O)[O-])cc1 ZINC000000255359 368325471 /nfs/dbraw/zinc/32/54/71/368325471.db2.gz IELBMTPOEINEAN-UHFFFAOYSA-N 0 0 297.314 3.332 50 5 CGBARN O=C(NCc1cccs1)c1cc([N+](=O)[O-])ccc1Cl ZINC000000376476 368352833 /nfs/dbraw/zinc/35/28/33/368352833.db2.gz NAGRBGSZEKYLBB-UHFFFAOYSA-N 0 0 296.735 3.240 50 5 CGBARN COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(C)cc1 ZINC000000437859 368366152 /nfs/dbraw/zinc/36/61/52/368366152.db2.gz MHQWXCLNBGBCSQ-UHFFFAOYSA-N 0 0 286.287 3.164 50 5 CGBARN CC(C)N(C(=O)/C=C/c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000000474436 368375573 /nfs/dbraw/zinc/37/55/73/368375573.db2.gz WOTXUULCOCEREP-JXMROGBWSA-N 0 0 276.336 3.253 50 5 CGBARN COc1ccc(-c2nc3cc([N+](=O)[O-])ccc3o2)cc1 ZINC000000801236 368394969 /nfs/dbraw/zinc/39/49/69/368394969.db2.gz OYZLPDKVJTUVOZ-UHFFFAOYSA-N 0 0 270.244 3.412 50 5 CGBARN Cc1ccc(NC(=O)NCCc2ccccc2)cc1[N+](=O)[O-] ZINC000002172215 368448989 /nfs/dbraw/zinc/44/89/89/368448989.db2.gz GOICDDDENDQBEJ-UHFFFAOYSA-N 0 0 299.330 3.267 50 5 CGBARN COc1ccccc1-c1noc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000002885350 368483522 /nfs/dbraw/zinc/48/35/22/368483522.db2.gz BQNYJZZAKQEAKW-UHFFFAOYSA-N 0 0 297.270 3.320 50 5 CGBARN Cc1cccc(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000003105992 368491474 /nfs/dbraw/zinc/49/14/74/368491474.db2.gz XWWFGZVUYHDJDN-UHFFFAOYSA-N 0 0 270.288 3.464 50 5 CGBARN Cc1cc(Oc2ncnc(N)c2[N+](=O)[O-])cc(C(C)C)c1 ZINC000003912749 368524377 /nfs/dbraw/zinc/52/43/77/368524377.db2.gz QUPUAJKIPBMVMR-UHFFFAOYSA-N 0 0 288.307 3.191 50 5 CGBARN COC(=O)c1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000004006281 368525968 /nfs/dbraw/zinc/52/59/68/368525968.db2.gz XLZUUZMFAKIMLB-UHFFFAOYSA-N 0 0 273.244 3.174 50 5 CGBARN Cc1csc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)n1 ZINC000003561997 368514431 /nfs/dbraw/zinc/51/44/31/368514431.db2.gz BEJRSQPYMPNIRM-QPJJXVBHSA-N 0 0 289.316 3.012 50 5 CGBARN C[C@@H]1CCC[C@H](NC(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1C ZINC000004680564 368556158 /nfs/dbraw/zinc/55/61/58/368556158.db2.gz VFAVJEWMCUMXJP-GYSYKLTISA-N 0 0 276.336 3.149 50 5 CGBARN C[C@@H]1CCCN(C(=S)c2ccc([N+](=O)[O-])cc2)C1 ZINC000004680608 368557090 /nfs/dbraw/zinc/55/70/90/368557090.db2.gz QSRLXVACMDPTSE-SNVBAGLBSA-N 0 0 264.350 3.002 50 5 CGBARN O=[N+]([O-])c1ccn(Cc2ccc(Cl)c(Cl)c2)n1 ZINC000004291276 368540419 /nfs/dbraw/zinc/54/04/19/368540419.db2.gz IYWRZKLNKGRWRB-UHFFFAOYSA-N 0 0 272.091 3.146 50 5 CGBARN CCCCN1C(=O)c2cccc3cc([N+](=O)[O-])cc(c32)C1=O ZINC000004381487 368544650 /nfs/dbraw/zinc/54/46/50/368544650.db2.gz RVCYQIDYQSLHIB-UHFFFAOYSA-N 0 0 298.298 3.144 50 5 CGBARN O=C(Nc1ccccc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000004582966 368551422 /nfs/dbraw/zinc/55/14/22/368551422.db2.gz QHHPMKKJBURYIQ-UHFFFAOYSA-N 0 0 257.249 3.239 50 5 CGBARN O=C(Nc1cc(F)ccc1F)c1ccc([N+](=O)[O-])s1 ZINC000012772339 368626808 /nfs/dbraw/zinc/62/68/08/368626808.db2.gz PZLPTZIPEDHBKU-UHFFFAOYSA-N 0 0 284.243 3.187 50 5 CGBARN O=[N+]([O-])c1cccc(CN2CCc3ccccc3C2)c1 ZINC000019537044 368756230 /nfs/dbraw/zinc/75/62/30/368756230.db2.gz QBJNCUIXIUYYKO-UHFFFAOYSA-N 0 0 268.316 3.153 50 5 CGBARN O=C(Nc1ccc2ccccc2n1)c1ccc([N+](=O)[O-])s1 ZINC000024976192 368837385 /nfs/dbraw/zinc/83/73/85/368837385.db2.gz JFCNCWRKKZJBQD-UHFFFAOYSA-N 0 0 299.311 3.457 50 5 CGBARN Cc1cccc(C(=O)N(C)[C@@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC000025836720 368853038 /nfs/dbraw/zinc/85/30/38/368853038.db2.gz DYCNTPVZWURNGY-LBPRGKRZSA-N 0 0 299.330 3.131 50 5 CGBARN C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)C[C@@H]1C=CCC1 ZINC000032748288 368943121 /nfs/dbraw/zinc/94/31/21/368943121.db2.gz YDVYKFHJGZWLOR-CHWSQXEVSA-N 0 0 288.347 3.471 50 5 CGBARN CC(C)(C)C(=O)COc1ccc([N+](=O)[O-])cc1Cl ZINC000037974516 369128443 /nfs/dbraw/zinc/12/84/43/369128443.db2.gz YJJVHKPUKRFGJM-UHFFFAOYSA-N 0 0 271.700 3.242 50 5 CGBARN O=[N+]([O-])c1c[nH]nc1Sc1nc2ccccc2s1 ZINC000047218771 369309865 /nfs/dbraw/zinc/30/98/65/369309865.db2.gz VEXNQJNRBJBDLX-UHFFFAOYSA-N 0 0 278.318 3.079 50 5 CGBARN O=C1c2ccc([N+](=O)[O-])cc2N[C@@H]2CCCCC[C@@H]12 ZINC000226759928 189777900 /nfs/dbraw/zinc/77/79/00/189777900.db2.gz PWENJZSMQGTTKI-ZYHUDNBSSA-N 0 0 260.293 3.152 50 5 CGBARN CCOc1cccc(N(C)Cc2cccnc2)c1[N+](=O)[O-] ZINC000097140602 370230793 /nfs/dbraw/zinc/23/07/93/370230793.db2.gz WHFOHLCEPDYGJH-UHFFFAOYSA-N 0 0 287.319 3.025 50 5 CGBARN O=[N+]([O-])c1ccccc1-c1ccc(CNc2ncccn2)o1 ZINC000187925640 375118623 /nfs/dbraw/zinc/11/86/23/375118623.db2.gz YSJJWDJCIWZYJZ-UHFFFAOYSA-N 0 0 296.286 3.257 50 5 CGBARN C[C@@H](Nc1ccc(Cl)cc1[N+](=O)[O-])c1cn[nH]c1 ZINC000231676907 376564446 /nfs/dbraw/zinc/56/44/46/376564446.db2.gz IZWVEICEECFVSW-SSDOTTSWSA-N 0 0 266.688 3.144 50 5 CGBARN O=C(c1ccc([N+](=O)[O-])cc1)N1CCCc2ccccc21 ZINC000000258639 284667094 /nfs/dbraw/zinc/66/70/94/284667094.db2.gz RAJLMRFUCSSKPK-UHFFFAOYSA-N 0 0 282.299 3.188 50 5 CGBARN CC(=O)c1ccc(NC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000004079355 184530883 /nfs/dbraw/zinc/53/08/83/184530883.db2.gz PRUOACHZKGXVIJ-UHFFFAOYSA-N 0 0 299.286 3.441 50 5 CGBARN O=[N+]([O-])c1ccc(N2CCC[C@H]2c2cccs2)nc1 ZINC000025370591 285125092 /nfs/dbraw/zinc/12/50/92/285125092.db2.gz PSEQIJZJFXYAGH-NSHDSACASA-N 0 0 275.333 3.393 50 5 CGBARN O=[N+]([O-])c1cnc2nc(-c3ccc(Cl)cc3)oc2c1 ZINC000096345914 285187164 /nfs/dbraw/zinc/18/71/64/285187164.db2.gz ISBHLYBUMFYUMO-UHFFFAOYSA-N 0 0 275.651 3.451 50 5 CGBARN Cc1cc(C(=O)OCc2ccccc2F)ccc1[N+](=O)[O-] ZINC000001074965 169689520 /nfs/dbraw/zinc/68/95/20/169689520.db2.gz SVWGFUMFIWMCDF-UHFFFAOYSA-N 0 0 289.262 3.399 50 5 CGBARN CN(C(=O)c1ccc2cc[nH]c2c1)c1cccc([N+](=O)[O-])c1 ZINC000095436578 184984318 /nfs/dbraw/zinc/98/43/18/184984318.db2.gz QNXBTTISXUFVKX-UHFFFAOYSA-N 0 0 295.298 3.353 50 5 CGBARN CCC(CC)C(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000004614090 169989430 /nfs/dbraw/zinc/98/94/30/169989430.db2.gz PIZMHVXAIYKFFM-UHFFFAOYSA-N 0 0 250.298 3.278 50 5 CGBARN CCCCSc1cc2nc(C)[nH]c(=O)c2c([N+](=O)[O-])c1 ZINC000004632414 169991646 /nfs/dbraw/zinc/99/16/46/169991646.db2.gz NAIOOHFTJMRBOK-UHFFFAOYSA-N 0 0 293.348 3.032 50 5 CGBARN O=C(Nc1cc(F)ccc1[N+](=O)[O-])c1c(F)cccc1F ZINC000004812517 170021493 /nfs/dbraw/zinc/02/14/93/170021493.db2.gz VJXRQOZFDROFGJ-UHFFFAOYSA-N 0 0 296.204 3.264 50 5 CGBARN O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccc2c(c1)CCC2 ZINC000008269954 170327853 /nfs/dbraw/zinc/32/78/53/170327853.db2.gz YCABMMCPCZFARB-UHFFFAOYSA-N 0 0 296.326 3.265 50 5 CGBARN O=C(c1cccc([N+](=O)[O-])c1)N1CCC[C@@H]2CCCC[C@H]21 ZINC000008406598 170335227 /nfs/dbraw/zinc/33/52/27/170335227.db2.gz PAYZXRVLYVNQGZ-SWLSCSKDSA-N 0 0 288.347 3.390 50 5 CGBARN CN(Cc1ccccc1F)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000010030085 170395681 /nfs/dbraw/zinc/39/56/81/170395681.db2.gz UUIYFLBAAILKML-UHFFFAOYSA-N 0 0 288.278 3.006 50 5 CGBARN Cc1cc([N+](=O)[O-])ccc1NC(=O)NCc1cccs1 ZINC000017022583 170721819 /nfs/dbraw/zinc/72/18/19/170721819.db2.gz SCNZUJCSYQHIBJ-UHFFFAOYSA-N 0 0 291.332 3.286 50 5 CGBARN Cc1c(C(=O)Nc2ccc3n[nH]cc3c2)cccc1[N+](=O)[O-] ZINC000020479277 171221868 /nfs/dbraw/zinc/22/18/68/171221868.db2.gz GIRZUDNYCZZJIS-UHFFFAOYSA-N 0 0 296.286 3.032 50 5 CGBARN Cc1cc(C(=O)N2CCC[C@H]2c2ccc[nH]2)ccc1[N+](=O)[O-] ZINC000058218041 175612406 /nfs/dbraw/zinc/61/24/06/175612406.db2.gz AQPLXYYHXRTHIZ-HNNXBMFYSA-N 0 0 299.330 3.209 50 5 CGBARN COc1ccc(CSCc2cc(C)no2)cc1[N+](=O)[O-] ZINC000078555615 177354006 /nfs/dbraw/zinc/35/40/06/177354006.db2.gz SEFXSUQBCWJANJ-UHFFFAOYSA-N 0 0 294.332 3.333 50 5 CGBARN CC[C@@](C)(c1ccc([N+](=O)[O-])cc1)C(C)(C)[N+](=O)[O-] ZINC000003080650 287399373 /nfs/dbraw/zinc/39/93/73/287399373.db2.gz MECZACIVDFZVTL-ZDUSSCGKSA-N 0 0 266.297 3.318 50 5 CGBARN CC1CCN(c2nc3ccc([N+](=O)[O-])cc3s2)CC1 ZINC000000267875 273600113 /nfs/dbraw/zinc/60/01/13/273600113.db2.gz YLXNJROEQOEODN-UHFFFAOYSA-N 0 0 277.349 3.441 50 5 CGBARN O=[N+]([O-])c1ccc(C2=NOc3cc(Cl)ccc3N2)cc1 ZINC000000052690 275035198 /nfs/dbraw/zinc/03/51/98/275035198.db2.gz PHCVBVNBDZCMKA-UHFFFAOYSA-N 0 0 289.678 3.414 50 5 CGBARN O=c1cc(-c2ccc([N+](=O)[O-])cc2)c2ccccc2[nH]1 ZINC000000240502 280393458 /nfs/dbraw/zinc/39/34/58/280393458.db2.gz HJEFQYCNOQBIQP-UHFFFAOYSA-N 0 0 266.256 3.103 50 5 CGBARN CC1=CC(C)(C)NC(=S)N1c1ccc([N+](=O)[O-])cc1 ZINC000005421581 281670000 /nfs/dbraw/zinc/67/00/00/281670000.db2.gz CPIHDWICCAVJDB-UHFFFAOYSA-N 0 0 277.349 3.383 50 5 CGBARN CCOc1ccc(NC(=O)c2cccs2)c([N+](=O)[O-])c1 ZINC000004069937 528551634 /nfs/dbraw/zinc/55/16/34/528551634.db2.gz NQUGHEMKVNVREP-UHFFFAOYSA-N 0 0 292.316 3.307 50 5 CGBARN C[C@@H]1CC(C)(C)C[C@@](Br)([N+](=O)[O-])C1 ZINC000958528863 640827007 /nfs/dbraw/zinc/82/70/07/640827007.db2.gz XEKBCHSLQYFJLS-APPZFPTMSA-N 0 0 250.136 3.201 50 5 CGBARN C[C@@H]1N=C(c2ccccc2)[C@@H]2[C@@H](c3ccc([N+](=O)[O-])cc3)N21 ZINC000096124709 185103965 /nfs/dbraw/zinc/10/39/65/185103965.db2.gz ISUZSEZPBMLKRZ-IPTKEEEKSA-N 0 0 293.326 3.169 50 5 CGBARN O=[N+]([O-])c1ccc([C@@H]2CC(c3ccccc3)=NO2)cc1 ZINC000075283245 345499692 /nfs/dbraw/zinc/49/96/92/345499692.db2.gz RORGUEDFAAJDGU-HNNXBMFYSA-N 0 0 268.272 3.461 50 5 CGBARN COc1ccc(-c2ccccc2[N+](=O)[O-])cc1C=O ZINC000220196154 346296235 /nfs/dbraw/zinc/29/62/35/346296235.db2.gz XQJWGUPTQHFICY-UHFFFAOYSA-N 0 0 257.245 3.083 50 5 CGBARN Cc1ccnc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000000038990 368274288 /nfs/dbraw/zinc/27/42/88/368274288.db2.gz QQNPAXBOTBDGML-UHFFFAOYSA-N 0 0 291.694 3.204 50 5 CGBARN O=[N+]([O-])c1cccnc1Oc1ccc(F)cc1F ZINC000000093330 368287190 /nfs/dbraw/zinc/28/71/90/368287190.db2.gz WZRAMZMIQUBNMG-UHFFFAOYSA-N 0 0 252.176 3.060 50 5 CGBARN Cc1ccc(C(=O)NC2CCCCCC2)cc1[N+](=O)[O-] ZINC000000102050 368289121 /nfs/dbraw/zinc/28/91/21/368289121.db2.gz ODUUFWAYFKKGLL-UHFFFAOYSA-N 0 0 276.336 3.356 50 5 CGBARN O=c1cc(C(F)(F)C(F)F)oc2ccc([N+](=O)[O-])cc12 ZINC000000112344 368293917 /nfs/dbraw/zinc/29/39/17/368293917.db2.gz GOGQOMSXFADJKL-UHFFFAOYSA-N 0 0 291.156 3.058 50 5 CGBARN Cc1ccc(C(=O)N(C)C2CCCCC2)cc1[N+](=O)[O-] ZINC000000176817 368310195 /nfs/dbraw/zinc/31/01/95/368310195.db2.gz KKQCOYDDVJWEEF-UHFFFAOYSA-N 0 0 276.336 3.308 50 5 CGBARN COc1nc(-c2cccc([N+](=O)[O-])c2)nc2ccccc21 ZINC000000521162 368382422 /nfs/dbraw/zinc/38/24/22/368382422.db2.gz IVBSXXZHDBWYRK-UHFFFAOYSA-N 0 0 281.271 3.214 50 5 CGBARN C[C@@H]1CCC[C@H](OC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000001511542 368417855 /nfs/dbraw/zinc/41/78/55/368417855.db2.gz KBZMEHXPBKOFCY-MFKMUULPSA-N 0 0 263.293 3.330 50 5 CGBARN Cc1ccc([C@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)o1 ZINC000003289682 368500300 /nfs/dbraw/zinc/50/03/00/368500300.db2.gz FCTUTLDYAWDQFR-CYBMUJFWSA-N 0 0 270.288 3.478 50 5 CGBARN Cc1ccc(Nc2c3nonc3ccc2[N+](=O)[O-])c(C)c1 ZINC000003904280 368523451 /nfs/dbraw/zinc/52/34/51/368523451.db2.gz HPPNNSDDAZKYCA-UHFFFAOYSA-N 0 0 284.275 3.491 50 5 CGBARN CC(=O)Nc1cc2c(cc1[N+](=O)[O-])-c1ccc(F)cc1C2 ZINC000004759492 368558805 /nfs/dbraw/zinc/55/88/05/368558805.db2.gz OUBNNQNTRIFOIY-UHFFFAOYSA-N 0 0 286.262 3.264 50 5 CGBARN O=[N+]([O-])c1ccc(Nc2ccc(F)cc2)c2nonc21 ZINC000004362014 368545024 /nfs/dbraw/zinc/54/50/24/368545024.db2.gz SBKKMTLEDRSXCH-UHFFFAOYSA-N 0 0 274.211 3.014 50 5 CGBARN CCCC[C@@H](CC)C(=O)Nc1ncc([N+](=O)[O-])s1 ZINC000004506203 368548719 /nfs/dbraw/zinc/54/87/19/368548719.db2.gz HSPKPPHNQJNEDV-MRVPVSSYSA-N 0 0 271.342 3.206 50 5 CGBARN O=[N+]([O-])c1cc(F)ccc1N1CCc2ccccc21 ZINC000007185854 368570434 /nfs/dbraw/zinc/57/04/34/368570434.db2.gz JYTBTLRNYTXDAY-UHFFFAOYSA-N 0 0 258.252 3.428 50 5 CGBARN Cc1ccc2c(n1)sc1c2nnn2c3ccccc3nc12 ZINC000012462686 368614832 /nfs/dbraw/zinc/61/48/32/368614832.db2.gz UOUIDEYQGKFIDC-UHFFFAOYSA-N 0 0 291.339 3.349 50 5 CGBARN Cc1c(NC(=O)Cc2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000012736175 368625801 /nfs/dbraw/zinc/62/58/01/368625801.db2.gz FMTFFFVERQFZOU-UHFFFAOYSA-N 0 0 288.278 3.224 50 5 CGBARN Cc1ccc(C(=O)Oc2ccc(F)cc2[N+](=O)[O-])cc1 ZINC000012954500 368636719 /nfs/dbraw/zinc/63/67/19/368636719.db2.gz SLZLEUGLYSNQHE-UHFFFAOYSA-N 0 0 275.235 3.262 50 5 CGBARN O=[N+]([O-])c1cccc(Oc2cccc([N+](=O)[O-])c2)c1 ZINC000020095926 368801713 /nfs/dbraw/zinc/80/17/13/368801713.db2.gz QYBOKWQLGVZMHF-UHFFFAOYSA-N 0 0 260.205 3.295 50 5 CGBARN Cc1ccc(CN(c2ccc([N+](=O)[O-])cn2)C2CC2)cc1 ZINC000026717741 368863819 /nfs/dbraw/zinc/86/38/19/368863819.db2.gz LHBZHXXXSRHTCG-UHFFFAOYSA-N 0 0 283.331 3.467 50 5 CGBARN O=[N+]([O-])c1ccc(NCc2cccc(O)c2)c2ccncc21 ZINC000054125062 369496186 /nfs/dbraw/zinc/49/61/86/369496186.db2.gz GPMFXFQXRROMME-UHFFFAOYSA-N 0 0 295.298 3.461 50 5 CGBARN O=[N+]([O-])c1ccc2c(cnn2Cc2ccc(F)cc2)c1 ZINC000073698715 369864313 /nfs/dbraw/zinc/86/43/13/369864313.db2.gz XZTQOLZBKIYIQF-UHFFFAOYSA-N 0 0 271.251 3.132 50 5 CGBARN CCS[C@H]1CCCC[C@@H]1Nc1ncccc1[N+](=O)[O-] ZINC000075105364 369895136 /nfs/dbraw/zinc/89/51/36/369895136.db2.gz WMTSXWXMNNFWFX-JQWIXIFHSA-N 0 0 281.381 3.466 50 5 CGBARN CC(C)Cn1ccnc1CNc1ccc([N+](=O)[O-])cc1 ZINC000095429650 370191274 /nfs/dbraw/zinc/19/12/74/370191274.db2.gz JHWPXQORTHCVMM-UHFFFAOYSA-N 0 0 274.324 3.059 50 5 CGBARN C[C@@H]1CCc2nc(N)c3c(c4ccccc4oc3=O)c2C1 ZINC000103571403 370332231 /nfs/dbraw/zinc/33/22/31/370332231.db2.gz YZQNEAUAAMPGIY-SECBINFHSA-N 0 0 280.327 3.048 50 5 CGBARN Cc1cccc2c1OCC[C@@H]2Nc1ncc([N+](=O)[O-])s1 ZINC000192548271 375764554 /nfs/dbraw/zinc/76/45/54/375764554.db2.gz OMOZAGRMSXDICH-JTQLQIEISA-N 0 0 291.332 3.295 50 5 CGBARN CC1CCN(c2ccc([N+](=O)[O-])c(NC3CC3)c2)CC1 ZINC000221531313 376217746 /nfs/dbraw/zinc/21/77/46/376217746.db2.gz QPRSHJCHGQKFBQ-UHFFFAOYSA-N 0 0 275.352 3.405 50 5 CGBARN CCc1ccc(N2Cc3ccccc3C2=O)c([N+](=O)[O-])c1 ZINC000227156727 376384751 /nfs/dbraw/zinc/38/47/51/376384751.db2.gz YEUDXLRNYALWHJ-UHFFFAOYSA-N 0 0 282.299 3.318 50 5 CGBARN Cc1ccccc1NC(=O)c1cccc([N+](=O)[O-])c1C ZINC000000272482 169593987 /nfs/dbraw/zinc/59/39/87/169593987.db2.gz WTZDHEOVJNGTQX-UHFFFAOYSA-N 0 0 270.288 3.464 50 5 CGBARN COc1ccc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1 ZINC000000291657 169599088 /nfs/dbraw/zinc/59/90/88/169599088.db2.gz NPAIHQAJDKTCEJ-UHFFFAOYSA-N 0 0 286.287 3.164 50 5 CGBARN O=C(Cc1cccs1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000443668 169642336 /nfs/dbraw/zinc/64/23/36/169642336.db2.gz VTPMVTXUMWDGPD-UHFFFAOYSA-N 0 0 296.735 3.491 50 5 CGBARN O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1Cl ZINC000002022399 285084447 /nfs/dbraw/zinc/08/44/47/285084447.db2.gz HFHAVERNVFNSHL-UHFFFAOYSA-N 0 0 270.550 3.175 50 5 CGBARN O=[N+]([O-])c1ccc(C2=CN3c4ccccc4S[C@H]3N2)cc1 ZINC000101035870 285109780 /nfs/dbraw/zinc/10/97/80/285109780.db2.gz GJSUWZVSSWLFRP-HNNXBMFYSA-N 0 0 297.339 3.392 50 5 CGBARN O=[N+]([O-])c1ccc2[nH]c3ccc([N+](=O)[O-])cc3c2c1 ZINC000003122882 285141448 /nfs/dbraw/zinc/14/14/48/285141448.db2.gz IARXLBTXILYASE-UHFFFAOYSA-N 0 0 257.205 3.138 50 5 CGBARN Cc1cc([C@H]2CCCN2c2ccccc2[N+](=O)[O-])no1 ZINC000029527119 391957876 /nfs/dbraw/zinc/95/78/76/391957876.db2.gz IOTIDDOXJNUAFP-GFCCVEGCSA-N 0 0 273.292 3.233 50 5 CGBARN C[C@H](OC(=O)/C=C\c1ccccc1[N+](=O)[O-])c1ccncc1 ZINC000104166631 397650083 /nfs/dbraw/zinc/65/00/83/397650083.db2.gz BHQVWYHUJGOTMT-DGMVEKRQSA-N 0 0 298.298 3.307 50 5 CGBARN COCCn1c(C)c(C)c2c3nc4ccccc4n3cnc21 ZINC000006665110 397603212 /nfs/dbraw/zinc/60/32/12/397603212.db2.gz YZDKHLWVIFQQGF-UHFFFAOYSA-N 0 0 294.358 3.100 50 5 CGBARN Cc1cnc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)s1 ZINC000002656525 292932849 /nfs/dbraw/zinc/93/28/49/292932849.db2.gz RMBXBQBADFFBRA-UHFFFAOYSA-N 0 0 297.723 3.265 50 5 CGBARN O=C(Nc1cccc(F)c1)Nc1cccc([N+](=O)[O-])c1 ZINC000001753342 169754767 /nfs/dbraw/zinc/75/47/67/169754767.db2.gz KCBTVNMPNIYQDF-UHFFFAOYSA-N 0 0 275.239 3.378 50 5 CGBARN CC1(C)Cc2cccc(Oc3ccc([N+](=O)[O-])cn3)c2O1 ZINC000002539559 169805846 /nfs/dbraw/zinc/80/58/46/169805846.db2.gz PQSZSAMMINZFKC-UHFFFAOYSA-N 0 0 286.287 3.496 50 5 CGBARN Cc1n[nH]c(C)c1CCCCOc1ccccc1[N+](=O)[O-] ZINC000002880622 169840597 /nfs/dbraw/zinc/84/05/97/169840597.db2.gz CBTSLSULCUWYJW-UHFFFAOYSA-N 0 0 289.335 3.336 50 5 CGBARN CCCCN(CC)C(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000002990853 169847611 /nfs/dbraw/zinc/84/76/11/169847611.db2.gz BVUGZUXBALSSRC-UHFFFAOYSA-N 0 0 264.325 3.165 50 5 CGBARN Cc1ccc(NC(=O)c2cc(N)ccc2[N+](=O)[O-])cc1C ZINC000004306889 169955848 /nfs/dbraw/zinc/95/58/48/169955848.db2.gz FVMVNCIOBNWYOS-UHFFFAOYSA-N 0 0 285.303 3.046 50 5 CGBARN Cc1c(Cl)c([N+](=O)[O-])cc([N+](=O)[O-])c1NC1CC1 ZINC000004565423 169984268 /nfs/dbraw/zinc/98/42/68/169984268.db2.gz OWRYIKXGPKEHDR-UHFFFAOYSA-N 0 0 271.660 3.039 50 5 CGBARN Cc1ccccc1Nc1ccc([N+](=O)[O-])c2nonc21 ZINC000004733713 170007772 /nfs/dbraw/zinc/00/77/72/170007772.db2.gz ISVONNYLGIYJIB-UHFFFAOYSA-N 0 0 270.248 3.183 50 5 CGBARN O=C(CCNc1ccc([N+](=O)[O-])cc1)c1cccs1 ZINC000005059934 170062254 /nfs/dbraw/zinc/06/22/54/170062254.db2.gz FNVVXVGEDXFFSB-UHFFFAOYSA-N 0 0 276.317 3.341 50 5 CGBARN O=C(Nc1ccc([N+](=O)[O-])cc1)OCc1ccccc1 ZINC000005064221 170063012 /nfs/dbraw/zinc/06/30/12/170063012.db2.gz CCBJUOVCMNSVPT-UHFFFAOYSA-N 0 0 272.260 3.344 50 5 CGBARN O=C(c1ccccc1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000005264196 170081171 /nfs/dbraw/zinc/08/11/71/170081171.db2.gz JVXBEKWPVLARKV-UHFFFAOYSA-N 0 0 293.282 3.012 50 5 CGBARN C[C@H]1CCC[C@H](NC(=O)OCc2ccc([N+](=O)[O-])cc2)C1 ZINC000005676088 170127296 /nfs/dbraw/zinc/12/72/96/170127296.db2.gz YSXYPPBKFNCCQB-AAEUAGOBSA-N 0 0 292.335 3.400 50 5 CGBARN O=C(c1cccc([N+](=O)[O-])c1)N1CCC[C@H]2CCCC[C@H]21 ZINC000008406596 170335461 /nfs/dbraw/zinc/33/54/61/170335461.db2.gz PAYZXRVLYVNQGZ-IUODEOHRSA-N 0 0 288.347 3.390 50 5 CGBARN O=c1oc2ccccc2c(Nc2cccc(O)c2)c1[N+](=O)[O-] ZINC000008716744 170348892 /nfs/dbraw/zinc/34/88/92/170348892.db2.gz DGPJUMPXTNZPQV-UHFFFAOYSA-N 0 0 298.254 3.150 50 5 CGBARN COC(=O)c1cc([N+](=O)[O-])ccc1-c1ccc(OC)cc1 ZINC000008729952 170350819 /nfs/dbraw/zinc/35/08/19/170350819.db2.gz QZCVARJOWOPXOO-UHFFFAOYSA-N 0 0 287.271 3.057 50 5 CGBARN O=[N+]([O-])c1cccnc1NCCc1c[nH]c2ccccc12 ZINC000020135302 171022682 /nfs/dbraw/zinc/02/26/82/171022682.db2.gz XZRKMLTVFCCYGB-UHFFFAOYSA-N 0 0 282.303 3.126 50 5 CGBARN O=C(/C=C\c1cccc([N+](=O)[O-])c1)Nc1ccccc1 ZINC000033289618 171778021 /nfs/dbraw/zinc/77/80/21/171778021.db2.gz GTJRARGKGRCIBY-KTKRTIGZSA-N 0 0 268.272 3.247 50 5 CGBARN Cc1ccc(-c2nc(Cn3nccc3[N+](=O)[O-])co2)c(C)c1 ZINC000057516132 175597313 /nfs/dbraw/zinc/59/73/13/175597313.db2.gz HNIRRPHPQGORBG-UHFFFAOYSA-N 0 0 298.302 3.111 50 5 CGBARN CC(C)Oc1ccc([N+](=O)[O-])cc1Br ZINC000040571694 275974963 /nfs/dbraw/zinc/97/49/63/275974963.db2.gz SDYLUPCVAIKGTR-UHFFFAOYSA-N 0 0 260.087 3.145 50 5 CGBARN CCCNc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000005173598 276018839 /nfs/dbraw/zinc/01/88/39/276018839.db2.gz QXXIZJPWGJDHKR-UHFFFAOYSA-N 0 0 293.201 3.344 50 5 CGBARN CCOC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000095217928 276444304 /nfs/dbraw/zinc/44/43/04/276444304.db2.gz BUSAGWGSTPOYTM-UHFFFAOYSA-N 0 0 251.282 3.069 50 5 CGBARN CCc1c(Cl)c([N+](=O)[O-])cc([N+](=O)[O-])c1Cl ZINC000016161130 276658064 /nfs/dbraw/zinc/65/80/64/276658064.db2.gz GWGJAJVTLIMTEZ-UHFFFAOYSA-N 0 0 265.052 3.372 50 5 CGBARN C[C@@H]1Cc2ccccc2N1c1ccc([N+](=O)[O-])cn1 ZINC000012528341 279019678 /nfs/dbraw/zinc/01/96/78/279019678.db2.gz NPCOQTRRRMABPF-SNVBAGLBSA-N 0 0 255.277 3.073 50 5 CGBARN Cc1cc(-c2nc(-c3ccncc3)no2)ccc1[N+](=O)[O-] ZINC000000548790 280286876 /nfs/dbraw/zinc/28/68/76/280286876.db2.gz DEYBTNFSJSEGOJ-UHFFFAOYSA-N 0 0 282.259 3.015 50 5 CGBARN O=[N+]([O-])c1cc(Br)ccc1OC(F)(F)F ZINC000002525758 280356239 /nfs/dbraw/zinc/35/62/39/280356239.db2.gz OIGUXYDXDJIDCY-UHFFFAOYSA-N 0 0 286.003 3.256 50 5 CGBARN Cc1cc(N2Cc3ccccc3C2=O)cc(C)c1[N+](=O)[O-] ZINC000252478720 280589752 /nfs/dbraw/zinc/58/97/52/280589752.db2.gz ATAQSFULZVVRHB-UHFFFAOYSA-N 0 0 282.299 3.372 50 5 CGBARN Cc1ccc(-n2cc3ccc([N+](=O)[O-])cc3n2)cc1 ZINC000000089475 280745531 /nfs/dbraw/zinc/74/55/31/280745531.db2.gz WAXYLNFKWFMYDT-UHFFFAOYSA-N 0 0 253.261 3.242 50 5 CGBARN C[C@@]12CCCCC1=N[C@@H](c1ccc([N+](=O)[O-])cc1)N2O ZINC000019606419 289221251 /nfs/dbraw/zinc/22/12/51/289221251.db2.gz RJFKUDLDCYFOQT-ZIAGYGMSSA-N 0 0 275.308 3.072 50 5 CGBARN Nc1cc([N+](=O)[O-])ccc1NCCc1ccc(Cl)cc1 ZINC000052840779 618736848 /nfs/dbraw/zinc/73/68/48/618736848.db2.gz QGJWEWUNQBWRDQ-UHFFFAOYSA-N 0 0 291.738 3.485 50 5 CGBARN COc1ccc(OC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)cc1 ZINC000033609866 624372588 /nfs/dbraw/zinc/37/25/88/624372588.db2.gz IAYNRYWAJHRQIZ-WCIBSUBMSA-N 0 0 299.282 3.222 50 5 CGBARN Cc1ccc(CNC(=O)/C=C\c2cccc([N+](=O)[O-])c2)cc1 ZINC000033642173 624379015 /nfs/dbraw/zinc/37/90/15/624379015.db2.gz JOGVHNVKPLVVCK-KTKRTIGZSA-N 0 0 296.326 3.233 50 5 CGBARN O=[N+]([O-])c1ccc(/C=C\c2ccncn2)cc1Cl ZINC000588508824 799703742 /nfs/dbraw/zinc/70/37/42/799703742.db2.gz LXXSQDPSKXGDIW-IWQZZHSRSA-N 0 0 261.668 3.209 50 5 CGBARN COC(=O)c1cc(F)cc(-c2ccccc2[N+](=O)[O-])c1 ZINC000097757351 185661981 /nfs/dbraw/zinc/66/19/81/185661981.db2.gz DHIKNRBGQROOEG-UHFFFAOYSA-N 0 0 275.235 3.188 50 5 CGBARN O=C(/C=C/c1ccccc1[N+](=O)[O-])Nc1ccccc1 ZINC000000060248 368280434 /nfs/dbraw/zinc/28/04/34/368280434.db2.gz CCPMJLIQXHEYNU-ZHACJKMWSA-N 0 0 268.272 3.247 50 5 CGBARN CCC[C@H](C)NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000000449766 368369117 /nfs/dbraw/zinc/36/91/17/368369117.db2.gz QGWUYHOVFDPGCM-QMMMGPOBSA-N 0 0 270.716 3.167 50 5 CGBARN O=[N+]([O-])c1ccc(OCCn2cnc3ccccc32)cc1 ZINC000000301617 368335361 /nfs/dbraw/zinc/33/53/61/368335361.db2.gz ZXZRKDWCSMAKBD-UHFFFAOYSA-N 0 0 283.287 3.024 50 5 CGBARN COc1ccc([N+](=O)[O-])cc1NCc1ccccc1 ZINC000000351945 368345704 /nfs/dbraw/zinc/34/57/04/368345704.db2.gz BZXDCXXOWVIDMW-UHFFFAOYSA-N 0 0 258.277 3.216 50 5 CGBARN Cc1ccc(C(=O)Oc2ccccc2[N+](=O)[O-])cc1 ZINC000000361748 368348039 /nfs/dbraw/zinc/34/80/39/368348039.db2.gz BMBYOAIWRXVQMS-UHFFFAOYSA-N 0 0 257.245 3.122 50 5 CGBARN CCc1ccc(C(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000000360771 368348057 /nfs/dbraw/zinc/34/80/57/368348057.db2.gz QGCGDHKBZFQRIF-UHFFFAOYSA-N 0 0 255.273 3.388 50 5 CGBARN CC(C)CC(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000000373393 368351599 /nfs/dbraw/zinc/35/15/99/368351599.db2.gz OJAOWWURYSTTLF-UHFFFAOYSA-N 0 0 256.689 3.233 50 5 CGBARN O=[N+]([O-])c1ccc(OCc2ccccc2)c2cn[nH]c21 ZINC000001404081 368411767 /nfs/dbraw/zinc/41/17/67/368411767.db2.gz LWWCBTBFMUBQTB-UHFFFAOYSA-N 0 0 269.260 3.050 50 5 CGBARN C[C@H]1CCC[C@@H](OC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000001508687 368416060 /nfs/dbraw/zinc/41/60/60/368416060.db2.gz KBZMEHXPBKOFCY-GXFFZTMASA-N 0 0 263.293 3.330 50 5 CGBARN O=C(c1ccccc1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000001599330 368422478 /nfs/dbraw/zinc/42/24/78/368422478.db2.gz DXFDGFNDWPFRSA-UHFFFAOYSA-N 0 0 261.664 3.479 50 5 CGBARN COc1cccc(CNc2cccc([N+](=O)[O-])c2)c1OC ZINC000001649195 368426138 /nfs/dbraw/zinc/42/61/38/368426138.db2.gz NNTHSENAYNOEBY-UHFFFAOYSA-N 0 0 288.303 3.224 50 5 CGBARN Cc1cccc2nc(COc3cccc([N+](=O)[O-])c3)cn21 ZINC000002608247 368469415 /nfs/dbraw/zinc/46/94/15/368469415.db2.gz PQXGSDNLUFPQJY-UHFFFAOYSA-N 0 0 283.287 3.130 50 5 CGBARN O=[N+]([O-])c1cnn(COc2cccc(Cl)c2Cl)c1 ZINC000002537566 368461765 /nfs/dbraw/zinc/46/17/65/368461765.db2.gz BEVAVDAOZSUWEF-UHFFFAOYSA-N 0 0 288.090 3.135 50 5 CGBARN O=[N+]([O-])c1cccc(/C=C/c2ncc3ccccn23)c1 ZINC000003892522 368523632 /nfs/dbraw/zinc/52/36/32/368523632.db2.gz VTSLMDLWDORMQH-BQYQJAHWSA-N 0 0 265.272 3.413 50 5 CGBARN Cc1c(C(=O)N(C)Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000004010913 368525437 /nfs/dbraw/zinc/52/54/37/368525437.db2.gz NSJRVONEBIATAO-UHFFFAOYSA-N 0 0 284.315 3.175 50 5 CGBARN Cc1cc(NCn2nnc3ccccc32)c([N+](=O)[O-])cc1C ZINC000004015188 368527744 /nfs/dbraw/zinc/52/77/44/368527744.db2.gz ZKVVZROOHQMMFX-UHFFFAOYSA-N 0 0 297.318 3.026 50 5 CGBARN CCCCCNC(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000004685210 368556628 /nfs/dbraw/zinc/55/66/28/368556628.db2.gz ZCCDXTDUDQXNEQ-UHFFFAOYSA-N 0 0 267.354 3.071 50 5 CGBARN C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)c1cccs1 ZINC000010278884 368578621 /nfs/dbraw/zinc/57/86/21/368578621.db2.gz UKAGJUVTNFKCHR-VIFPVBQESA-N 0 0 276.317 3.147 50 5 CGBARN O=C(O[C@@H]1CCc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000010449172 368582008 /nfs/dbraw/zinc/58/20/08/368582008.db2.gz BXPVVAJCDGFHFR-OAHLLOKOSA-N 0 0 283.283 3.439 50 5 CGBARN CNc1ncnc(Nc2ccc(C(C)C)cc2)c1[N+](=O)[O-] ZINC000012522574 368616074 /nfs/dbraw/zinc/61/60/74/368616074.db2.gz XLRDHAVPRYIAQR-UHFFFAOYSA-N 0 0 287.323 3.294 50 5 CGBARN C[C@@H]1Cc2ccccc2N1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000013000993 368639737 /nfs/dbraw/zinc/63/97/37/368639737.db2.gz FVEGSJFZUHGVEC-SECBINFHSA-N 0 0 288.328 3.248 50 5 CGBARN COc1cc(CNc2ccc([N+](=O)[O-])cc2Cl)ccn1 ZINC000023043511 368816006 /nfs/dbraw/zinc/81/60/06/368816006.db2.gz BXTSIKCKYLAPMU-UHFFFAOYSA-N 0 0 293.710 3.264 50 5 CGBARN O=Cc1ccc(Oc2ccc([N+](=O)[O-])cc2F)cc1 ZINC000037987963 369133504 /nfs/dbraw/zinc/13/35/04/369133504.db2.gz KBNKYSLKTQGHMK-UHFFFAOYSA-N 0 0 261.208 3.339 50 5 CGBARN Cc1ccc(OCc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1 ZINC000041146136 369175854 /nfs/dbraw/zinc/17/58/54/369175854.db2.gz ZFMNVMOPRHXGFX-UHFFFAOYSA-N 0 0 283.287 3.359 50 5 CGBARN O=[N+]([O-])c1ccc(Oc2cccc(F)c2F)nc1 ZINC000068916833 369751050 /nfs/dbraw/zinc/75/10/50/369751050.db2.gz YXMCSAIRMZCNLR-UHFFFAOYSA-N 0 0 252.176 3.060 50 5 CGBARN Cc1nc(CNC(C)(C)c2ccc([N+](=O)[O-])cc2)cs1 ZINC000080347018 369986653 /nfs/dbraw/zinc/98/66/53/369986653.db2.gz KMPNKTARRXVRCM-UHFFFAOYSA-N 0 0 291.376 3.385 50 5 CGBARN COC(=O)c1cccc(-c2ccccc2[N+](=O)[O-])c1 ZINC000097757035 370252865 /nfs/dbraw/zinc/25/28/65/370252865.db2.gz KQIMJLBUUHZYKV-UHFFFAOYSA-N 0 0 257.245 3.048 50 5 CGBARN O=[N+]([O-])c1cc(F)c(Oc2cccnc2)c(F)c1 ZINC000097229459 370235544 /nfs/dbraw/zinc/23/55/44/370235544.db2.gz AUWSCWFUPFBGLB-UHFFFAOYSA-N 0 0 252.176 3.060 50 5 CGBARN COc1cc(CNc2ccccc2F)c([N+](=O)[O-])cc1O ZINC000095448691 370195587 /nfs/dbraw/zinc/19/55/87/370195587.db2.gz AARDZZAGZLSNCX-UHFFFAOYSA-N 0 0 292.266 3.060 50 5 CGBARN COCc1cc([N+](=O)[O-])ccc1NC(=O)C[C@H]1C=CCC1 ZINC000083914618 541931182 /nfs/dbraw/zinc/93/11/82/541931182.db2.gz VIICDLNYWKMCMV-NSHDSACASA-N 0 0 290.319 3.036 50 5 CGBARN C[C@@H](Sc1ccc([N+](=O)[O-])cc1F)c1cnccn1 ZINC000193504907 375888380 /nfs/dbraw/zinc/88/83/80/375888380.db2.gz XIFQCAVJNWLSKT-MRVPVSSYSA-N 0 0 279.296 3.377 50 5 CGBARN CC1=CCCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000230809176 376540137 /nfs/dbraw/zinc/54/01/37/376540137.db2.gz PNPBKZRVWWSKJK-UHFFFAOYSA-N 0 0 280.711 3.040 50 5 CGBARN CC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000000060257 169522096 /nfs/dbraw/zinc/52/20/96/169522096.db2.gz CZANJAQNQSTZEP-UHFFFAOYSA-N 0 0 284.271 3.050 50 5 CGBARN CC(=O)c1cccc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000000431921 169638811 /nfs/dbraw/zinc/63/88/11/169638811.db2.gz DQMUQUOWRVOYRD-UHFFFAOYSA-N 0 0 298.298 3.358 50 5 CGBARN CC(C)CCNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000000442221 169641708 /nfs/dbraw/zinc/64/17/08/169641708.db2.gz GYLIIYZFKBXNKR-UHFFFAOYSA-N 0 0 270.716 3.024 50 5 CGBARN O=C(Cc1ccc(Cl)cc1)Nc1cccc([N+](=O)[O-])c1 ZINC000000450203 169644041 /nfs/dbraw/zinc/64/40/41/169644041.db2.gz FQYNMCGYXSHSJM-UHFFFAOYSA-N 0 0 290.706 3.429 50 5 CGBARN Cc1cccc(C)c1OC(=O)c1ccccc1[N+](=O)[O-] ZINC000000505110 169658116 /nfs/dbraw/zinc/65/81/16/169658116.db2.gz PUPABBTUHVUAGS-UHFFFAOYSA-N 0 0 271.272 3.431 50 5 CGBARN O=[N+]([O-])c1cc2ccccc2cc1I ZINC000014628814 285101519 /nfs/dbraw/zinc/10/15/19/285101519.db2.gz POLBDBRAOAFURG-UHFFFAOYSA-N 0 0 299.067 3.353 50 5 CGBARN O=[N+]([O-])c1ccc(Oc2ncnc3ccsc32)cc1 ZINC000009513489 285138251 /nfs/dbraw/zinc/13/82/51/285138251.db2.gz MGYIKBFEPXTOGJ-UHFFFAOYSA-N 0 0 273.273 3.392 50 5 CGBARN O=[N+]([O-])c1cccc(-c2nnc(-c3ccccc3)o2)c1 ZINC000000143429 285152705 /nfs/dbraw/zinc/15/27/05/285152705.db2.gz PPAQPCTUYHOPLY-UHFFFAOYSA-N 0 0 267.244 3.312 50 5 CGBARN Cc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2)s1 ZINC000004750572 533609947 /nfs/dbraw/zinc/60/99/47/533609947.db2.gz XGEBWCHNAZADCZ-UHFFFAOYSA-N 0 0 262.290 3.217 50 5 CGBARN O=C1Nc2ccccc2/C1=C/c1ccc([N+](=O)[O-])cc1 ZINC000000137099 391905615 /nfs/dbraw/zinc/90/56/15/391905615.db2.gz WPZSQSSOBHCYOZ-LCYFTJDESA-N 0 0 266.256 3.088 50 5 CGBARN Cc1cc(N2CCCC[C@@H]2C)c(F)cc1[N+](=O)[O-] ZINC000003904574 391919425 /nfs/dbraw/zinc/91/94/25/391919425.db2.gz PLDIRUHRROZNLC-JTQLQIEISA-N 0 0 252.289 3.421 50 5 CGBARN Cc1[nH]nc(Nc2ccc(Br)cc2)c1[N+](=O)[O-] ZINC000008995365 397603601 /nfs/dbraw/zinc/60/36/01/397603601.db2.gz ICLCJLQPWWMXKF-UHFFFAOYSA-N 0 0 297.112 3.132 50 5 CGBARN O=[N+]([O-])c1ccc(Cl)cc1NCc1ccco1 ZINC000004126214 169935711 /nfs/dbraw/zinc/93/57/11/169935711.db2.gz MPBPTAWINQRLFR-UHFFFAOYSA-N 0 0 252.657 3.453 50 5 CGBARN CCCCN(CC)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000004776701 170015873 /nfs/dbraw/zinc/01/58/73/170015873.db2.gz VUFPBSXWFYZMHV-UHFFFAOYSA-N 0 0 265.313 3.249 50 5 CGBARN COc1ccc(NC(=O)NC2CCCCC2)c([N+](=O)[O-])c1 ZINC000005093890 170065896 /nfs/dbraw/zinc/06/58/96/170065896.db2.gz FATJYTQFUNRCBK-UHFFFAOYSA-N 0 0 293.323 3.058 50 5 CGBARN Cc1ccnc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000005331135 170086440 /nfs/dbraw/zinc/08/64/40/170086440.db2.gz NYWRJAXNTJPVMC-UHFFFAOYSA-N 0 0 291.694 3.204 50 5 CGBARN CCOc1ccc(C(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000005465521 170101637 /nfs/dbraw/zinc/10/16/37/170101637.db2.gz STPXOHDXTPPUSQ-UHFFFAOYSA-N 0 0 286.287 3.246 50 5 CGBARN CCCNC(=O)c1cc2c(ccc3ccccc32)oc1=N ZINC000006854444 170249597 /nfs/dbraw/zinc/24/95/97/170249597.db2.gz VRUUHQYYLIPWMC-UHFFFAOYSA-N 0 0 280.327 3.205 50 5 CGBARN O=C(Nc1ccc([N+](=O)[O-])cc1)Oc1ccccc1 ZINC000008754411 170354336 /nfs/dbraw/zinc/35/43/36/170354336.db2.gz SMRCVOHHIZIIEY-UHFFFAOYSA-N 0 0 258.233 3.206 50 5 CGBARN O=C(Nc1ccc2scnc2c1)c1cccc([N+](=O)[O-])c1 ZINC000008804147 170356695 /nfs/dbraw/zinc/35/66/95/170356695.db2.gz WJDYUMOXAOWFCA-UHFFFAOYSA-N 0 0 299.311 3.457 50 5 CGBARN Cc1ccc([C@H](C)Nc2nc3ccccn3c2[N+](=O)[O-])o1 ZINC000021673821 171319237 /nfs/dbraw/zinc/31/92/37/171319237.db2.gz HSQTWJCCHVBLOV-JTQLQIEISA-N 0 0 286.291 3.317 50 5 CGBARN CCc1ccc(CNC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000072331447 176370048 /nfs/dbraw/zinc/37/00/48/176370048.db2.gz DXVQYSKEHAMQFX-UHFFFAOYSA-N 0 0 284.315 3.087 50 5 CGBARN CC(C)c1cnc(COc2ccc([N+](=O)[O-])cc2)o1 ZINC000078680242 177370260 /nfs/dbraw/zinc/37/02/60/177370260.db2.gz PTSQKDXIBBVUIB-UHFFFAOYSA-N 0 0 262.265 3.285 50 5 CGBARN COc1ccc([C@H]2CC(=O)c3cc([N+](=O)[O-])ccc3O2)cc1 ZINC000032815416 274117969 /nfs/dbraw/zinc/11/79/69/274117969.db2.gz JARCUJRYABOTHZ-MRXNPFEDSA-N 0 0 299.282 3.310 50 5 CGBARN CC(=O)Nc1cc2c(cc1[N+](=O)[O-])C1CCC2CC1 ZINC000071404314 275790071 /nfs/dbraw/zinc/79/00/71/275790071.db2.gz IRNMWZYNJKGUKX-UHFFFAOYSA-N 0 0 260.293 3.308 50 5 CGBARN CN1c2ccc([N+](=O)[O-])cc2Oc2nc3ccccc3nc21 ZINC000008716994 277216546 /nfs/dbraw/zinc/21/65/46/277216546.db2.gz ICEISSBVDKNHPZ-UHFFFAOYSA-N 0 0 294.270 3.412 50 5 CGBARN COc1ccc(-c2nc3cc(C)ccn3c2[N+](=O)[O-])cc1 ZINC000045027531 277862072 /nfs/dbraw/zinc/86/20/72/277862072.db2.gz GGLMREOHPOMJQA-UHFFFAOYSA-N 0 0 283.287 3.227 50 5 CGBARN COc1cccc(-c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c1 ZINC000000176421 278006260 /nfs/dbraw/zinc/00/62/60/278006260.db2.gz MLROXJBOMDEEPY-UHFFFAOYSA-N 0 0 297.270 3.320 50 5 CGBARN O=[N+]([O-])c1c(Cl)ncc(Br)c1Cl ZINC000097758462 280353637 /nfs/dbraw/zinc/35/36/37/280353637.db2.gz SMJWSYDXAHYIKL-UHFFFAOYSA-N 0 0 271.885 3.059 50 5 CGBARN O=c1oc2ccccc2c(Nc2ccccc2)c1[N+](=O)[O-] ZINC000102881569 280354758 /nfs/dbraw/zinc/35/47/58/280354758.db2.gz OFQOLACGZVDJDA-DTQAZKPQSA-N 0 0 282.255 3.279 50 5 CGBARN Cc1cc2sc3nc(=O)c4cccnc4n3c2cc1C ZINC000001016250 280712786 /nfs/dbraw/zinc/71/27/86/280712786.db2.gz ZSMQWJLVBBYKGX-UHFFFAOYSA-N 0 0 281.340 3.074 50 5 CGBARN O=C(c1cccc([N+](=O)[O-])c1)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000008406594 304551267 /nfs/dbraw/zinc/55/12/67/304551267.db2.gz PAYZXRVLYVNQGZ-WFASDCNBSA-N 0 0 288.347 3.390 50 5 CGBARN Cc1cccc(C)c1N1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000004100043 301971858 /nfs/dbraw/zinc/97/18/58/301971858.db2.gz DMRMQGCQZNLKHA-UHFFFAOYSA-N 0 0 296.282 3.012 50 5 CGBARN Cc1ccc(CC(C)(C)Nc2ncc([N+](=O)[O-])cn2)cc1 ZINC000418987116 533761434 /nfs/dbraw/zinc/76/14/34/533761434.db2.gz HCUDYCAZQGPVGO-UHFFFAOYSA-N 0 0 286.335 3.126 50 5 CGBARN O=[N+]([O-])c1ccc(SC2CCOCC2)c(F)c1 ZINC000096484868 534883348 /nfs/dbraw/zinc/88/33/48/534883348.db2.gz HPHCZVGGGDLCMM-UHFFFAOYSA-N 0 0 257.286 3.005 50 5 CGBARN CCC[C@@H]1[C@H](C)CCCN1c1ccc([N+](=O)[O-])cn1 ZINC000084740580 535510366 /nfs/dbraw/zinc/51/03/66/535510366.db2.gz ZXGAJGQMXVHRTN-DGCLKSJQSA-N 0 0 263.341 3.395 50 5 CGBARN O=C(/C=C\c1cccs1)OCc1ccc([N+](=O)[O-])cc1 ZINC000033315982 624266844 /nfs/dbraw/zinc/26/68/44/624266844.db2.gz YOYUGXFQGULSBH-FPLPWBNLSA-N 0 0 289.312 3.413 50 5 CGBARN Cc1ccc(/C=C2/c3ccccc3N(C)C2=O)cc1[N+](=O)[O-] ZINC000006948884 638245952 /nfs/dbraw/zinc/24/59/52/638245952.db2.gz ZSXAKABVIFBTKU-ZROIWOOFSA-N 0 0 294.310 3.420 50 5 CGBARN CCOc1cccc(NCc2scnc2C)c1[N+](=O)[O-] ZINC000096009269 185064330 /nfs/dbraw/zinc/06/43/30/185064330.db2.gz FBOOQWUFTAPKLC-UHFFFAOYSA-N 0 0 293.348 3.371 50 5 CGBARN Cc1noc(C2CC2)c1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000096012105 185065795 /nfs/dbraw/zinc/06/57/95/185065795.db2.gz YUHFLPZDSAEZCP-UHFFFAOYSA-N 0 0 287.275 3.021 50 5 CGBARN O=[N+]([O-])c1cccnc1Oc1cnc2ccccc2c1 ZINC000191859700 189606803 /nfs/dbraw/zinc/60/68/03/189606803.db2.gz ZOVVGFWPNJSJLY-UHFFFAOYSA-N 0 0 267.244 3.330 50 5 CGBARN CCCN(CCC)c1ccc([N+](=O)[O-])c(Cl)n1 ZINC000220972452 189723905 /nfs/dbraw/zinc/72/39/05/189723905.db2.gz FBXCHBXANJLJAC-UHFFFAOYSA-N 0 0 257.721 3.270 50 5 CGBARN Cc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1F ZINC000000038909 368274552 /nfs/dbraw/zinc/27/45/52/368274552.db2.gz DKSIPBXNTWUCKB-UHFFFAOYSA-N 0 0 274.251 3.295 50 5 CGBARN O=C(NC1CCCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000000067890 368282067 /nfs/dbraw/zinc/28/20/67/368282067.db2.gz OHLHOHSSAOSGEM-UHFFFAOYSA-N 0 0 262.309 3.047 50 5 CGBARN Cc1ccc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000000102963 368290601 /nfs/dbraw/zinc/29/06/01/368290601.db2.gz QISNFGIFECXELP-UHFFFAOYSA-N 0 0 270.288 3.464 50 5 CGBARN O=[N+]([O-])c1ccc(-c2csc(-c3ccno3)n2)cc1 ZINC000000114013 368294018 /nfs/dbraw/zinc/29/40/18/368294018.db2.gz XZCVVNALYOJFCM-UHFFFAOYSA-N 0 0 273.273 3.373 50 5 CGBARN O=[N+]([O-])c1cccnc1Oc1ccc(Cl)cc1 ZINC000000132645 368298788 /nfs/dbraw/zinc/29/87/88/368298788.db2.gz PVLPMGSHOZNLFN-UHFFFAOYSA-N 0 0 250.641 3.436 50 5 CGBARN Cc1ccc(C(=O)Nc2ccc(N(C)C)cc2)cc1[N+](=O)[O-] ZINC000000447776 368369151 /nfs/dbraw/zinc/36/91/51/368369151.db2.gz DVPWLWUSADSSNT-UHFFFAOYSA-N 0 0 299.330 3.222 50 5 CGBARN O=C(NC1CCCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000000271435 368329604 /nfs/dbraw/zinc/32/96/04/368329604.db2.gz SVAUXOSJUPKYIC-UHFFFAOYSA-N 0 0 262.309 3.047 50 5 CGBARN O=C(Cc1ccccc1[N+](=O)[O-])Nc1c(F)cccc1F ZINC000000611134 368391140 /nfs/dbraw/zinc/39/11/40/368391140.db2.gz VDUBBIOBWCWULW-UHFFFAOYSA-N 0 0 292.241 3.054 50 5 CGBARN CC(C)(C)C(=O)Nc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000003196688 368496253 /nfs/dbraw/zinc/49/62/53/368496253.db2.gz CTDLNMPYTTYXQI-UHFFFAOYSA-N 0 0 279.321 3.189 50 5 CGBARN CC(C)(C)C(=O)COC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000003260010 368498703 /nfs/dbraw/zinc/49/87/03/368498703.db2.gz HSPNENMCZUFYGN-UHFFFAOYSA-N 0 0 299.710 3.020 50 5 CGBARN Cc1ccc(NC(=O)c2ccccc2C)c([N+](=O)[O-])c1 ZINC000004010527 368526146 /nfs/dbraw/zinc/52/61/46/368526146.db2.gz RSIXSUOBPIOODZ-UHFFFAOYSA-N 0 0 270.288 3.464 50 5 CGBARN O=[N+]([O-])c1ccc2[nH]c(C=Cc3ccco3)nc2c1 ZINC000004541104 368549952 /nfs/dbraw/zinc/54/99/52/368549952.db2.gz LPHIZIKKEMHSNT-GQCTYLIASA-N 0 0 255.233 3.235 50 5 CGBARN Cc1nc(NC(=O)c2cccc([N+](=O)[O-])c2C)sc1C ZINC000006254669 368565812 /nfs/dbraw/zinc/56/58/12/368565812.db2.gz XFTVDESBPFSAAJ-UHFFFAOYSA-N 0 0 291.332 3.229 50 5 CGBARN CN(C(=O)c1cccc([N+](=O)[O-])c1)c1nc2ccccc2o1 ZINC000024927909 368837881 /nfs/dbraw/zinc/83/78/81/368837881.db2.gz AOCNPMYBNZKYAU-UHFFFAOYSA-N 0 0 297.270 3.013 50 5 CGBARN CCc1ccc(NC(=O)C[C@H]2C=CCC2)cc1[N+](=O)[O-] ZINC000027313041 368870451 /nfs/dbraw/zinc/87/04/51/368870451.db2.gz UQVZIRPPYRTBAK-NSHDSACASA-N 0 0 274.320 3.452 50 5 CGBARN CSc1ccc([C@@H](C)Nc2c([N+](=O)[O-])ncn2C)cc1 ZINC000029623378 368898584 /nfs/dbraw/zinc/89/85/84/368898584.db2.gz UCYULTMEGPNWKJ-SECBINFHSA-N 0 0 292.364 3.223 50 5 CGBARN CCOc1ccc(Oc2ncccc2[N+](=O)[O-])cc1 ZINC000032735898 368942515 /nfs/dbraw/zinc/94/25/15/368942515.db2.gz KGNLJIZXPCOXGK-UHFFFAOYSA-N 0 0 260.249 3.181 50 5 CGBARN Cc1ccc(C)c(C(=O)NCc2ccc([N+](=O)[O-])cc2)c1 ZINC000055797318 369521687 /nfs/dbraw/zinc/52/16/87/369521687.db2.gz UWRKITYYYFBAIE-UHFFFAOYSA-N 0 0 284.315 3.142 50 5 CGBARN CCN(Cc1ccncc1)Cc1cccc([N+](=O)[O-])c1 ZINC000057541649 369540773 /nfs/dbraw/zinc/54/07/73/369540773.db2.gz YRINIEKFXQJECU-UHFFFAOYSA-N 0 0 271.320 3.012 50 5 CGBARN CC[C@H](Nc1ncccc1[N+](=O)[O-])c1nc2ccccc2[nH]1 ZINC000075138134 369896353 /nfs/dbraw/zinc/89/63/53/369896353.db2.gz DMUHJGPYBTXOAD-JTQLQIEISA-N 0 0 297.318 3.429 50 5 CGBARN O=[N+]([O-])c1ccccc1N1CCCC[C@@H]1c1cn[nH]c1 ZINC000301505277 373781732 /nfs/dbraw/zinc/78/17/32/373781732.db2.gz CNNPUGSAARQFLB-GFCCVEGCSA-N 0 0 272.308 3.050 50 5 CGBARN O=[N+]([O-])c1cccnc1N1CC[C@H]2CCCC[C@H]2C1 ZINC000245228096 376801382 /nfs/dbraw/zinc/80/13/82/376801382.db2.gz DBMUSVAVJRUCDD-NEPJUHHUSA-N 0 0 261.325 3.006 50 5 CGBARN CCOC(=O)c1cc(-c2cccc([N+](=O)[O-])c2)oc1C ZINC000000113370 169540312 /nfs/dbraw/zinc/54/03/12/169540312.db2.gz JAHZJSHMYFDWKD-UHFFFAOYSA-N 0 0 275.260 3.340 50 5 CGBARN CNC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000000133961 169548898 /nfs/dbraw/zinc/54/88/98/169548898.db2.gz DGOLMTSTXLHVKN-UHFFFAOYSA-N 0 0 288.328 3.106 50 5 CGBARN C[C@@H]1CCC[C@@H](C)N1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000243446450 542320787 /nfs/dbraw/zinc/32/07/87/542320787.db2.gz NEWBSDNICUEEOF-GHMZBOCLSA-N 0 0 277.324 3.390 50 5 CGBARN O=[N+]([O-])c1ccc(-c2nc(-c3ccccc3)no2)cc1 ZINC000000080660 285104305 /nfs/dbraw/zinc/10/43/05/285104305.db2.gz IEMAOPQWFVCFNA-UHFFFAOYSA-N 0 0 267.244 3.312 50 5 CGBARN O=[N+]([O-])c1ccc(Cl)c2c1cccc2[N+](=O)[O-] ZINC000004577123 285116696 /nfs/dbraw/zinc/11/66/96/285116696.db2.gz KCMPORJIBRHUHC-UHFFFAOYSA-N 0 0 252.613 3.310 50 5 CGBARN O=[N+]([O-])c1ccc2c(c1)N[C@H]1c3cc([N+](=O)[O-])ccc3C[C@H]21 ZINC000005799563 285143969 /nfs/dbraw/zinc/14/39/69/285143969.db2.gz CSBPWFAEXFRRRG-HIFRSBDPSA-N 0 0 297.270 3.310 50 5 CGBARN O=C(Nc1nc2ccccc2s1)c1ccccc1[N+](=O)[O-] ZINC000000282854 391907509 /nfs/dbraw/zinc/90/75/09/391907509.db2.gz KIFFXCWBNBXUAR-UHFFFAOYSA-N 0 0 299.311 3.457 50 5 CGBARN Cc1cc2nc(-c3ccccc3)cn2cc1[N+](=O)[O-] ZINC000034361353 391973619 /nfs/dbraw/zinc/97/36/19/391973619.db2.gz OHFYFVMAQPTNGX-UHFFFAOYSA-N 0 0 253.261 3.218 50 5 CGBARN Cc1cc([N+](=O)[O-])ccc1N1C=CC(C)(C)NC1=S ZINC000054957291 392094276 /nfs/dbraw/zinc/09/42/76/392094276.db2.gz FIJMRTNYGRRNNV-UHFFFAOYSA-N 0 0 277.349 3.301 50 5 CGBARN Cc1cc([N+](=O)[O-])cnc1N1CCC(Cl)=C(Cl)C1 ZINC000095467535 392244038 /nfs/dbraw/zinc/24/40/38/392244038.db2.gz KOPDWYMVEWQVBR-UHFFFAOYSA-N 0 0 288.134 3.198 50 5 CGBARN Cc1ccc(NC(=O)NC2CCCCC2)cc1[N+](=O)[O-] ZINC000002172195 169779653 /nfs/dbraw/zinc/77/96/53/169779653.db2.gz PJHUCNLXHGMXRJ-UHFFFAOYSA-N 0 0 277.324 3.357 50 5 CGBARN O=[N+]([O-])c1c(Sc2ccccc2)nc2sccn21 ZINC000003016246 169849869 /nfs/dbraw/zinc/84/98/69/169849869.db2.gz TWKULZOFVJIIOX-UHFFFAOYSA-N 0 0 277.330 3.455 50 5 CGBARN O=C(NCc1cccs1)Nc1csc([N+](=O)[O-])c1 ZINC000004389479 169964417 /nfs/dbraw/zinc/96/44/17/169964417.db2.gz VGHSNVXMKCUUJP-UHFFFAOYSA-N 0 0 283.334 3.040 50 5 CGBARN CCc1noc(C)c1C(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000004749951 170011465 /nfs/dbraw/zinc/01/14/65/170011465.db2.gz UJRPGRPBOVKZGC-UHFFFAOYSA-N 0 0 289.291 3.014 50 5 CGBARN Cc1cc(O)ccc1Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000004773494 170014472 /nfs/dbraw/zinc/01/44/72/170014472.db2.gz GAFDNJPYPUDBGS-UHFFFAOYSA-N 0 0 289.247 3.261 50 5 CGBARN C[C@H]1CCCCN1C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000004904488 170038820 /nfs/dbraw/zinc/03/88/20/170038820.db2.gz MKJVAUBXOGXYCU-PMDBQALLSA-N 0 0 274.320 3.009 50 5 CGBARN O=C(Cc1ccc(Cl)cc1)Nc1ccccc1[N+](=O)[O-] ZINC000005679712 170127637 /nfs/dbraw/zinc/12/76/37/170127637.db2.gz QVAGRHKBRGIVHH-UHFFFAOYSA-N 0 0 290.706 3.429 50 5 CGBARN Cc1ccccc1NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000005711784 170132357 /nfs/dbraw/zinc/13/23/57/170132357.db2.gz RHRAAKIURVGYPP-UHFFFAOYSA-N 0 0 270.288 3.084 50 5 CGBARN COC(=O)c1cc2oc(-c3ccccc3[N+](=O)[O-])cc2[nH]1 ZINC000006792885 170244489 /nfs/dbraw/zinc/24/44/89/170244489.db2.gz GXAOATYQKJFILK-UHFFFAOYSA-N 0 0 286.243 3.123 50 5 CGBARN Cc1ccc(C(=O)COc2ccc([N+](=O)[O-])cc2)s1 ZINC000007125710 170268241 /nfs/dbraw/zinc/26/82/41/170268241.db2.gz NJBYQJRXEKPOTQ-UHFFFAOYSA-N 0 0 277.301 3.226 50 5 CGBARN CC(=O)Nc1ccc(Nc2ccccc2[N+](=O)[O-])cc1 ZINC000007272409 170275085 /nfs/dbraw/zinc/27/50/85/170275085.db2.gz ODCUPERPSSEIFF-UHFFFAOYSA-N 0 0 271.276 3.297 50 5 CGBARN COc1ccc(-c2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1 ZINC000008567323 170340614 /nfs/dbraw/zinc/34/06/14/170340614.db2.gz JICZNRHKLQRCIO-UHFFFAOYSA-N 0 0 269.260 3.147 50 5 CGBARN O=[N+]([O-])c1cccc(OCc2ccc(Cl)nc2)c1 ZINC000019404397 170786111 /nfs/dbraw/zinc/78/61/11/170786111.db2.gz UKGXHCXYZWELKJ-UHFFFAOYSA-N 0 0 264.668 3.222 50 5 CGBARN CCCCC(=O)Nc1ccc(CC)c([N+](=O)[O-])c1 ZINC000027318340 171513211 /nfs/dbraw/zinc/51/32/11/171513211.db2.gz WLXHBIGUIQZPIU-UHFFFAOYSA-N 0 0 250.298 3.286 50 5 CGBARN CCOC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)nc1C ZINC000038352515 174140767 /nfs/dbraw/zinc/14/07/67/174140767.db2.gz GFBBEVJAEBSTTJ-UHFFFAOYSA-N 0 0 286.287 3.142 50 5 CGBARN Cc1nnc(SCc2cccc([N+](=O)[O-])c2C)s1 ZINC000042151939 174644090 /nfs/dbraw/zinc/64/40/90/174644090.db2.gz PXCRFPLSFKYHED-UHFFFAOYSA-N 0 0 281.362 3.355 50 5 CGBARN O=c1c2ccccc2[nH]c2c1cccc2-n1cccc1 ZINC000008436503 275043102 /nfs/dbraw/zinc/04/31/02/275043102.db2.gz DDUKASDEWFTYHG-UHFFFAOYSA-N 0 0 260.296 3.472 50 5 CGBARN C[C@@H]1CCCN(c2ccc([N+](=O)[O-])c3cnccc32)C1 ZINC000012558200 278485214 /nfs/dbraw/zinc/48/52/14/278485214.db2.gz IQZXXMZJDSNAEN-LLVKDONJSA-N 0 0 271.320 3.379 50 5 CGBARN Cc1cc(C(=O)N2CCCc3ccccc32)ccc1[N+](=O)[O-] ZINC000000063720 278634821 /nfs/dbraw/zinc/63/48/21/278634821.db2.gz LJUJCTOPMHMICB-UHFFFAOYSA-N 0 0 296.326 3.496 50 5 CGBARN Cc1ccc(/N=c2\ssnc2Cl)cc1[N+](=O)[O-] ZINC000012462432 278779886 /nfs/dbraw/zinc/77/98/86/278779886.db2.gz SJZFBHPBFDWARA-LUAWRHEFSA-N 0 0 287.753 3.307 50 5 CGBARN Cc1c(Cl)c([N+](=O)[O-])cc([N+](=O)[O-])c1N1CCCC1 ZINC000004081305 280229932 /nfs/dbraw/zinc/22/99/32/280229932.db2.gz XBIXCDGLUZJKMJ-UHFFFAOYSA-N 0 0 285.687 3.065 50 5 CGBARN Cc1c([N+](=O)[O-])cc(Cl)c(Cl)c1[N+](=O)[O-] ZINC000034611993 280259228 /nfs/dbraw/zinc/25/92/28/280259228.db2.gz BIHKGLGGTMRFRS-UHFFFAOYSA-N 0 0 251.025 3.118 50 5 CGBARN O=[N+]([O-])c1ccc(SCCOc2ccccc2)nc1 ZINC000007462770 534883015 /nfs/dbraw/zinc/88/30/15/534883015.db2.gz CLCOVDXOZJFSIP-UHFFFAOYSA-N 0 0 276.317 3.161 50 5 CGBARN O=[N+]([O-])c1cccnc1Oc1cc(F)c(F)c(F)c1 ZINC000095836332 185029406 /nfs/dbraw/zinc/02/94/06/185029406.db2.gz NKGXSKNXDNPJPG-UHFFFAOYSA-N 0 0 270.166 3.199 50 5 CGBARN O=[N+]([O-])c1ccc(NCc2coc(-c3ccccc3)n2)cn1 ZINC000084564719 178899928 /nfs/dbraw/zinc/89/99/28/178899928.db2.gz NAIMEEWCAXJYFL-UHFFFAOYSA-N 0 0 296.286 3.257 50 5 CGBARN COc1ccc(Cn2cc3cc([N+](=O)[O-])ccc3n2)cc1 ZINC000095629668 345899924 /nfs/dbraw/zinc/89/99/24/345899924.db2.gz XOUOLGVSXMAVTP-UHFFFAOYSA-N 0 0 283.287 3.001 50 5 CGBARN Cc1ccc(OCc2nc3cc([N+](=O)[O-])ccc3o2)nc1 ZINC000089652311 179840664 /nfs/dbraw/zinc/84/06/64/179840664.db2.gz LAMASGFXYVLOIL-UHFFFAOYSA-N 0 0 285.259 3.018 50 5 CGBARN Cc1cccc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)n1 ZINC000000235424 368319798 /nfs/dbraw/zinc/31/97/98/368319798.db2.gz NLKLJCRZPMJTNP-UHFFFAOYSA-N 0 0 291.694 3.204 50 5 CGBARN Cc1ccc(C(=O)Nc2ccc(Cl)cn2)cc1[N+](=O)[O-] ZINC000000235970 368320287 /nfs/dbraw/zinc/32/02/87/368320287.db2.gz LBHNFFABBYZMOR-UHFFFAOYSA-N 0 0 291.694 3.204 50 5 CGBARN CCOc1ccccc1NC(=O)c1ccccc1[N+](=O)[O-] ZINC000000101879 368289514 /nfs/dbraw/zinc/28/95/14/368289514.db2.gz FBZPDJOSGMQYCQ-UHFFFAOYSA-N 0 0 286.287 3.246 50 5 CGBARN O=Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000000167775 368307772 /nfs/dbraw/zinc/30/77/72/368307772.db2.gz USANLFHAVKNUIF-UHFFFAOYSA-N 0 0 261.208 3.339 50 5 CGBARN C[C@@H]1CCCCN1C(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000000444326 368367794 /nfs/dbraw/zinc/36/77/94/368367794.db2.gz HAOPOICZXWUGKS-IDVQTMNDSA-N 0 0 274.320 3.009 50 5 CGBARN Cc1ccc(C(=O)NC(C(C)C)C(C)C)cc1[N+](=O)[O-] ZINC000000453590 368370283 /nfs/dbraw/zinc/37/02/83/368370283.db2.gz CMUYHXUACWPTSB-UHFFFAOYSA-N 0 0 278.352 3.314 50 5 CGBARN COc1ccc(C(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000000457206 368371289 /nfs/dbraw/zinc/37/12/89/368371289.db2.gz XOLMZHQBAOKBSS-UHFFFAOYSA-N 0 0 291.690 3.488 50 5 CGBARN O=C(Nc1ccccc1)Nc1cc([N+](=O)[O-])ccc1F ZINC000000358210 368347532 /nfs/dbraw/zinc/34/75/32/368347532.db2.gz VCRWTSUAWNVEPD-UHFFFAOYSA-N 0 0 275.239 3.378 50 5 CGBARN Cc1csc(NC(=O)/C=C/c2ccccc2[N+](=O)[O-])n1 ZINC000000466696 368373100 /nfs/dbraw/zinc/37/31/00/368373100.db2.gz OBQYBIAWGXHYAZ-VOTSOKGWSA-N 0 0 289.316 3.012 50 5 CGBARN O=C(Nc1cc([N+](=O)[O-])ccc1F)c1ccccc1F ZINC000000436950 368364798 /nfs/dbraw/zinc/36/47/98/368364798.db2.gz MAVFYCZCIAYAKM-UHFFFAOYSA-N 0 0 278.214 3.125 50 5 CGBARN CC(=O)Nc1ccc(OCc2cccc([N+](=O)[O-])c2)cc1 ZINC000000471863 368374541 /nfs/dbraw/zinc/37/45/41/368374541.db2.gz UTCCZNFVURIWFB-UHFFFAOYSA-N 0 0 286.287 3.132 50 5 CGBARN Cc1ccc(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)o1 ZINC000000476894 368376264 /nfs/dbraw/zinc/37/62/64/368376264.db2.gz BLBLSXQLMOKKSD-UHFFFAOYSA-N 0 0 280.667 3.402 50 5 CGBARN CC(=O)c1ccc(COc2ccc([N+](=O)[O-])cc2)cc1 ZINC000000614012 368392432 /nfs/dbraw/zinc/39/24/32/368392432.db2.gz XQNIDCPJIMOMLY-UHFFFAOYSA-N 0 0 271.272 3.376 50 5 CGBARN COc1ccc(OCc2cc([N+](=O)[O-])ccc2OC)cc1 ZINC000002166682 368448655 /nfs/dbraw/zinc/44/86/55/368448655.db2.gz JCONDSXXTGHEGD-UHFFFAOYSA-N 0 0 289.287 3.191 50 5 CGBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)OCc1ccco1 ZINC000001753383 368437733 /nfs/dbraw/zinc/43/77/33/368437733.db2.gz MZLPUSKQVKVCMC-UHFFFAOYSA-N 0 0 276.248 3.245 50 5 CGBARN C[C@@]1(c2ccc([N+](=O)[O-])cc2)NN=C(c2ccccc2)S1 ZINC000002915178 368485252 /nfs/dbraw/zinc/48/52/52/368485252.db2.gz DBHLSFHIRABFSN-OAHLLOKOSA-N 0 0 299.355 3.466 50 5 CGBARN CC(C)c1ccc(C(=O)Nc2ccc([N+](=O)[O-])cn2)cc1 ZINC000004619686 368553302 /nfs/dbraw/zinc/55/33/02/368553302.db2.gz MOTKFEJFBIZVJQ-UHFFFAOYSA-N 0 0 285.303 3.366 50 5 CGBARN Cc1ccc(NC(=O)c2cccc(F)c2)c([N+](=O)[O-])c1 ZINC000004644252 368554019 /nfs/dbraw/zinc/55/40/19/368554019.db2.gz GUAVDYCRXXMOOB-UHFFFAOYSA-N 0 0 274.251 3.295 50 5 CGBARN O=[N+]([O-])c1ccc(Oc2ccc3c(c2)OCO3)cc1 ZINC000004691418 368556598 /nfs/dbraw/zinc/55/65/98/368556598.db2.gz COESAXSVDFHOHC-UHFFFAOYSA-N 0 0 259.217 3.116 50 5 CGBARN Cc1cc([N+](=O)[O-])ccc1NCc1ccc2c(c1)OCO2 ZINC000004685522 368557428 /nfs/dbraw/zinc/55/74/28/368557428.db2.gz HUWKCHOVIMSRCZ-UHFFFAOYSA-N 0 0 286.287 3.244 50 5 CGBARN CC(C)=CC(=O)N(C)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000025829616 368852849 /nfs/dbraw/zinc/85/28/49/368852849.db2.gz NGCMJSDAWWCEPT-LLVKDONJSA-N 0 0 262.309 3.080 50 5 CGBARN Cc1cc([N+](=O)[O-])ccc1NC(=O)/C=C\c1ccco1 ZINC000033926517 368971289 /nfs/dbraw/zinc/97/12/89/368971289.db2.gz UBJAOPSZBZOEIX-ALCCZGGFSA-N 0 0 272.260 3.148 50 5 CGBARN O=[N+]([O-])c1ccc(OCc2ccccc2)c(F)c1F ZINC000088260413 370032121 /nfs/dbraw/zinc/03/21/21/370032121.db2.gz CEPXFJNTZQMVSD-UHFFFAOYSA-N 0 0 265.215 3.452 50 5 CGBARN Cc1c(CNc2cccc(CO)c2)cccc1[N+](=O)[O-] ZINC000097037433 370216362 /nfs/dbraw/zinc/21/63/62/370216362.db2.gz CQTSUDMNPJFDIG-UHFFFAOYSA-N 0 0 272.304 3.008 50 5 CGBARN C[C@@H](CCO)C1(CNc2ccccc2[N+](=O)[O-])CCC1 ZINC000095463009 370198510 /nfs/dbraw/zinc/19/85/10/370198510.db2.gz OLONBPWGQRFQEI-LBPRGKRZSA-N 0 0 278.352 3.196 50 5 CGBARN CC(C)Oc1ccc(Cn2cnc([N+](=O)[O-])c2)cc1Cl ZINC000186532181 374869101 /nfs/dbraw/zinc/86/91/01/374869101.db2.gz RHVQQYRRKFLKBZ-UHFFFAOYSA-N 0 0 295.726 3.280 50 5 CGBARN Cc1cc(Br)cc(OC(F)F)c1[N+](=O)[O-] ZINC000263623866 190070151 /nfs/dbraw/zinc/07/01/51/190070151.db2.gz LKFNEPKAXUFYCL-UHFFFAOYSA-N 0 0 282.040 3.267 50 5 CGBARN COc1cc(-c2nc3ccccc3[nH]2)c([N+](=O)[O-])cc1OC ZINC000000032149 169510080 /nfs/dbraw/zinc/51/00/80/169510080.db2.gz BRTFSWIAKCRHFP-UHFFFAOYSA-N 0 0 299.286 3.155 50 5 CGBARN Cc1ccc(C(=O)N2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000000253012 169587872 /nfs/dbraw/zinc/58/78/72/169587872.db2.gz KNKJBNAMDFEVAR-UHFFFAOYSA-N 0 0 296.326 3.102 50 5 CGBARN O=[N+]([O-])c1cccc([C@H]2CC(c3ccccc3)=NN2)c1 ZINC000000282256 169596521 /nfs/dbraw/zinc/59/65/21/169596521.db2.gz SBOLHAHQOAMFDO-OAHLLOKOSA-N 0 0 267.288 3.034 50 5 CGBARN Cc1cc(C)cc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC000000437411 169640296 /nfs/dbraw/zinc/64/02/96/169640296.db2.gz PGDXNOFSVINZQJ-UHFFFAOYSA-N 0 0 284.315 3.393 50 5 CGBARN O=C1C[C@H](c2ccccc2[N+](=O)[O-])c2ccccc2N1 ZINC000000087675 296349938 /nfs/dbraw/zinc/34/99/38/296349938.db2.gz ZRGZXYFMFDBJQY-LBPRGKRZSA-N 0 0 268.272 3.069 50 5 CGBARN O=Cc1ccc2[nH]c3cc(Cl)ccc3c(=O)c2c1 ZINC000005827526 285033169 /nfs/dbraw/zinc/03/31/69/285033169.db2.gz JKVOPUGGMWPFOI-UHFFFAOYSA-N 0 0 257.676 3.147 50 5 CGBARN O=[N+]([O-])c1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000004134043 285138255 /nfs/dbraw/zinc/13/82/55/285138255.db2.gz ZKMOMHWTRWMDBT-UHFFFAOYSA-N 0 0 278.195 3.434 50 5 CGBARN O=[N+]([O-])c1ccc(OCc2nnc(-c3ccccc3)o2)cc1 ZINC000003249757 285137479 /nfs/dbraw/zinc/13/74/79/285137479.db2.gz MEUVGPGJAWASLP-UHFFFAOYSA-N 0 0 297.270 3.224 50 5 CGBARN O=[N+]([O-])c1ccc2c(c1)oc1ccc([N+](=O)[O-])cc12 ZINC000004416807 285146206 /nfs/dbraw/zinc/14/62/06/285146206.db2.gz VVSJARSODDEAAL-UHFFFAOYSA-N 0 0 258.189 3.402 50 5 CGBARN O=c1c2ccccc2oc2nc(-c3ccncc3)ccc21 ZINC000001395748 285213234 /nfs/dbraw/zinc/21/32/34/285213234.db2.gz IRGDPNGNWXDQBP-UHFFFAOYSA-N 0 0 274.279 3.403 50 5 CGBARN COc1ccccc1NCc1ccc([N+](=O)[O-])s1 ZINC000000279941 259999449 /nfs/dbraw/zinc/99/94/49/259999449.db2.gz NOUMACRHVJYYLO-UHFFFAOYSA-N 0 0 264.306 3.277 50 5 CGBARN O=[N+]([O-])c1cc(F)c(OC(F)(F)Cl)c(F)c1 ZINC000095215756 184946997 /nfs/dbraw/zinc/94/69/97/184946997.db2.gz WUEKXENAEFPSLS-UHFFFAOYSA-N 0 0 259.542 3.041 50 5 CGBARN CCN(Cc1ccccc1[N+](=O)[O-])C(=O)c1occc1C ZINC000047546946 397632847 /nfs/dbraw/zinc/63/28/47/397632847.db2.gz XLRSWXYXYVLVCX-UHFFFAOYSA-N 0 0 288.303 3.159 50 5 CGBARN CO[C@H](C)c1sc([N+](=O)[O-])cc1Br ZINC000000336307 285978584 /nfs/dbraw/zinc/97/85/84/285978584.db2.gz ZTTRXEZAPGJHJO-SCSAIBSYSA-N 0 0 266.116 3.126 50 5 CGBARN CCc1ccccc1OC(=O)c1cccc([N+](=O)[O-])c1 ZINC000003332136 169880092 /nfs/dbraw/zinc/88/00/92/169880092.db2.gz ZPULGVHKPQNNJE-UHFFFAOYSA-N 0 0 271.272 3.376 50 5 CGBARN CCC(C)(C)NC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000003551739 169896170 /nfs/dbraw/zinc/89/61/70/169896170.db2.gz UZFRYHCMAPZWIY-UHFFFAOYSA-N 0 0 270.716 3.167 50 5 CGBARN Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccc(Cl)cc1 ZINC000005073658 170064209 /nfs/dbraw/zinc/06/42/09/170064209.db2.gz ZNODUMZMWLTGML-UHFFFAOYSA-N 0 0 276.679 3.061 50 5 CGBARN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1cccs1 ZINC000006220415 170183405 /nfs/dbraw/zinc/18/34/05/170183405.db2.gz CGKKEZCIVIQVEF-VIFPVBQESA-N 0 0 276.317 3.147 50 5 CGBARN C[C@@H](C1CC1)N(C(=O)Nc1ccccc1[N+](=O)[O-])C1CC1 ZINC000040150048 174195184 /nfs/dbraw/zinc/19/51/84/174195184.db2.gz XNKSAFXXNIRYIJ-JTQLQIEISA-N 0 0 289.335 3.390 50 5 CGBARN CN(Cc1c(F)cccc1Cl)c1ncccc1[N+](=O)[O-] ZINC000040160651 174196020 /nfs/dbraw/zinc/19/60/20/174196020.db2.gz MMYNYBPHNGLBON-UHFFFAOYSA-N 0 0 295.701 3.419 50 5 CGBARN CC1(C)CC(C)(C)c2c1cc1n[nH]cc1c2[N+](=O)[O-] ZINC000044676147 175226911 /nfs/dbraw/zinc/22/69/11/175226911.db2.gz UTYQIVLMFOMOEV-UHFFFAOYSA-N 0 0 259.309 3.430 50 5 CGBARN COc1ccc([N+](=O)[O-])cc1C(=O)OCc1cccs1 ZINC000071802257 176266275 /nfs/dbraw/zinc/26/62/75/176266275.db2.gz CCXKVJLSSYGQPD-UHFFFAOYSA-N 0 0 293.300 3.022 50 5 CGBARN COc1ccc2oc(=O)c(-c3ccc([N+](=O)[O-])cc3)cc2c1 ZINC000000058047 274143928 /nfs/dbraw/zinc/14/39/28/274143928.db2.gz ATLZEMJLXONUAD-UHFFFAOYSA-N 0 0 297.266 3.377 50 5 CGBARN Cc1ccccc1-n1ncc2ccc([N+](=O)[O-])cc21 ZINC000000085664 278947675 /nfs/dbraw/zinc/94/76/75/278947675.db2.gz SHWDHTUVDRASDK-UHFFFAOYSA-N 0 0 253.261 3.242 50 5 CGBARN CCOc1c([N+](=O)[O-])cc(C(C)(C)C)cc1[N+](=O)[O-] ZINC000002055042 279942619 /nfs/dbraw/zinc/94/26/19/279942619.db2.gz PSTQFDNMDINJHU-UHFFFAOYSA-N 0 0 268.269 3.199 50 5 CGBARN O=[N+]([O-])c1cc(C(F)(F)F)ccc1Nc1cn[nH]c1 ZINC000030587634 280357049 /nfs/dbraw/zinc/35/70/49/280357049.db2.gz AACQBJXALAGGHI-UHFFFAOYSA-N 0 0 272.186 3.080 50 5 CGBARN O=[N+]([O-])c1ccc(N2CCCC2)c(C(F)(F)F)c1 ZINC000004046679 280366136 /nfs/dbraw/zinc/36/61/36/280366136.db2.gz BAUOMGQLDRWYSR-UHFFFAOYSA-N 0 0 260.215 3.214 50 5 CGBARN Cc1cc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])sn1 ZINC000089608924 179829120 /nfs/dbraw/zinc/82/91/20/179829120.db2.gz HLAWMNQTGAWVCZ-UHFFFAOYSA-N 0 0 297.723 3.265 50 5 CGBARN O=[N+]([O-])c1ccccc1-c1nnc(-c2cccs2)o1 ZINC000000039020 368275658 /nfs/dbraw/zinc/27/56/58/368275658.db2.gz WTLOQEQRDOYZMC-UHFFFAOYSA-N 0 0 273.273 3.373 50 5 CGBARN O=C(C[C@H]1OC(=O)c2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000000099204 368289523 /nfs/dbraw/zinc/28/95/23/368289523.db2.gz HZCOAGLFMSQFSO-OAHLLOKOSA-N 0 0 297.266 3.079 50 5 CGBARN CC(C)C(NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000000453539 368369909 /nfs/dbraw/zinc/36/99/09/368369909.db2.gz USDDTSQRJXKLID-UHFFFAOYSA-N 0 0 264.325 3.005 50 5 CGBARN CN(C(=O)Oc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000000473175 368373902 /nfs/dbraw/zinc/37/39/02/368373902.db2.gz ZXKPVAWMWIGLCV-UHFFFAOYSA-N 0 0 272.260 3.230 50 5 CGBARN COc1ccc([N+](=O)[O-])cc1NCc1cc(F)ccc1F ZINC000000292751 368334535 /nfs/dbraw/zinc/33/45/35/368334535.db2.gz NILUXAJZDHOAHC-UHFFFAOYSA-N 0 0 294.257 3.494 50 5 CGBARN Cc1cccc(NC(=O)c2cccc([N+](=O)[O-])c2C)c1 ZINC000000300668 368335421 /nfs/dbraw/zinc/33/54/21/368335421.db2.gz VPYGCGLFZVMTRP-UHFFFAOYSA-N 0 0 270.288 3.464 50 5 CGBARN Cc1ccc(C(=O)N2C[C@@H](C)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000000304722 368337395 /nfs/dbraw/zinc/33/73/95/368337395.db2.gz JLPQXRMIYNILFF-QWRGUYRKSA-N 0 0 276.336 3.021 50 5 CGBARN C[C@H]1CCCCN1C(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000000463534 368372171 /nfs/dbraw/zinc/37/21/71/368372171.db2.gz RXODCDXITBQPQH-VMPCVLLUSA-N 0 0 274.320 3.009 50 5 CGBARN O=C(Oc1cccc2cccnc21)c1ccccc1[N+](=O)[O-] ZINC000000353850 368345426 /nfs/dbraw/zinc/34/54/26/368345426.db2.gz OCGKWDSYPRAOLA-UHFFFAOYSA-N 0 0 294.266 3.362 50 5 CGBARN CCOc1ccc(Oc2cc(O)cc([N+](=O)[O-])c2)cc1 ZINC000000615373 368392214 /nfs/dbraw/zinc/39/22/14/368392214.db2.gz JCPNGIFYWGJBFA-UHFFFAOYSA-N 0 0 275.260 3.491 50 5 CGBARN CN(Cc1ccccc1)C(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000002753460 368475305 /nfs/dbraw/zinc/47/53/05/368475305.db2.gz IDCLTVSCZJJOLS-ZHACJKMWSA-N 0 0 296.326 3.267 50 5 CGBARN Cc1c(C(=O)NCCCc2ccccc2)cccc1[N+](=O)[O-] ZINC000002746873 368475342 /nfs/dbraw/zinc/47/53/42/368475342.db2.gz VWITYFNXUHGNOQ-UHFFFAOYSA-N 0 0 298.342 3.266 50 5 CGBARN C[C@H](Oc1ccccc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000002967037 368487053 /nfs/dbraw/zinc/48/70/53/368487053.db2.gz YTCOIZZJRBEEPI-NSHDSACASA-N 0 0 286.287 3.001 50 5 CGBARN O=[N+]([O-])c1ccccc1NCCOc1ccccc1 ZINC000004035919 368528652 /nfs/dbraw/zinc/52/86/52/368528652.db2.gz PZJKHRQJHJKAFS-UHFFFAOYSA-N 0 0 258.277 3.086 50 5 CGBARN Cc1ccc(F)cc1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000003566319 368514425 /nfs/dbraw/zinc/51/44/25/368514425.db2.gz JITQODJIYFNPJW-UHFFFAOYSA-N 0 0 274.251 3.295 50 5 CGBARN CC[C@@H](C)C(=O)Nc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000004524541 368549520 /nfs/dbraw/zinc/54/95/20/368549520.db2.gz GZDKCUNLWPSIPA-SSDOTTSWSA-N 0 0 279.321 3.189 50 5 CGBARN O=C(/C=C\c1ccccc1[N+](=O)[O-])Nc1ccccc1 ZINC000012731555 368624506 /nfs/dbraw/zinc/62/45/06/368624506.db2.gz CCPMJLIQXHEYNU-KHPPLWFESA-N 0 0 268.272 3.247 50 5 CGBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CC=CCC1 ZINC000012758077 368625192 /nfs/dbraw/zinc/62/51/92/368625192.db2.gz OSDGORVOHMSQGU-NSHDSACASA-N 0 0 260.293 3.198 50 5 CGBARN Cc1ccc(NC(=O)C2[C@@H]3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000018168342 368740829 /nfs/dbraw/zinc/74/08/29/368740829.db2.gz BYZAYPJHKXBYHG-ONXXMXGDSA-N 0 0 274.320 3.278 50 5 CGBARN O=[N+]([O-])c1ccc(NCc2ccc(OC(F)F)cc2)nc1 ZINC000022807063 368812435 /nfs/dbraw/zinc/81/24/35/368812435.db2.gz QOXZDPXCDYQLEQ-UHFFFAOYSA-N 0 0 295.245 3.203 50 5 CGBARN O=[N+]([O-])c1cn(Cc2csc(-c3ccsc3)n2)cn1 ZINC000026123896 368855415 /nfs/dbraw/zinc/85/54/15/368855415.db2.gz GQXLJSSULNXDKU-UHFFFAOYSA-N 0 0 292.345 3.025 50 5 CGBARN COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)CCC(C)C ZINC000032744443 368942978 /nfs/dbraw/zinc/94/29/78/368942978.db2.gz TYDHUGLQFBGUSK-NSHDSACASA-N 0 0 294.351 3.158 50 5 CGBARN C[C@H](Nc1ccc([N+](=O)[O-])cn1)c1cccc(F)c1 ZINC000042293870 369210812 /nfs/dbraw/zinc/21/08/12/369210812.db2.gz RZJSIXBPCABRJR-VIFPVBQESA-N 0 0 261.256 3.302 50 5 CGBARN C[C@@H](NC(=O)N1CCCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000059853924 369581559 /nfs/dbraw/zinc/58/15/59/369581559.db2.gz RXGSQCGHBDUEGP-GFCCVEGCSA-N 0 0 291.351 3.241 50 5 CGBARN CCc1ncc(C(=O)Nc2cc([N+](=O)[O-])ccc2F)s1 ZINC000065050557 369663719 /nfs/dbraw/zinc/66/37/19/369663719.db2.gz YDTQRPVQYGKUGS-UHFFFAOYSA-N 0 0 295.295 3.005 50 5 CGBARN Cc1cccc2ncnc(NCc3cccc([N+](=O)[O-])c3)c12 ZINC000170652375 372646807 /nfs/dbraw/zinc/64/68/07/372646807.db2.gz KZXKQFKSNNLKNJ-UHFFFAOYSA-N 0 0 294.314 3.459 50 5 CGBARN Cc1ccc([C@@H](C)OC(=O)c2cscn2)cc1[N+](=O)[O-] ZINC000084190200 541931844 /nfs/dbraw/zinc/93/18/44/541931844.db2.gz UPOBNLQTLJXAAP-SECBINFHSA-N 0 0 292.316 3.278 50 5 CGBARN O=[N+]([O-])c1ccc(CN2CCCCC2)cc1Cl ZINC000187483152 375029686 /nfs/dbraw/zinc/02/96/86/375029686.db2.gz XKEBXFUVTWKTID-UHFFFAOYSA-N 0 0 254.717 3.234 50 5 CGBARN C[C@@H]1CCCN(c2ccc([N+](=O)[O-])c(NC3CC3)c2)C1 ZINC000221531390 376217652 /nfs/dbraw/zinc/21/76/52/376217652.db2.gz PRHFKMBJWHEOMJ-LLVKDONJSA-N 0 0 275.352 3.405 50 5 CGBARN Cc1nc(C)c(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)o1 ZINC000225796103 376327111 /nfs/dbraw/zinc/32/71/11/376327111.db2.gz POLLURWEYQMEPN-UHFFFAOYSA-N 0 0 295.682 3.105 50 5 CGBARN Cc1cc([N+](=O)[O-])c(Br)cc1OC(F)F ZINC000263624393 190071188 /nfs/dbraw/zinc/07/11/88/190071188.db2.gz QBKDBAIZULQKCK-UHFFFAOYSA-N 0 0 282.040 3.267 50 5 CGBARN COc1cccc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c1 ZINC000000060497 169521849 /nfs/dbraw/zinc/52/18/49/169521849.db2.gz GCUQCANQGRIXCD-JXMROGBWSA-N 0 0 298.298 3.255 50 5 biogenic CGBARN O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CCCCCC1 ZINC000000063850 169523124 /nfs/dbraw/zinc/52/31/24/169523124.db2.gz FENYUYIKUBGJHI-CMDGGOBGSA-N 0 0 274.320 3.011 50 5 biogenic CGBARN N#C[C@H](OC(=O)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000000129304 169546973 /nfs/dbraw/zinc/54/69/73/169546973.db2.gz QQXSHVPSBDZQCC-AWEZNQCLSA-N 0 0 282.255 3.016 50 5 CGBARN Cc1cc(C)nc(SCc2ccc([N+](=O)[O-])cc2)n1 ZINC000000207172 169574562 /nfs/dbraw/zinc/57/45/62/169574562.db2.gz VRRVTSNVLDQZGZ-UHFFFAOYSA-N 0 0 275.333 3.294 50 5 CGBARN COc1ccc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000000271497 169593689 /nfs/dbraw/zinc/59/36/89/169593689.db2.gz CGPMTRXYRUTGNR-UHFFFAOYSA-N 0 0 286.287 3.164 50 5 CGBARN Cc1ncc([N+](=O)[O-])n1Cc1cccc2ccccc21 ZINC000000312790 169605809 /nfs/dbraw/zinc/60/58/09/169605809.db2.gz BGJRFKGVBCKQRQ-UHFFFAOYSA-N 0 0 267.288 3.301 50 5 CGBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)Cc1cccs1 ZINC000000444111 169642339 /nfs/dbraw/zinc/64/23/39/169642339.db2.gz QGQIPLTUSLHMSM-UHFFFAOYSA-N 0 0 276.317 3.146 50 5 CGBARN O=[N+]([O-])c1ccc(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000043427368 285104135 /nfs/dbraw/zinc/10/41/35/285104135.db2.gz OEAUPEOHNHSDSG-UHFFFAOYSA-N 0 0 289.203 3.078 50 5 CGBARN CC(C)(C)c1onc2c1C(=O)c1cc([N+](=O)[O-])ccc1-2 ZINC000002518595 391915773 /nfs/dbraw/zinc/91/57/73/391915773.db2.gz YURRUQFOBZNSKR-UHFFFAOYSA-N 0 0 272.260 3.092 50 5 CGBARN CC(=O)c1cc(N2Cc3ccccc3C2)ccc1[N+](=O)[O-] ZINC000228259895 393019259 /nfs/dbraw/zinc/01/92/59/393019259.db2.gz IWJIOEVPSHQNRR-UHFFFAOYSA-N 0 0 282.299 3.318 50 5 CGBARN O=[N+]([O-])c1cc(Cl)cc(Br)c1F ZINC000216701898 296498557 /nfs/dbraw/zinc/49/85/57/296498557.db2.gz XJLAZXFXRUYJNM-UHFFFAOYSA-N 0 0 254.442 3.150 50 5 CGBARN O=c1oc2ccccc2cc1-c1ccccc1[N+](=O)[O-] ZINC000020134578 296534707 /nfs/dbraw/zinc/53/47/07/296534707.db2.gz BNVJQYFDONFUQQ-UHFFFAOYSA-N 0 0 267.240 3.368 50 5 CGBARN C[C@H](C(=O)Nc1ccccc1)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000002164956 169777973 /nfs/dbraw/zinc/77/79/73/169777973.db2.gz IQAAIDFAGBSKDA-NSHDSACASA-N 0 0 298.298 3.052 50 5 CGBARN COc1ccc(-c2cc3cc([N+](=O)[O-])ccc3oc2=O)cc1 ZINC000003099338 169855212 /nfs/dbraw/zinc/85/52/12/169855212.db2.gz XBBKUDGSXITMSM-UHFFFAOYSA-N 0 0 297.266 3.377 50 5 CGBARN O=C(NCc1ccccc1Cl)c1ccc([N+](=O)[O-])cc1 ZINC000003562298 169897245 /nfs/dbraw/zinc/89/72/45/169897245.db2.gz YCDNGYWZZPNCAV-UHFFFAOYSA-N 0 0 290.706 3.178 50 5 CGBARN CCCc1nn(C(=O)c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000004107407 169932813 /nfs/dbraw/zinc/93/28/13/169932813.db2.gz RMXYYLKWHVMGCE-UHFFFAOYSA-N 0 0 293.710 3.086 50 5 CGBARN O=C(Nc1ccc(Cl)cc1[N+](=O)[O-])Oc1cccnc1 ZINC000004773264 170014386 /nfs/dbraw/zinc/01/43/86/170014386.db2.gz VUMIHTLDWVFUHH-UHFFFAOYSA-N 0 0 293.666 3.254 50 5 CGBARN O=[N+]([O-])/C=C/c1ccc(-c2ccc(F)cc2F)o1 ZINC000004841494 170027978 /nfs/dbraw/zinc/02/79/78/170027978.db2.gz PESZWHSAOSYQMP-AATRIKPKSA-N 0 0 251.188 3.472 50 5 CGBARN O=[N+]([O-])c1cccc(NC(=S)NCc2ccccc2)c1 ZINC000005127294 170068871 /nfs/dbraw/zinc/06/88/71/170068871.db2.gz YQTGEFRIHFOBTH-UHFFFAOYSA-N 0 0 287.344 3.081 50 5 CGBARN O=[N+]([O-])c1ccc(NCn2cnc3ccccc32)cc1 ZINC000005324216 170085817 /nfs/dbraw/zinc/08/58/17/170085817.db2.gz PZIDAFBRICVWHE-UHFFFAOYSA-N 0 0 268.276 3.014 50 5 CGBARN CCOc1ccccc1Nc1ncccc1[N+](=O)[O-] ZINC000007185945 170270224 /nfs/dbraw/zinc/27/02/24/170270224.db2.gz QUQDXJMATRGCSV-UHFFFAOYSA-N 0 0 259.265 3.132 50 5 CGBARN O=[N+]([O-])c1c(Nc2ccccc2)nc2sccn21 ZINC000008308398 170330056 /nfs/dbraw/zinc/33/00/56/170330056.db2.gz ADMJYPPSZNZFTL-UHFFFAOYSA-N 0 0 260.278 3.048 50 5 CGBARN CNc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(C)cc1 ZINC000008780545 170355604 /nfs/dbraw/zinc/35/56/04/170355604.db2.gz JCROIYNYFCWZHE-UHFFFAOYSA-N 0 0 285.303 3.197 50 5 CGBARN O=[N+]([O-])c1ccc2[nH]c(CN3CCc4ccccc43)nc2c1 ZINC000009908740 170389221 /nfs/dbraw/zinc/38/92/21/170389221.db2.gz TUMUGBAARFINQD-UHFFFAOYSA-N 0 0 294.314 3.034 50 5 CGBARN Cn1c2ccccc2nc1CNc1ccc([N+](=O)[O-])cc1 ZINC000009911258 170389809 /nfs/dbraw/zinc/38/98/09/170389809.db2.gz MCMVRGVWYFSECQ-UHFFFAOYSA-N 0 0 282.303 3.094 50 5 CGBARN Cc1cc(C(F)(F)F)nc2[nH]c(=O)c3ccccc3c12 ZINC000012610356 170500571 /nfs/dbraw/zinc/50/05/71/170500571.db2.gz DRKNNRNHSWAINH-UHFFFAOYSA-N 0 0 278.233 3.355 50 5 in-vitro CGBARN Cc1cc(C(=O)N2C[C@H](C)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000018086827 170742061 /nfs/dbraw/zinc/74/20/61/170742061.db2.gz YQVFNVMYAHQUOB-PHIMTYICSA-N 0 0 276.336 3.021 50 5 CGBARN Cc1ccsc1CN(C)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000021797504 171325290 /nfs/dbraw/zinc/32/52/90/171325290.db2.gz WJLOIKGYXCYQLB-UHFFFAOYSA-N 0 0 290.344 3.237 50 5 CGBARN COc1ccc(OC)c(CNc2ccccc2[N+](=O)[O-])c1 ZINC000024211899 171432921 /nfs/dbraw/zinc/43/29/21/171432921.db2.gz XVUOOVZPDGGGQU-UHFFFAOYSA-N 0 0 288.303 3.224 50 5 CGBARN Cc1cc(C)c(COc2cccnc2[N+](=O)[O-])c(C)c1 ZINC000049151719 175465502 /nfs/dbraw/zinc/46/55/02/175465502.db2.gz MAFUQHGMRZOYHZ-UHFFFAOYSA-N 0 0 272.304 3.494 50 5 CGBARN COCCN(c1ccc([N+](=O)[O-])cc1F)C1CCCC1 ZINC000065229390 175705023 /nfs/dbraw/zinc/70/50/23/175705023.db2.gz KGFDWTDDOUWCQX-UHFFFAOYSA-N 0 0 282.315 3.129 50 5 CGBARN CCN(CC(F)(F)F)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000076552575 177037250 /nfs/dbraw/zinc/03/72/50/177037250.db2.gz MXFGRDAVIGZBNZ-UHFFFAOYSA-N 0 0 291.229 3.011 50 5 CGBARN O=[N+]([O-])c1ccc(NCc2cccnc2)cc1OC(F)F ZINC000084425083 416496411 /nfs/dbraw/zinc/49/64/11/416496411.db2.gz ZGJYMKLOEPTJTL-UHFFFAOYSA-N 0 0 295.245 3.203 50 5 CGBARN Cc1ccc(NC(=O)c2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000004016757 261339701 /nfs/dbraw/zinc/33/97/01/261339701.db2.gz JFLLGRNQQFFMFP-UHFFFAOYSA-N 0 0 274.251 3.295 50 5 CGBARN O=[N+]([O-])c1ccccc1[C@@H]1CC(c2ccccc2)=NN1 ZINC000000175261 275040267 /nfs/dbraw/zinc/04/02/67/275040267.db2.gz JHZNFRUVABFCJF-AWEZNQCLSA-N 0 0 267.288 3.034 50 5 CGBARN CN(C)c1ccc2c(c1[N+](=O)[O-])Cc1ccccc1-2 ZINC000004558945 276885526 /nfs/dbraw/zinc/88/55/26/276885526.db2.gz MKVQWWABNGLLSW-UHFFFAOYSA-N 0 0 254.289 3.232 50 5 CGBARN C[C@@]12CCCCC1=N[C@H](c1ccc([N+](=O)[O-])cc1)N2O ZINC000019606423 278131010 /nfs/dbraw/zinc/13/10/10/278131010.db2.gz RJFKUDLDCYFOQT-UONOGXRCSA-N 0 0 275.308 3.072 50 5 CGBARN C[C@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000005533450 278330842 /nfs/dbraw/zinc/33/08/42/278330842.db2.gz RKVIDSXELOQVNJ-VIFPVBQESA-N 0 0 282.727 3.263 50 5 CGBARN O=C1CC2(CCCCC2)c2sc([N+](=O)[O-])cc21 ZINC000000385875 280248826 /nfs/dbraw/zinc/24/88/26/280248826.db2.gz XZMRWOYTKGNSGT-UHFFFAOYSA-N 0 0 251.307 3.445 50 5 CGBARN Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000000260683 280910799 /nfs/dbraw/zinc/91/07/99/280910799.db2.gz DGGPXDZCZMNNJB-UHFFFAOYSA-N 0 0 256.261 3.156 50 5 CGBARN Cc1nc2oc3ccccc3c(=O)c2cc1C(=O)OC(C)C ZINC000004426071 282132879 /nfs/dbraw/zinc/13/28/79/282132879.db2.gz VXNBNAJYSULRSV-UHFFFAOYSA-N 0 0 297.310 3.215 50 5 CGBARN O=[N+]([O-])c1ccc2c(c1)N=C(c1ccc(F)cc1)CO2 ZINC000196560280 346276353 /nfs/dbraw/zinc/27/63/53/346276353.db2.gz QXTZMFHJHRHNLD-UHFFFAOYSA-N 0 0 272.235 3.247 50 5 CGBARN Cc1ccc2ncnc(NCc3ccc([N+](=O)[O-])cc3)c2c1 ZINC000170638388 188680083 /nfs/dbraw/zinc/68/00/83/188680083.db2.gz BCFJWPZHUCKQOO-UHFFFAOYSA-N 0 0 294.314 3.459 50 5 CGBARN Cc1ccc(OC(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000000038539 368274050 /nfs/dbraw/zinc/27/40/50/368274050.db2.gz MJLXQKNXJKYSOA-UHFFFAOYSA-N 0 0 257.245 3.122 50 5 CGBARN O=C(c1ccccc1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000058234 368279295 /nfs/dbraw/zinc/27/92/95/368279295.db2.gz YBDBYPQFIMSFJW-UHFFFAOYSA-N 0 0 261.664 3.479 50 5 CGBARN CC(=O)c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000000068124 368281815 /nfs/dbraw/zinc/28/18/15/368281815.db2.gz CILHGCKMLIYRIB-UHFFFAOYSA-N 0 0 298.298 3.358 50 5 CGBARN Cc1cccc(C)c1NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000000075320 368282661 /nfs/dbraw/zinc/28/26/61/368282661.db2.gz JLAUBDMBLWWDCY-UHFFFAOYSA-N 0 0 284.315 3.393 50 5 CGBARN CC(C)CCNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000442599 368367651 /nfs/dbraw/zinc/36/76/51/368367651.db2.gz ADEZXMGRSADAMM-UHFFFAOYSA-N 0 0 270.716 3.024 50 5 CGBARN O=C(CCc1ccccc1)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000000253698 368325036 /nfs/dbraw/zinc/32/50/36/368325036.db2.gz AGDQZJPULREBJW-UHFFFAOYSA-N 0 0 288.278 3.305 50 5 CGBARN Cc1ccccc1C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000000301506 368335590 /nfs/dbraw/zinc/33/55/90/368335590.db2.gz ZDJAPPYJELPYEM-UHFFFAOYSA-N 0 0 270.288 3.464 50 5 CGBARN C[C@H]1C[C@H](C)CN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000000465232 368373223 /nfs/dbraw/zinc/37/32/23/368373223.db2.gz VFIFRHCLZDRSDO-FVWNJDPFSA-N 0 0 288.347 3.113 50 5 CGBARN COc1ccc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1 ZINC000000438940 368366101 /nfs/dbraw/zinc/36/61/01/368366101.db2.gz FHFMVOINLAKJIR-NYYWCZLTSA-N 0 0 298.298 3.255 50 5 CGBARN CC(=O)Nc1ccc2c(c1)Cc1cc([N+](=O)[O-])ccc1-2 ZINC000001841591 368439095 /nfs/dbraw/zinc/43/90/95/368439095.db2.gz SKWHFLFJZQKVIV-UHFFFAOYSA-N 0 0 268.272 3.124 50 5 CGBARN O=[N+]([O-])c1ccc(COc2ncnc3ccccc32)cc1 ZINC000002627185 368469256 /nfs/dbraw/zinc/46/92/56/368469256.db2.gz FWBKRKRIEVYPPP-UHFFFAOYSA-N 0 0 281.271 3.117 50 5 CGBARN Cc1ccc(CNC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1 ZINC000002736506 368474212 /nfs/dbraw/zinc/47/42/12/368474212.db2.gz JOGVHNVKPLVVCK-MDZDMXLPSA-N 0 0 296.326 3.233 50 5 CGBARN Cc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2F)cc1 ZINC000002899641 368485531 /nfs/dbraw/zinc/48/55/31/368485531.db2.gz SGPBDQSJXSDSCM-UHFFFAOYSA-N 0 0 274.251 3.295 50 5 CGBARN CCN(c1ccccc1)c1ccc([N+](=O)[O-])c2nonc21 ZINC000003904268 368523532 /nfs/dbraw/zinc/52/35/32/368523532.db2.gz OOOFHIGCIRXAQU-UHFFFAOYSA-N 0 0 284.275 3.289 50 5 CGBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)Cc1ccccc1F ZINC000003416278 368505955 /nfs/dbraw/zinc/50/59/55/368505955.db2.gz QKYNMDQDBYRHBX-UHFFFAOYSA-N 0 0 288.278 3.224 50 5 CGBARN CCCOc1ccc(/C=C(/C)[N+](=O)[O-])cc1OC ZINC000003668281 368518453 /nfs/dbraw/zinc/51/84/53/368518453.db2.gz JJDJCBZOUZQCRG-NTMALXAHSA-N 0 0 251.282 3.122 50 5 CGBARN CC(C)Cc1nc(-c2ccc(Cl)c([N+](=O)[O-])c2)no1 ZINC000003882693 368521860 /nfs/dbraw/zinc/52/18/60/368521860.db2.gz DMKYPCDXPKUTEI-UHFFFAOYSA-N 0 0 281.699 3.497 50 5 CGBARN O=[N+]([O-])c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000003877375 368522122 /nfs/dbraw/zinc/52/21/22/368522122.db2.gz RJFWSYMASYLDLB-UHFFFAOYSA-N 0 0 273.248 3.115 50 5 CGBARN O=C(/C=C/c1ccc(F)cc1)Nc1ccccc1[N+](=O)[O-] ZINC000004173279 368535363 /nfs/dbraw/zinc/53/53/63/368535363.db2.gz NXGFARUEKCUGRU-JXMROGBWSA-N 0 0 286.262 3.386 50 5 CGBARN C[C@@H](Nc1ccc([N+](=O)[O-])cn1)c1ccc(F)cc1 ZINC000012781089 368627117 /nfs/dbraw/zinc/62/71/17/368627117.db2.gz TYFCDSYWYUNOLJ-SECBINFHSA-N 0 0 261.256 3.302 50 5 CGBARN CC(=O)c1ccccc1NC(=O)c1cccc([N+](=O)[O-])c1C ZINC000012790861 368628297 /nfs/dbraw/zinc/62/82/97/368628297.db2.gz WZTKMJKFFZQIJH-UHFFFAOYSA-N 0 0 298.298 3.358 50 5 CGBARN Cc1cccc(CNC(=O)c2cccc(C)c2[N+](=O)[O-])c1 ZINC000012986408 368638849 /nfs/dbraw/zinc/63/88/49/368638849.db2.gz JAZUMZPUENDQHH-UHFFFAOYSA-N 0 0 284.315 3.142 50 5 CGBARN C[C@@H](c1cccs1)N(C)c1ccc([N+](=O)[O-])cn1 ZINC000013012933 368640659 /nfs/dbraw/zinc/64/06/59/368640659.db2.gz PZSURUXFGSULAG-VIFPVBQESA-N 0 0 263.322 3.249 50 5 CGBARN Cc1nn(C)c(N[C@H](C)c2ccccc2C)c1[N+](=O)[O-] ZINC000047331224 369312909 /nfs/dbraw/zinc/31/29/09/369312909.db2.gz JWEADXZNMNAXIK-SNVBAGLBSA-N 0 0 274.324 3.118 50 5 CGBARN C[C@H](O)c1ccc(CNc2ccc([N+](=O)[O-])cc2F)cc1 ZINC000053584501 369485060 /nfs/dbraw/zinc/48/50/60/369485060.db2.gz RCTUBBQKJODSFB-JTQLQIEISA-N 0 0 290.294 3.399 50 5 CGBARN CC(C)(NC(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000058030248 369553344 /nfs/dbraw/zinc/55/33/44/369553344.db2.gz DULFDHNXUKUWAY-UHFFFAOYSA-N 0 0 298.342 3.189 50 5 CGBARN CCCOc1cc(NC)c([N+](=O)[O-])cc1Br ZINC000074934292 369891602 /nfs/dbraw/zinc/89/16/02/369891602.db2.gz NYYVMSMXUAAYKO-UHFFFAOYSA-N 0 0 289.129 3.188 50 5 CGBARN O=[N+]([O-])c1cccc(OC(F)(F)Cl)c1Cl ZINC000095215571 370178203 /nfs/dbraw/zinc/17/82/03/370178203.db2.gz RVDLDYAROKXZRX-UHFFFAOYSA-N 0 0 258.007 3.416 50 5 CGBARN Cn1nccc1/C=C/c1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000184766949 374556262 /nfs/dbraw/zinc/55/62/62/374556262.db2.gz DJVVZRXMVZTICE-SNAWJCMRSA-N 0 0 280.287 3.047 50 5 CGBARN Cc1c(Br)ccc([N+](=O)[O-])c1OC(F)F ZINC000263625369 190071094 /nfs/dbraw/zinc/07/10/94/190071094.db2.gz ZGZLIJQDHZNXAV-UHFFFAOYSA-N 0 0 282.040 3.267 50 5 CGBARN C[C@H](O)c1nc2ccccc2n1Cc1ccc([N+](=O)[O-])cc1 ZINC000000035132 169511734 /nfs/dbraw/zinc/51/17/34/169511734.db2.gz NEKZQKXSBLZIRT-NSHDSACASA-N 0 0 297.314 3.046 50 5 CGBARN CCCN(CCC)C(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000000284809 169597163 /nfs/dbraw/zinc/59/71/63/169597163.db2.gz DBKFJQQHSAZFFV-UHFFFAOYSA-N 0 0 264.325 3.165 50 5 CGBARN CCC[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000000456137 169645028 /nfs/dbraw/zinc/64/50/28/169645028.db2.gz AFFCTHJLKPOUMM-SECBINFHSA-N 0 0 250.298 3.278 50 5 CGBARN O=[N+]([O-])c1ccc(OC(Cl)(Cl)Cl)cc1F ZINC000095215497 285137545 /nfs/dbraw/zinc/13/75/45/285137545.db2.gz PGWVORZYNAJODA-UHFFFAOYSA-N 0 0 274.462 3.440 50 5 CGBARN O=c1oc2ccccc2cc1-c1ccc([N+](=O)[O-])cc1 ZINC000000058020 285229350 /nfs/dbraw/zinc/22/93/50/285229350.db2.gz GATDYELJYSMQPH-UHFFFAOYSA-N 0 0 267.240 3.368 50 5 CGBARN O=[N+]([O-])c1cc(OC(F)F)ccc1C(F)(F)F ZINC000095215685 184947298 /nfs/dbraw/zinc/94/72/98/184947298.db2.gz GVXBMRAPMUUKPQ-UHFFFAOYSA-N 0 0 257.114 3.215 50 5 CGBARN COc1ccc(C(=O)N2[C@H](C)CCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000012406942 286284839 /nfs/dbraw/zinc/28/48/39/286284839.db2.gz PZNYTOIGWDZUJP-PHIMTYICSA-N 0 0 292.335 3.007 50 5 CGBARN C[C@@H]1CCCCN1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000004776697 170015599 /nfs/dbraw/zinc/01/55/99/170015599.db2.gz YSBCQYOQISUINO-SNVBAGLBSA-N 0 0 263.297 3.001 50 5 CGBARN O=C(Nc1ccccc1[N+](=O)[O-])C1=Cc2ccccc2OC1 ZINC000005034230 170058912 /nfs/dbraw/zinc/05/89/12/170058912.db2.gz RWSQLDXTSXATJO-UHFFFAOYSA-N 0 0 296.282 3.009 50 5 CGBARN Cc1ccc(CN(C)C(=O)c2ccc([N+](=O)[O-])c(C)c2)o1 ZINC000005173033 170073438 /nfs/dbraw/zinc/07/34/38/170073438.db2.gz FJJMRDFEDMKXSB-UHFFFAOYSA-N 0 0 288.303 3.077 50 5 CGBARN Cc1ccc(NC(=O)c2cccs2)c([N+](=O)[O-])c1 ZINC000005362827 170089510 /nfs/dbraw/zinc/08/95/10/170089510.db2.gz WOBDFLDKBWLRGK-UHFFFAOYSA-N 0 0 262.290 3.217 50 5 CGBARN O=C(COc1cccc([N+](=O)[O-])c1)c1c[nH]c2ccccc21 ZINC000006546172 170212304 /nfs/dbraw/zinc/21/23/04/170212304.db2.gz QGQYOYBOXUWYDZ-UHFFFAOYSA-N 0 0 296.282 3.338 50 5 CGBARN Cc1ccccc1CNc1nc2sccn2c1[N+](=O)[O-] ZINC000008337448 170331898 /nfs/dbraw/zinc/33/18/98/170331898.db2.gz RFMADEJGCVDMMD-UHFFFAOYSA-N 0 0 288.332 3.225 50 5 CGBARN CNc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(F)cc1 ZINC000009118828 170364381 /nfs/dbraw/zinc/36/43/81/170364381.db2.gz JTQMOCZTNMADAF-UHFFFAOYSA-N 0 0 289.266 3.028 50 5 CGBARN CC(C)CNc1ccc(Br)cc1[N+](=O)[O-] ZINC000020564198 171253041 /nfs/dbraw/zinc/25/30/41/171253041.db2.gz BLEICSXGBOWIBD-UHFFFAOYSA-N 0 0 273.130 3.425 50 5 CGBARN CC(C)[C@H](Nc1ncc([N+](=O)[O-])cc1Cl)c1ncc[nH]1 ZINC000285692295 196368241 /nfs/dbraw/zinc/36/82/41/196368241.db2.gz QRXIXIBWPULUHZ-JTQLQIEISA-N 0 0 295.730 3.176 50 5 CGBARN CC(=O)Nc1ccc(/C=C/c2ccc(N)cc2[N+](=O)[O-])cc1 ZINC000071771398 176262557 /nfs/dbraw/zinc/26/25/57/176262557.db2.gz ZNYWAXOKXSRFIT-GORDUTHDSA-N 0 0 297.314 3.306 50 5 CGBARN O=[N+]([O-])c1ccc(C2=NN[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000000446304 275035106 /nfs/dbraw/zinc/03/51/06/275035106.db2.gz PRKXTZZCVZYYQE-CQSZACIVSA-N 0 0 285.278 3.173 50 5 CGBARN CC(C)(C)NC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000261494465 277171743 /nfs/dbraw/zinc/17/17/43/277171743.db2.gz YGOAHFXXUNZCBW-UHFFFAOYSA-N 0 0 290.241 3.142 50 5 CGBARN CC(C)(C)NC(=O)c1cc2c(ccc3ccccc32)oc1=O ZINC000000337613 277171810 /nfs/dbraw/zinc/17/18/10/277171810.db2.gz XQCOCXOGZKRCSH-UHFFFAOYSA-N 0 0 295.338 3.475 50 5 CGBARN Cc1c2cc(Br)ccc2ncc1[N+](=O)[O-] ZINC000072204046 280260868 /nfs/dbraw/zinc/26/08/68/280260868.db2.gz MYJZQOHLSJFXDS-UHFFFAOYSA-N 0 0 267.082 3.214 50 5 CGBARN Cc1cc(Br)c(Cl)cc1[N+](=O)[O-] ZINC000089157459 280306485 /nfs/dbraw/zinc/30/64/85/280306485.db2.gz TZHVMSQOHKXEFX-UHFFFAOYSA-N 0 0 250.479 3.319 50 5 CGBARN O=c1oc2ccccc2c(Nc2ccccc2)c1[N+](=O)[O-] ZINC000017122499 280396991 /nfs/dbraw/zinc/39/69/91/280396991.db2.gz PUDUMDVYKGGXBP-UHFFFAOYSA-N 0 0 282.255 3.445 50 5 CGBARN Cc1cccc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1C ZINC000005548653 281224014 /nfs/dbraw/zinc/22/40/14/281224014.db2.gz ZJMWIVGAKMCORX-UHFFFAOYSA-N 0 0 296.282 3.012 50 5 CGBARN Cc1cc(C)c(N2C(=O)c3ccccc3C2=O)c([N+](=O)[O-])c1 ZINC000004989619 301184262 /nfs/dbraw/zinc/18/42/62/301184262.db2.gz PQNAPEHMYOBUBF-UHFFFAOYSA-N 0 0 296.282 3.012 50 5 CGBARN COc1ccc(-c2cc([N+](=O)[O-])ccc2F)cc1C=O ZINC000725242447 570254730 /nfs/dbraw/zinc/25/47/30/570254730.db2.gz GFOVGOFXRMBBOH-UHFFFAOYSA-N 0 0 275.235 3.222 50 5 CGBARN O=[N+]([O-])c1ccc(F)cc1OCc1nc2ccccc2o1 ZINC000008313621 230370419 /nfs/dbraw/zinc/37/04/19/230370419.db2.gz QNUWCHZYPXCLAU-UHFFFAOYSA-N 0 0 288.234 3.454 50 5 CGBARN Cc1ccc(-n2ncc3ccc([N+](=O)[O-])cc32)cc1 ZINC000000086216 230365670 /nfs/dbraw/zinc/36/56/70/230365670.db2.gz BZTDESDYMFIPLI-UHFFFAOYSA-N 0 0 253.261 3.242 50 5 CGBARN O=C(NCc1ccccc1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000127714642 187327875 /nfs/dbraw/zinc/32/78/75/187327875.db2.gz SODLEYOBIIOAHV-UHFFFAOYSA-N 0 0 290.706 3.178 50 5 CGBARN O=C(c1cccc([N+](=O)[O-])c1)c1ccnc2ccccc21 ZINC000083312214 178380156 /nfs/dbraw/zinc/38/01/56/178380156.db2.gz CQRBCTCZUGTDTF-UHFFFAOYSA-N 0 0 278.267 3.374 50 5 CGBARN CC(C)(C)c1cc(Br)c([N+](=O)[O-])cc1O ZINC000088259927 345758517 /nfs/dbraw/zinc/75/85/17/345758517.db2.gz DSCBCIRZXMTSFV-UHFFFAOYSA-N 0 0 274.114 3.360 50 5 CGBARN O=[N+]([O-])[C@H]1C[C@@H]1c1ccc(OCc2ccccc2)cc1 ZINC000095836973 345900731 /nfs/dbraw/zinc/90/07/31/345900731.db2.gz YFNSKRWAVGCAHS-CVEARBPZSA-N 0 0 269.300 3.398 50 5 CGBARN COC(=O)c1cc(-c2ccccc2C)cc([N+](=O)[O-])c1 ZINC000097757232 185662232 /nfs/dbraw/zinc/66/22/32/185662232.db2.gz FVZBMPBXXUQNOP-UHFFFAOYSA-N 0 0 271.272 3.357 50 5 CGBARN CCc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000000224768 368319272 /nfs/dbraw/zinc/31/92/72/368319272.db2.gz GDVDYGUSMJEILP-UHFFFAOYSA-N 0 0 270.288 3.410 50 5 CGBARN N=C1Cc2ccccc2CN1c1cccc([N+](=O)[O-])c1 ZINC000000139600 368299724 /nfs/dbraw/zinc/29/97/24/368299724.db2.gz XCHKMDGEYYYCHT-UHFFFAOYSA-N 0 0 267.288 3.135 50 5 CGBARN CC(C)(C)C(=O)CC(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000000185497 368312083 /nfs/dbraw/zinc/31/20/83/368312083.db2.gz HJVPUVSOKRKPPC-UHFFFAOYSA-N 0 0 298.726 3.192 50 5 CGBARN CCC[C@@H](C)NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000442527 368367674 /nfs/dbraw/zinc/36/76/74/368367674.db2.gz IDBHBTVHFSBSBP-MRVPVSSYSA-N 0 0 270.716 3.167 50 5 CGBARN Cc1cc2ncn(C(=O)c3ccc([N+](=O)[O-])cc3)c2cc1C ZINC000000442364 368367831 /nfs/dbraw/zinc/36/78/31/368367831.db2.gz QAHIDGZDTAQBDO-UHFFFAOYSA-N 0 0 295.298 3.250 50 5 CGBARN Cc1ccc(CNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1 ZINC000000452093 368369455 /nfs/dbraw/zinc/36/94/55/368369455.db2.gz VOKDQXNVICPDEJ-DHZHZOJOSA-N 0 0 296.326 3.233 50 5 CGBARN Nc1cc(Oc2ccc(F)cc2F)cc([N+](=O)[O-])c1 ZINC000000265776 368328146 /nfs/dbraw/zinc/32/81/46/368328146.db2.gz GKLDSHJWEFVOCI-UHFFFAOYSA-N 0 0 266.203 3.248 50 5 CGBARN CC[C@@H](Cc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000000271390 368329407 /nfs/dbraw/zinc/32/94/07/368329407.db2.gz PJMHKAXZMPCQNC-HNNXBMFYSA-N 0 0 298.342 3.346 50 5 CGBARN CCC(CC)NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000000456499 368371270 /nfs/dbraw/zinc/37/12/70/368371270.db2.gz RMYALZYEOHJWEE-UHFFFAOYSA-N 0 0 270.716 3.167 50 5 CGBARN CCc1ccccc1NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000000283130 368331764 /nfs/dbraw/zinc/33/17/64/368331764.db2.gz MXRRDSFRCWYASK-UHFFFAOYSA-N 0 0 284.315 3.338 50 5 CGBARN CCc1cccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC000000460455 368372219 /nfs/dbraw/zinc/37/22/19/368372219.db2.gz BSCVPHMFPNAWOK-UHFFFAOYSA-N 0 0 284.315 3.338 50 5 CGBARN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccccc1F ZINC000000433717 368365328 /nfs/dbraw/zinc/36/53/28/368365328.db2.gz HBLPFSAKIBMMRW-JXMROGBWSA-N 0 0 286.262 3.386 50 5 CGBARN O=[N+]([O-])c1ccc(COc2ccc(CO)cc2Cl)cc1 ZINC000000473709 368375399 /nfs/dbraw/zinc/37/53/99/368375399.db2.gz ZJEMQJCFKBZZAW-UHFFFAOYSA-N 0 0 293.706 3.320 50 5 CGBARN O=C(NCc1cccs1)c1ccc([N+](=O)[O-])cc1Cl ZINC000000474279 368375484 /nfs/dbraw/zinc/37/54/84/368375484.db2.gz MYPRHMBYKCMVNA-UHFFFAOYSA-N 0 0 296.735 3.240 50 5 CGBARN O=C(/C=C/c1ccco1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000588488 368391312 /nfs/dbraw/zinc/39/13/12/368391312.db2.gz USXGFBMWBVXKIZ-GQCTYLIASA-N 0 0 292.678 3.493 50 5 CGBARN CC(C)(C)c1cc(NC(=O)c2cccc([N+](=O)[O-])c2)no1 ZINC000001054209 368401421 /nfs/dbraw/zinc/40/14/21/368401421.db2.gz WQPXBACBBSRAAI-UHFFFAOYSA-N 0 0 289.291 3.133 50 5 CGBARN O=C1O[C@@H](C(=CNc2ccccc2)[N+](=O)[O-])c2ccccc21 ZINC000001391074 368410287 /nfs/dbraw/zinc/41/02/87/368410287.db2.gz NAJAMOYLTWUAJF-YVGNARHYSA-N 0 0 296.282 3.128 50 5 CGBARN O=C(Nc1ccccc1)OCc1ccc([N+](=O)[O-])cc1 ZINC000002164981 368448645 /nfs/dbraw/zinc/44/86/45/368448645.db2.gz GBPNLOVPSNSXQF-UHFFFAOYSA-N 0 0 272.260 3.344 50 5 CGBARN CC(=O)Oc1ccc2c(c1)Cc1cc([N+](=O)[O-])ccc1-2 ZINC000001690479 368431789 /nfs/dbraw/zinc/43/17/89/368431789.db2.gz RBLZCCSHIDZNII-UHFFFAOYSA-N 0 0 269.256 3.091 50 5 CGBARN CC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000003294591 368500885 /nfs/dbraw/zinc/50/08/85/368500885.db2.gz QFTKDGUBCGPCME-UHFFFAOYSA-N 0 0 284.271 3.050 50 5 CGBARN O=[N+]([O-])c1ccc(Nc2ncnc3ccccc32)cc1 ZINC000003902700 368523817 /nfs/dbraw/zinc/52/38/17/368523817.db2.gz PRIPWJUHQFRNDG-UHFFFAOYSA-N 0 0 266.260 3.282 50 5 CGBARN Cc1cc([N+](=O)[O-])ccc1NC(=O)NCc1ccccc1 ZINC000004583104 368552007 /nfs/dbraw/zinc/55/20/07/368552007.db2.gz SUKKGBMHEPZKLA-UHFFFAOYSA-N 0 0 285.303 3.225 50 5 CGBARN O=C(CCc1ccccc1)Nc1cccc([N+](=O)[O-])c1 ZINC000004602541 368553214 /nfs/dbraw/zinc/55/32/14/368553214.db2.gz SRFQIDSDNDEYGS-UHFFFAOYSA-N 0 0 270.288 3.166 50 5 CGBARN C[C@@H]1C[C@H](C)CN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000015856478 368703213 /nfs/dbraw/zinc/70/32/13/368703213.db2.gz WEBWUBDICLBMLX-VNTREEHLSA-N 0 0 288.347 3.113 50 5 CGBARN C[C@]12CCCCC1=N[C@@H](c1ccc([N+](=O)[O-])cc1)N2O ZINC000019606421 368758816 /nfs/dbraw/zinc/75/88/16/368758816.db2.gz RJFKUDLDCYFOQT-KGLIPLIRSA-N 0 0 275.308 3.072 50 5 CGBARN COc1ccc([C@@H]2CCCN2c2ccc([N+](=O)[O-])cn2)cc1 ZINC000022804762 368812274 /nfs/dbraw/zinc/81/22/74/368812274.db2.gz WZSCECTXUNIICU-HNNXBMFYSA-N 0 0 299.330 3.340 50 5 CGBARN C[C@@H](O)c1ccc(CNc2ccc([N+](=O)[O-])cc2F)cc1 ZINC000053584502 369485391 /nfs/dbraw/zinc/48/53/91/369485391.db2.gz RCTUBBQKJODSFB-SNVBAGLBSA-N 0 0 290.294 3.399 50 5 CGBARN Cc1cnccc1NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000069515828 369762106 /nfs/dbraw/zinc/76/21/06/369762106.db2.gz VFBAKUQGTQZCRK-UHFFFAOYSA-N 0 0 291.694 3.204 50 5 CGBARN C[C@@]1(CO)CCC[C@H]1Nc1ccc([N+](=O)[O-])cc1Cl ZINC000076061023 369927565 /nfs/dbraw/zinc/92/75/65/369927565.db2.gz QLEPDXUDPMKCLX-OLZOCXBDSA-N 0 0 284.743 3.211 50 5 CGBARN O=[N+]([O-])c1c(OC(F)F)cccc1C(F)(F)F ZINC000095215506 370177539 /nfs/dbraw/zinc/17/75/39/370177539.db2.gz KEXHMBCWWDTVNJ-UHFFFAOYSA-N 0 0 257.114 3.215 50 5 CGBARN O=C(Nc1ccncc1F)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000097082709 370222565 /nfs/dbraw/zinc/22/25/65/370222565.db2.gz ZJPSMKPSWGINFR-UHFFFAOYSA-N 0 0 295.657 3.035 50 5 CGBARN O=C(Nc1ccc(Cl)cc1)Nc1ccc([N+](=O)[O-])cn1 ZINC000071405109 284300606 /nfs/dbraw/zinc/30/06/06/284300606.db2.gz NFTUWVYXQIPKAA-UHFFFAOYSA-N 0 0 292.682 3.287 50 5 CGBARN O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)c1ccco1 ZINC000003213887 284425910 /nfs/dbraw/zinc/42/59/10/284425910.db2.gz YYAYRDHIHZRYSE-UHFFFAOYSA-N 0 0 289.272 3.050 50 5 CGBARN CCCCCNc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000081588982 541926081 /nfs/dbraw/zinc/92/60/81/541926081.db2.gz PRYZJYQYLNNNCA-UHFFFAOYSA-N 0 0 260.297 3.140 50 5 CGBARN O=[N+]([O-])c1cc2cnn(Cc3cccnc3)c2c(Cl)c1 ZINC000225578879 376316609 /nfs/dbraw/zinc/31/66/09/376316609.db2.gz ZHHYJIRPGKBTJB-UHFFFAOYSA-N 0 0 288.694 3.041 50 5 CGBARN O=[N+]([O-])c1cccc(OC(F)F)c1OC(F)(F)F ZINC000263624664 190071204 /nfs/dbraw/zinc/07/12/04/190071204.db2.gz SLSHUPCZXPXTCY-UHFFFAOYSA-N 0 0 273.113 3.095 50 5 CGBARN O=[N+]([O-])c1cccc(-c2noc(CCc3ccccc3)n2)c1 ZINC000000085442 169531049 /nfs/dbraw/zinc/53/10/49/169531049.db2.gz YVPDFWGUWBVCBF-UHFFFAOYSA-N 0 0 295.298 3.430 50 5 CGBARN Cc1cccc2nc(-c3cccc([N+](=O)[O-])c3)oc(=O)c12 ZINC000000081348 169529457 /nfs/dbraw/zinc/52/94/57/169529457.db2.gz JKGJOOSTPLDFAJ-UHFFFAOYSA-N 0 0 282.255 3.072 50 5 CGBARN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)C1CC1 ZINC000000180472 169565956 /nfs/dbraw/zinc/56/59/56/169565956.db2.gz RKQDYYVNSLKFON-UHFFFAOYSA-N 0 0 289.316 3.067 50 5 CGBARN CCCN(CCC)C(=O)c1cccc([N+](=O)[O-])c1C ZINC000000271429 169593565 /nfs/dbraw/zinc/59/35/65/169593565.db2.gz PFHGPMXOQNXDOS-UHFFFAOYSA-N 0 0 264.325 3.165 50 5 CGBARN O=[N+]([O-])c1ccc(Oc2c(F)c(F)nc(F)c2F)cc1 ZINC000000186892 285137917 /nfs/dbraw/zinc/13/79/17/285137917.db2.gz JUOVJSFJOBRSEL-UHFFFAOYSA-N 0 0 288.156 3.339 50 5 CGBARN O=c1c2ccccc2sc2ccc(Cl)cc2c1=O ZINC000000347367 285213986 /nfs/dbraw/zinc/21/39/86/285213986.db2.gz DVOSCNQSSWMHAE-UHFFFAOYSA-N 0 0 274.728 3.428 50 5 CGBARN CC(=O)N(C)c1ccccc1NCc1cccc([N+](=O)[O-])c1 ZINC000096427552 392254118 /nfs/dbraw/zinc/25/41/18/392254118.db2.gz ZSBUZRLUZYJSJI-UHFFFAOYSA-N 0 0 299.330 3.190 50 5 CGBARN Cc1ccc(/N=c2\ssnc2Cl)c([N+](=O)[O-])c1 ZINC000004602268 292042315 /nfs/dbraw/zinc/04/23/15/292042315.db2.gz DBKPREURWJCNFH-LUAWRHEFSA-N 0 0 287.753 3.307 50 5 CGBARN CCCCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000002972131 169846356 /nfs/dbraw/zinc/84/63/56/169846356.db2.gz BBQFZSJUBHFDDA-UHFFFAOYSA-N 0 0 256.689 3.377 50 5 CGBARN O=C(OCc1ccc([N+](=O)[O-])cc1)c1cccnc1Cl ZINC000003317220 169878329 /nfs/dbraw/zinc/87/83/29/169878329.db2.gz JLOHEDJSVVGQKI-UHFFFAOYSA-N 0 0 292.678 3.000 50 5 CGBARN O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCC1CC1 ZINC000004300342 169955608 /nfs/dbraw/zinc/95/56/08/169955608.db2.gz DOZXGGLGDWVNIX-UHFFFAOYSA-N 0 0 260.215 3.436 50 5 CGBARN O=C(NCCCCc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000006338967 170193661 /nfs/dbraw/zinc/19/36/61/170193661.db2.gz GMPFHDUVMVUSIY-UHFFFAOYSA-N 0 0 298.342 3.348 50 5 CGBARN O=c1cc(-c2ccccc2)nc(-c2ccc([N+](=O)[O-])cc2)[nH]1 ZINC000008691857 170345770 /nfs/dbraw/zinc/34/57/70/170345770.db2.gz DDYDZJBDILAXQQ-UHFFFAOYSA-N 0 0 293.282 3.012 50 5 CGBARN O=C(NCc1ccc(Cl)cc1)c1ccccc1[N+](=O)[O-] ZINC000010109366 170397486 /nfs/dbraw/zinc/39/74/86/170397486.db2.gz BYDQXNVKKCWLIT-UHFFFAOYSA-N 0 0 290.706 3.178 50 5 CGBARN O=C(NC(C1CC1)C1CC1)c1ccc([N+](=O)[O-])cc1Cl ZINC000012819278 170513156 /nfs/dbraw/zinc/51/31/56/170513156.db2.gz SXVDPUDFLHUIGA-UHFFFAOYSA-N 0 0 294.738 3.167 50 5 CGBARN Cc1occc1C(=O)N(C)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000024981008 171445615 /nfs/dbraw/zinc/44/56/15/171445615.db2.gz SQPQIHGQEFLXDN-SNVBAGLBSA-N 0 0 288.303 3.329 50 5 CGBARN O=[N+]([O-])c1ccc2nc(N3CCCCC3)sc2c1 ZINC000000066686 275038881 /nfs/dbraw/zinc/03/88/81/275038881.db2.gz PLSZRVGIOIGRNA-UHFFFAOYSA-N 0 0 263.322 3.195 50 5 CGBARN O=c1sc2ccccc2n1Cc1ccccc1[N+](=O)[O-] ZINC000006528718 275044456 /nfs/dbraw/zinc/04/44/56/275044456.db2.gz TWKYMWHKMXRBCH-UHFFFAOYSA-N 0 0 286.312 3.020 50 5 CGBARN CCOC(=O)c1sc(-c2ccc([N+](=O)[O-])cc2)nc1C ZINC000004090408 276304832 /nfs/dbraw/zinc/30/48/32/276304832.db2.gz YRVCNCOSVJJZKK-UHFFFAOYSA-N 0 0 292.316 3.203 50 5 CGBARN COc1cc(Br)c(Cl)cc1[N+](=O)[O-] ZINC000085476975 277366797 /nfs/dbraw/zinc/36/67/97/277366797.db2.gz KVUZPSBQIMNNOA-UHFFFAOYSA-N 0 0 266.478 3.019 50 5 CGBARN CC[C@@H]1CCCCN1C(=O)c1noc(C(C)C)c1[N+](=O)[O-] ZINC000004937550 280247373 /nfs/dbraw/zinc/24/73/73/280247373.db2.gz LGXHHIMDVJPIKT-SNVBAGLBSA-N 0 0 295.339 3.111 50 5 CGBARN Cn1nccc1/C=C\c1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000547438065 288961530 /nfs/dbraw/zinc/96/15/30/288961530.db2.gz DJVVZRXMVZTICE-PLNGDYQASA-N 0 0 280.287 3.047 50 5 CGBARN O=[N+]([O-])c1cccc(CNc2ccc(F)c(F)c2)c1 ZINC000000280232 327636747 /nfs/dbraw/zinc/63/67/47/327636747.db2.gz QGAKVDDRGAZJAN-UHFFFAOYSA-N 0 0 264.231 3.485 50 5 CGBARN COc1ccc(N(C#N)Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000390833239 329529502 /nfs/dbraw/zinc/52/95/02/329529502.db2.gz DYYCDJKSLUJCHM-UHFFFAOYSA-N 0 0 283.287 3.091 50 5 CGBARN Cc1nc(N[C@H](C)CC[C@@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000096472188 534496683 /nfs/dbraw/zinc/49/66/83/534496683.db2.gz OHHLBMPDNXQEHD-PWSUYJOCSA-N 0 0 279.340 3.058 50 5 CGBARN CNc1ccc(/C=C2/C(=O)Oc3ccccc32)cc1[N+](=O)[O-] ZINC000095392553 640810880 /nfs/dbraw/zinc/81/08/80/640810880.db2.gz QXVGIWNQPLBJDI-XYOKQWHBSA-N 0 0 296.282 3.096 50 5 CGBARN O=[N+]([O-])[C@@]1(Br)CCC[C@@H](C(F)(F)F)C1 ZINC000958528118 640826883 /nfs/dbraw/zinc/82/68/83/640826883.db2.gz JUZVZGCZILIHFA-RITPCOANSA-N 0 0 276.052 3.107 50 5 CGBARN O=[N+]([O-])c1cccc(-c2nnc(-c3cccc(F)c3)o2)c1 ZINC000000276078 640921354 /nfs/dbraw/zinc/92/13/54/640921354.db2.gz SDPFKIIEGUYLGI-UHFFFAOYSA-N 0 0 285.234 3.451 50 5 CGBARN C[C@H]1CC(CCn2ccc(=O)c([N+](=O)[O-])c2)C[C@H](C)C1 ZINC000096468050 230378833 /nfs/dbraw/zinc/37/88/33/230378833.db2.gz MFTNZGJUHJWDAT-VXGBXAGGSA-N 0 0 278.352 3.219 50 5 CGBARN O=C(Nc1ncc([N+](=O)[O-])s1)c1cc2ccccc2o1 ZINC000075260763 345498553 /nfs/dbraw/zinc/49/85/53/345498553.db2.gz GHPKHVUGANYUDD-UHFFFAOYSA-N 0 0 289.272 3.050 50 5 CGBARN CCN(CC)C(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000000117241 368293338 /nfs/dbraw/zinc/29/33/38/368293338.db2.gz ILVGIAUYQCDGEZ-UHFFFAOYSA-N 0 0 288.303 3.337 50 5 CGBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cccs1 ZINC000000240616 368323269 /nfs/dbraw/zinc/32/32/69/368323269.db2.gz UAWSKUQDCFKEEM-UHFFFAOYSA-N 0 0 262.290 3.217 50 5 CGBARN CCC[C@@H](C)NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000000449765 368369251 /nfs/dbraw/zinc/36/92/51/368369251.db2.gz QGWUYHOVFDPGCM-MRVPVSSYSA-N 0 0 270.716 3.167 50 5 CGBARN CC(=O)c1ccc(C)cc1OC(=O)c1ccccc1[N+](=O)[O-] ZINC000000265342 368328049 /nfs/dbraw/zinc/32/80/49/368328049.db2.gz LNWRNYAAOIWLBR-UHFFFAOYSA-N 0 0 299.282 3.325 50 5 CGBARN O=[N+]([O-])c1ccc(CNc2ccc(F)cc2)s1 ZINC000000279786 368331889 /nfs/dbraw/zinc/33/18/89/368331889.db2.gz OTKAUZNJVDGOEB-UHFFFAOYSA-N 0 0 252.270 3.408 50 5 CGBARN COc1ccccc1OC(=O)c1cccc([N+](=O)[O-])c1C ZINC000000303909 368337562 /nfs/dbraw/zinc/33/75/62/368337562.db2.gz CMBAUJJFZRLSON-UHFFFAOYSA-N 0 0 287.271 3.131 50 5 CGBARN CC[C@@H](C)OC(=O)CSc1ccccc1[N+](=O)[O-] ZINC000000460678 368372046 /nfs/dbraw/zinc/37/20/46/368372046.db2.gz YKUWEINLKZCLDF-SECBINFHSA-N 0 0 269.322 3.029 50 5 CGBARN Cc1cccc(C(=O)Nc2cccc(F)c2)c1[N+](=O)[O-] ZINC000000463246 368372116 /nfs/dbraw/zinc/37/21/16/368372116.db2.gz RIVJOJDSWHNGSP-UHFFFAOYSA-N 0 0 274.251 3.295 50 5 CGBARN COc1ccc(-c2ccccc2[N+](=O)[O-])c(OC)c1 ZINC000000344455 368344899 /nfs/dbraw/zinc/34/48/99/368344899.db2.gz WKHVAQKNKVBRON-UHFFFAOYSA-N 0 0 259.261 3.279 50 5 CGBARN O=C(Oc1ccccc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000000363071 368348825 /nfs/dbraw/zinc/34/88/25/368348825.db2.gz GSFICNLFXVMHBP-UHFFFAOYSA-N 0 0 277.663 3.467 50 5 CGBARN CC(C)CN(CC(C)C)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000001599305 368422019 /nfs/dbraw/zinc/42/20/19/368422019.db2.gz ZBKDSVUUADGUBH-UHFFFAOYSA-N 0 0 278.352 3.349 50 5 CGBARN Cc1cc(F)ccc1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000001057854 368401411 /nfs/dbraw/zinc/40/14/11/368401411.db2.gz MRKZMYFFSSPOGV-UHFFFAOYSA-N 0 0 274.251 3.295 50 5 CGBARN O=[N+]([O-])c1nn(Cc2ccc(Cl)cc2)cc1Cl ZINC000002526605 368460154 /nfs/dbraw/zinc/46/01/54/368460154.db2.gz ZMMHJENKFLBBRN-UHFFFAOYSA-N 0 0 272.091 3.146 50 5 CGBARN O=C(CCc1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000004011712 368525776 /nfs/dbraw/zinc/52/57/76/368525776.db2.gz PKZADCQYMPQYHD-UHFFFAOYSA-N 0 0 270.288 3.166 50 5 CGBARN O=C(Nc1ccc(F)c(F)c1F)c1cccc([N+](=O)[O-])c1 ZINC000003561407 368513159 /nfs/dbraw/zinc/51/31/59/368513159.db2.gz ZNFQPXBYISOHPP-UHFFFAOYSA-N 0 0 296.204 3.264 50 5 CGBARN O=[N+]([O-])c1ccccc1Nc1ccccc1[N+](=O)[O-] ZINC000003880529 368521692 /nfs/dbraw/zinc/52/16/92/368521692.db2.gz RENCFAVKFWOLJJ-UHFFFAOYSA-N 0 0 259.221 3.247 50 5 CGBARN COc1ccc(NC(=O)c2cccc(C)c2)c([N+](=O)[O-])c1 ZINC000004599462 368552884 /nfs/dbraw/zinc/55/28/84/368552884.db2.gz DERYATQWHUZXTA-UHFFFAOYSA-N 0 0 286.287 3.164 50 5 CGBARN Cc1c(NC(=O)Cc2cccs2)cccc1[N+](=O)[O-] ZINC000004673325 368555562 /nfs/dbraw/zinc/55/55/62/368555562.db2.gz RJTDZTNBGAGFIM-UHFFFAOYSA-N 0 0 276.317 3.146 50 5 CGBARN Cc1cccc(Nc2ccc([N+](=O)[O-])c3nonc32)c1 ZINC000004245013 368538134 /nfs/dbraw/zinc/53/81/34/368538134.db2.gz AERMKZCGOZZNCP-UHFFFAOYSA-N 0 0 270.248 3.183 50 5 CGBARN O=[N+]([O-])c1cccnc1Sc1nc2ccccc2o1 ZINC000004414052 368545678 /nfs/dbraw/zinc/54/56/78/368545678.db2.gz SSGZHRFBQVFZDA-UHFFFAOYSA-N 0 0 273.273 3.282 50 5 CGBARN O=C(/C=C/c1ccc([N+](=O)[O-])o1)OC1CCCCC1 ZINC000004543015 368551009 /nfs/dbraw/zinc/55/10/09/368551009.db2.gz AEIHAAJTSBBBKS-VQHVLOKHSA-N 0 0 265.265 3.077 50 5 CGBARN CC(C)c1ccccc1NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000012598706 368621410 /nfs/dbraw/zinc/62/14/10/368621410.db2.gz NLFVFEKRUHFMGO-UHFFFAOYSA-N 0 0 273.292 3.299 50 5 CGBARN O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1cc(F)ccc1F ZINC000012796877 368628529 /nfs/dbraw/zinc/62/85/29/368628529.db2.gz SBLPCQKKASQWSU-UHFFFAOYSA-N 0 0 296.204 3.264 50 5 CGBARN CCCc1ccccc1NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000024501191 368831720 /nfs/dbraw/zinc/83/17/20/368831720.db2.gz IXTPQKOCKDQCCW-UHFFFAOYSA-N 0 0 274.276 3.393 50 5 CGBARN Cc1cccc([C@H](C)Nc2ccc([N+](=O)[O-])cn2)c1 ZINC000020032897 368794622 /nfs/dbraw/zinc/79/46/22/368794622.db2.gz GMQQKQSWIXABJH-NSHDSACASA-N 0 0 257.293 3.471 50 5 CGBARN CCc1ccc(NC(=O)c2ccco2)cc1[N+](=O)[O-] ZINC000027318286 368869821 /nfs/dbraw/zinc/86/98/21/368869821.db2.gz UGMMLADYLWCTJO-UHFFFAOYSA-N 0 0 260.249 3.003 50 5 CGBARN O=Cc1cccc(Oc2ccc(F)cc2[N+](=O)[O-])c1 ZINC000025369242 368846215 /nfs/dbraw/zinc/84/62/15/368846215.db2.gz JVCIVPAXDWUBPK-UHFFFAOYSA-N 0 0 261.208 3.339 50 5 CGBARN Cc1cccc(C(=O)N(C)[C@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC000025836715 368852818 /nfs/dbraw/zinc/85/28/18/368852818.db2.gz DYCNTPVZWURNGY-GFCCVEGCSA-N 0 0 299.330 3.131 50 5 CGBARN CC(C)N(C(=O)/C=C\c1cccc([N+](=O)[O-])c1)C(C)C ZINC000033285291 368960634 /nfs/dbraw/zinc/96/06/34/368960634.db2.gz DIVHLQIHPPWRRY-HJWRWDBZSA-N 0 0 276.336 3.253 50 5 CGBARN CCc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)o1 ZINC000036398368 369022107 /nfs/dbraw/zinc/02/21/07/369022107.db2.gz COGOINBWUHIERY-UHFFFAOYSA-N 0 0 260.249 3.003 50 5 CGBARN O=[N+]([O-])c1cnccc1NCCCc1ccccc1 ZINC000037719639 369102265 /nfs/dbraw/zinc/10/22/65/369102265.db2.gz CECYQQDHXWLUEV-UHFFFAOYSA-N 0 0 257.293 3.035 50 5 CGBARN COc1ccccc1C[C@H](C)Nc1ccc([N+](=O)[O-])cn1 ZINC000052472308 369469334 /nfs/dbraw/zinc/46/93/34/369469334.db2.gz VCDMGXJQBVNSIS-NSHDSACASA-N 0 0 287.319 3.042 50 5 CGBARN CC(C)c1cc(Br)cc([N+](=O)[O-])c1N ZINC000088611761 370036594 /nfs/dbraw/zinc/03/65/94/370036594.db2.gz PLQCPZLZGMHBKD-UHFFFAOYSA-N 0 0 259.103 3.063 50 5 CGBARN O=[N+]([O-])c1c(F)cccc1OC(Cl)(Cl)Cl ZINC000095215630 370178133 /nfs/dbraw/zinc/17/81/33/370178133.db2.gz PVJOJYAAQRLMGU-UHFFFAOYSA-N 0 0 274.462 3.440 50 5 CGBARN O=[N+]([O-])c1ccccc1N1CCC(Cl)=C(Cl)C1 ZINC000095467536 370198181 /nfs/dbraw/zinc/19/81/81/370198181.db2.gz AFGQLZZXLHGKBY-UHFFFAOYSA-N 0 0 273.119 3.494 50 5 CGBARN Cc1ccnc(N2CCC[C@H](c3ccccn3)C2)c1[N+](=O)[O-] ZINC000521398660 375875179 /nfs/dbraw/zinc/87/51/79/375875179.db2.gz XELMSMRWLCTMBK-ZDUSSCGKSA-N 0 0 298.346 3.077 50 5 CGBARN CCOc1ccc(N2Cc3ccccc3C2=O)c([N+](=O)[O-])c1 ZINC000227174153 376384284 /nfs/dbraw/zinc/38/42/84/376384284.db2.gz QUFRITIRAZMQKG-UHFFFAOYSA-N 0 0 298.298 3.154 50 5 CGBARN O=[N+]([O-])c1c(F)cc(Br)cc1OC(F)F ZINC000263624376 190071229 /nfs/dbraw/zinc/07/12/29/190071229.db2.gz PWDBKXCUKLEEOR-UHFFFAOYSA-N 0 0 286.003 3.098 50 5 CGBARN Cc1cc(C)c2nc3[nH]c(C)cc(C)c-3c(=O)c2c1 ZINC000000241017 291828389 /nfs/dbraw/zinc/82/83/89/291828389.db2.gz BHXHEVPIWKHALT-UHFFFAOYSA-N 0 0 252.317 3.310 50 5 CGBARN COc1cc(NCc2ccoc2C)ccc1[N+](=O)[O-] ZINC000096429225 256787875 /nfs/dbraw/zinc/78/78/75/256787875.db2.gz NAGJZBGIURZWDK-UHFFFAOYSA-N 0 0 262.265 3.117 50 5 CGBARN Cc1ccc(-n2cc3c(cc([N+](=O)[O-])cc3[N+](=O)[O-])n2)cc1 ZINC000002190659 391913215 /nfs/dbraw/zinc/91/32/15/391913215.db2.gz FUUDVFHHUBCDQB-UHFFFAOYSA-N 0 0 298.258 3.150 50 5 CGBARN C[C@H]1CN(C)[C@@H](C)c2c3cc([N+](=O)[O-])ccc3oc21 ZINC000012436518 391930259 /nfs/dbraw/zinc/93/02/59/391930259.db2.gz HAPQZJBJBJVMIZ-IUCAKERBSA-N 0 0 260.293 3.451 50 5 CGBARN Cc1c(Cl)ccc(Br)c1[N+](=O)[O-] ZINC000036532852 391975254 /nfs/dbraw/zinc/97/52/54/391975254.db2.gz RDBOWXCEEGEMBL-UHFFFAOYSA-N 0 0 250.479 3.319 50 5 CGBARN O=[N+]([O-])c1ccc(Cl)nc1N1CCCCCC1 ZINC000036925878 296504847 /nfs/dbraw/zinc/50/48/47/296504847.db2.gz BBVYEOPHSWKAIM-UHFFFAOYSA-N 0 0 255.705 3.024 50 5 CGBARN Cc1ccc(C(=O)N2CCCc3ccccc32)cc1[N+](=O)[O-] ZINC000000101987 292055304 /nfs/dbraw/zinc/05/53/04/292055304.db2.gz CQCAYCUZOMDQSN-UHFFFAOYSA-N 0 0 296.326 3.496 50 5 CGBARN Cc1c(C(=O)N[C@@H]2CCCC[C@H]2C)cccc1[N+](=O)[O-] ZINC000002883233 169841063 /nfs/dbraw/zinc/84/10/63/169841063.db2.gz WCNVQOKKYWGOMY-ZWNOBZJWSA-N 0 0 276.336 3.212 50 5 CGBARN COc1ccc(Nc2nc(Cl)nc(C)c2[N+](=O)[O-])cc1 ZINC000004255588 169949811 /nfs/dbraw/zinc/94/98/11/169949811.db2.gz CDZJTLXDOMDYAN-UHFFFAOYSA-N 0 0 294.698 3.099 50 5 CGBARN CN(Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000004776688 170015336 /nfs/dbraw/zinc/01/53/36/170015336.db2.gz FRZSXHHMIPVJOB-UHFFFAOYSA-N 0 0 285.303 3.259 50 5 CGBARN CCN(CC)C(=O)c1ccc2nc3ccccc3nc2c1 ZINC000004834125 170026486 /nfs/dbraw/zinc/02/64/86/170026486.db2.gz PDNWOCJEXZBGMN-UHFFFAOYSA-N 0 0 279.343 3.265 50 5 CGBARN CCc1ccc(/C=C/C(=O)Nc2ccccc2[N+](=O)[O-])o1 ZINC000005032663 170058771 /nfs/dbraw/zinc/05/87/71/170058771.db2.gz NLLSXUYLLQCRSB-MDZDMXLPSA-N 0 0 286.287 3.402 50 5 CGBARN O=C(Cc1cccs1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000005575362 170115422 /nfs/dbraw/zinc/11/54/22/170115422.db2.gz FPMCAMANKWNFPX-UHFFFAOYSA-N 0 0 296.735 3.491 50 5 CGBARN O=[N+]([O-])c1cccnc1Oc1ccc2c(c1)CCC2 ZINC000007186525 170270330 /nfs/dbraw/zinc/27/03/30/170270330.db2.gz ZGBLGMXPBJRROM-UHFFFAOYSA-N 0 0 256.261 3.271 50 5 CGBARN CCC(=O)c1ccc(Oc2ncccc2[N+](=O)[O-])cc1 ZINC000007185969 170270412 /nfs/dbraw/zinc/27/04/12/170270412.db2.gz JVZJRMRSEHRDFY-UHFFFAOYSA-N 0 0 272.260 3.375 50 5 CGBARN CC(=O)c1ccccc1NC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000009314889 170371483 /nfs/dbraw/zinc/37/14/83/170371483.db2.gz ZZPSWKSMGORRTE-UHFFFAOYSA-N 0 0 298.298 3.358 50 5 CGBARN COc1ccc(OC(=O)c2cccc(C)c2[N+](=O)[O-])cc1 ZINC000020836916 171275397 /nfs/dbraw/zinc/27/53/97/171275397.db2.gz MPXKWVSPPASMDQ-UHFFFAOYSA-N 0 0 287.271 3.131 50 5 CGBARN O=C(Nc1cccc([N+](=O)[O-])c1)c1cc(F)ccc1F ZINC000022590087 171393193 /nfs/dbraw/zinc/39/31/93/171393193.db2.gz ZTIVKNWYMPFWNK-UHFFFAOYSA-N 0 0 278.214 3.125 50 5 CGBARN C[C@@H](Nc1ncccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000024107035 171432133 /nfs/dbraw/zinc/43/21/33/171432133.db2.gz DAOYGDOHOCGFMB-SECBINFHSA-N 0 0 261.256 3.302 50 5 CGBARN CCOc1cc([N+](=O)[O-])ccc1N1Cc2ccccc2C1=N ZINC000028115902 171548422 /nfs/dbraw/zinc/54/84/22/171548422.db2.gz AHIXZVOHUBVIBN-UHFFFAOYSA-N 0 0 297.314 3.339 50 5 CGBARN O=[N+]([O-])c1cc(CN2CCCCC2)ccc1Cl ZINC000037403736 173180280 /nfs/dbraw/zinc/18/02/80/173180280.db2.gz WAISOIXTMOUHQM-UHFFFAOYSA-N 0 0 254.717 3.234 50 5 CGBARN C[C@H](C1CC1)N(C(=O)Nc1ccccc1[N+](=O)[O-])C1CC1 ZINC000040150049 174195164 /nfs/dbraw/zinc/19/51/64/174195164.db2.gz XNKSAFXXNIRYIJ-SNVBAGLBSA-N 0 0 289.335 3.390 50 5 CGBARN CCNc1cc(OCC)c(Br)cc1[N+](=O)[O-] ZINC000065336888 175709422 /nfs/dbraw/zinc/70/94/22/175709422.db2.gz GVTPMIRSLYSXIV-UHFFFAOYSA-N 0 0 289.129 3.188 50 5 CGBARN COc1ccc2cc(-c3ccc([N+](=O)[O-])cc3)c(=O)oc2c1 ZINC000000528246 274141309 /nfs/dbraw/zinc/14/13/09/274141309.db2.gz ZIXLQPRJKRBVHF-UHFFFAOYSA-N 0 0 297.266 3.377 50 5 CGBARN O=[N+]([O-])c1cc2[nH]c(-c3cccnc3)cc2c([N+](=O)[O-])c1 ZINC000002100392 275033991 /nfs/dbraw/zinc/03/39/91/275033991.db2.gz YWCCDRDPLMVRAZ-UHFFFAOYSA-N 0 0 284.231 3.046 50 5 CGBARN CC(=O)O[C@@H]1c2ccccc2-c2cc([N+](=O)[O-])ccc21 ZINC000001716260 275498530 /nfs/dbraw/zinc/49/85/30/275498530.db2.gz WZQYOADNXLOMIA-OAHLLOKOSA-N 0 0 269.256 3.228 50 5 CGBARN CCOc1ccc([N+](=O)[O-])c2c1cccc2[N+](=O)[O-] ZINC000036719680 276376763 /nfs/dbraw/zinc/37/67/63/276376763.db2.gz MXCVHBTUPDNVRW-UHFFFAOYSA-N 0 0 262.221 3.055 50 5 CGBARN CC(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC000016158159 277105968 /nfs/dbraw/zinc/10/59/68/277105968.db2.gz BKFPAPKXZJFNNF-UHFFFAOYSA-N 0 0 252.028 3.243 50 5 CGBARN COc1c(Br)cc(Cl)cc1[N+](=O)[O-] ZINC000022129874 277360919 /nfs/dbraw/zinc/36/09/19/277360919.db2.gz SBXLTJMCTVOQGC-UHFFFAOYSA-N 0 0 266.478 3.019 50 5 CGBARN O=[N+]([O-])c1ccc(Br)cc1C(F)(F)F ZINC000000056814 280362849 /nfs/dbraw/zinc/36/28/49/280362849.db2.gz ZHLYHEDQTJZYFI-UHFFFAOYSA-N 0 0 270.004 3.376 50 5 CGBARN O=[N+]([O-])c1cccnc1N1CCc2[nH]c3ccccc3c2C1 ZINC000048253594 280377013 /nfs/dbraw/zinc/37/70/13/280377013.db2.gz HDAIJNXUHXXVSP-UHFFFAOYSA-N 0 0 294.314 3.034 50 5 CGBARN C[C@@H]1CN(c2ccc(C(F)F)cc2[N+](=O)[O-])CCCO1 ZINC000408518398 288260081 /nfs/dbraw/zinc/26/00/81/288260081.db2.gz FSFFOJGZNBYOHM-SECBINFHSA-N 0 0 286.278 3.148 50 5 CGBARN O=[N+]([O-])c1ccc(CNc2ccc(F)c(F)c2)cc1 ZINC000000280565 327636926 /nfs/dbraw/zinc/63/69/26/327636926.db2.gz ILATUQQOTAEEQI-UHFFFAOYSA-N 0 0 264.231 3.485 50 5 CGBARN Cc1ccc(/C=C/C(=O)OCc2cccc([N+](=O)[O-])c2)o1 ZINC000003407607 525952886 /nfs/dbraw/zinc/95/28/86/525952886.db2.gz KNROVNLOHCVEPZ-BQYQJAHWSA-N 0 0 287.271 3.253 50 5 CGBARN Cc1cc([N+](=O)[O-])cnc1NCc1csc(C(C)C)n1 ZINC000092651112 345849181 /nfs/dbraw/zinc/84/91/81/345849181.db2.gz BDPOCYPNIBTWFW-UHFFFAOYSA-N 0 0 292.364 3.490 50 5 CGBARN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCc1ccco1 ZINC000191366461 189593173 /nfs/dbraw/zinc/59/31/73/189593173.db2.gz LGBHROLKFCJSER-UHFFFAOYSA-N 0 0 289.291 3.126 50 5 CGBARN Cc1nc2n(c1C)-c1ccc([N+](=O)[O-])cc1CS2 ZINC000222377266 189730618 /nfs/dbraw/zinc/73/06/18/189730618.db2.gz NLDDRIKROIOPCO-UHFFFAOYSA-N 0 0 261.306 3.003 50 5 CGBARN Cc1cccc(OC(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000000038544 368274280 /nfs/dbraw/zinc/27/42/80/368274280.db2.gz SKAQTBUOYJZQNX-UHFFFAOYSA-N 0 0 257.245 3.122 50 5 CGBARN O=C(CCNc1cccc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000000059752 368280772 /nfs/dbraw/zinc/28/07/72/368280772.db2.gz ZNWIIHBNDHFYOY-UHFFFAOYSA-N 0 0 288.278 3.419 50 5 CGBARN C[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000000075382 368282927 /nfs/dbraw/zinc/28/29/27/368282927.db2.gz AMZSUPNYNMANGW-LBPRGKRZSA-N 0 0 284.315 3.015 50 5 CGBARN O=C(C[C@H]1OC(=O)c2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000000098451 368287813 /nfs/dbraw/zinc/28/78/13/368287813.db2.gz JWXTXDMDWUPJJA-OAHLLOKOSA-N 0 0 297.266 3.079 50 5 CGBARN COc1ccc(C(=O)c2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000000155727 368305231 /nfs/dbraw/zinc/30/52/31/368305231.db2.gz BBKNLCMVMVDRJA-UHFFFAOYSA-N 0 0 291.690 3.488 50 5 CGBARN COc1ccc2oc(-c3ccccc3[N+](=O)[O-])cc(=O)c2c1 ZINC000000181981 368310576 /nfs/dbraw/zinc/31/05/76/368310576.db2.gz DUAIXDFVGWGRCM-UHFFFAOYSA-N 0 0 297.266 3.377 50 5 biogenic CGBARN C[C@@H](OC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)c1ccccc1 ZINC000000312862 368339900 /nfs/dbraw/zinc/33/99/00/368339900.db2.gz SHVVBQJXZMCDAX-LLVKDONJSA-N 0 0 299.282 3.023 50 5 CGBARN O=[N+]([O-])c1ccc(-c2noc(-c3ccccc3F)n2)cc1 ZINC000000467910 368373288 /nfs/dbraw/zinc/37/32/88/368373288.db2.gz BZGVSFZLJLLFOH-UHFFFAOYSA-N 0 0 285.234 3.451 50 5 CGBARN COc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000000994045 368399044 /nfs/dbraw/zinc/39/90/44/368399044.db2.gz FRAPWQICQSULNY-UHFFFAOYSA-N 0 0 286.287 3.164 50 5 CGBARN CC(=O)COc1cc(C)c2c(c1)oc(=O)c1ccccc12 ZINC000000472465 368374435 /nfs/dbraw/zinc/37/44/35/368374435.db2.gz WRORDMUWAPVGSA-UHFFFAOYSA-N 0 0 282.295 3.222 50 5 biogenic CGBARN CCn1c(C)nc([N+](=O)[O-])c1Sc1ccc(F)cc1 ZINC000000480487 368376880 /nfs/dbraw/zinc/37/68/80/368376880.db2.gz SBIUFAIQRORPGW-UHFFFAOYSA-N 0 0 281.312 3.410 50 5 CGBARN C[C@@H](C(=O)Nc1ccccc1)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000002164958 368449013 /nfs/dbraw/zinc/44/90/13/368449013.db2.gz IQAAIDFAGBSKDA-LLVKDONJSA-N 0 0 298.298 3.052 50 5 CGBARN COc1ccc(-c2nnc(-c3ccccc3[N+](=O)[O-])o2)cc1 ZINC000003152664 368493528 /nfs/dbraw/zinc/49/35/28/368493528.db2.gz BDJAEXMUQMNMAR-UHFFFAOYSA-N 0 0 297.270 3.320 50 5 CGBARN Cc1ccc(C(C)C)c(Oc2ncnc(N)c2[N+](=O)[O-])c1 ZINC000003912714 368524650 /nfs/dbraw/zinc/52/46/50/368524650.db2.gz PAZYAWHDFATAOS-UHFFFAOYSA-N 0 0 288.307 3.191 50 5 CGBARN CNc1ncnc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000004362537 368545008 /nfs/dbraw/zinc/54/50/08/368545008.db2.gz YMYWRDQTMJNXIP-UHFFFAOYSA-N 0 0 296.739 3.231 50 5 CGBARN COc1ccc(C(=O)N(C)C2CCCCC2)cc1[N+](=O)[O-] ZINC000017356748 368731910 /nfs/dbraw/zinc/73/19/10/368731910.db2.gz PJSJFWXAFFVXNN-UHFFFAOYSA-N 0 0 292.335 3.008 50 5 CGBARN O=[N+]([O-])c1ccc(NCc2cccc(Cl)c2)nc1 ZINC000023652375 368822960 /nfs/dbraw/zinc/82/29/60/368822960.db2.gz LFMPMGMOZZZSDX-UHFFFAOYSA-N 0 0 263.684 3.255 50 5 CGBARN COc1ccc(CN(C)c2ccc([N+](=O)[O-])cc2)cc1F ZINC000024585447 368833125 /nfs/dbraw/zinc/83/31/25/368833125.db2.gz CDUHQCGLLYLVOW-UHFFFAOYSA-N 0 0 290.294 3.379 50 5 CGBARN C[C@H](Sc1cccc[n+]1[O-])c1cccc([N+](=O)[O-])c1 ZINC000026592693 368862292 /nfs/dbraw/zinc/86/22/92/368862292.db2.gz HDELJLKBCQFDHU-JTQLQIEISA-N 0 0 276.317 3.082 50 5 CGBARN CCc1ccc(NC(=O)C[C@@H]2C=CCC2)cc1[N+](=O)[O-] ZINC000027313046 368869986 /nfs/dbraw/zinc/86/99/86/368869986.db2.gz UQVZIRPPYRTBAK-LLVKDONJSA-N 0 0 274.320 3.452 50 5 CGBARN O=C(c1noc(-c2ccccc2)c1[N+](=O)[O-])c1ccccc1 ZINC000034581408 368975351 /nfs/dbraw/zinc/97/53/51/368975351.db2.gz PGIBWNZFZHJBIF-UHFFFAOYSA-N 0 0 294.266 3.481 50 5 CGBARN Cc1ccccc1[C@H](C)Nc1ccc([N+](=O)[O-])cn1 ZINC000042316319 369213834 /nfs/dbraw/zinc/21/38/34/369213834.db2.gz JJFKVOZTYOEWCJ-NSHDSACASA-N 0 0 257.293 3.471 50 5 CGBARN CCN(C(=O)c1csc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000058292598 369561986 /nfs/dbraw/zinc/56/19/86/369561986.db2.gz NBBNQILJSWWYRV-UHFFFAOYSA-N 0 0 294.307 3.462 50 5 CGBARN Cc1ccc([N+](=O)[O-])c(N[C@H](C)COCC(F)(F)F)c1 ZINC000088715812 370036796 /nfs/dbraw/zinc/03/67/96/370036796.db2.gz YNSXHGVMGXUNJW-SECBINFHSA-N 0 0 292.257 3.283 50 5 CGBARN CN=[S@](=O)(Oc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000100704725 370281717 /nfs/dbraw/zinc/28/17/17/370281717.db2.gz ZNNXLCYPPCJEQL-HXUWFJFHSA-N 0 0 292.316 3.046 50 5 CGBARN C[C@H]1CCc2nc(N)c3c(c4ccccc4oc3=O)c2C1 ZINC000103571409 370331910 /nfs/dbraw/zinc/33/19/10/370331910.db2.gz YZQNEAUAAMPGIY-VIFPVBQESA-N 0 0 280.327 3.048 50 5 CGBARN O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CCCCC1 ZINC000000189290 284625947 /nfs/dbraw/zinc/62/59/47/284625947.db2.gz PKKSUEDZEGWZIG-UHFFFAOYSA-N 0 0 290.344 3.436 50 5 CGBARN O=C(Oc1cccc2cccnc21)c1ccc([N+](=O)[O-])cc1 ZINC000000059649 169521607 /nfs/dbraw/zinc/52/16/07/169521607.db2.gz SKUDPVZRYOVLEZ-UHFFFAOYSA-N 0 0 294.266 3.362 50 5 CGBARN O=C(C[C@@H]1OC(=O)c2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000000098454 169535276 /nfs/dbraw/zinc/53/52/76/169535276.db2.gz JWXTXDMDWUPJJA-HNNXBMFYSA-N 0 0 297.266 3.079 50 5 CGBARN CN(Cc1ccccc1)C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000000445126 169642528 /nfs/dbraw/zinc/64/25/28/169642528.db2.gz VDESPOCMEYSKBK-FMIVXFBMSA-N 0 0 296.326 3.267 50 5 CGBARN CCC[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000000456138 169645204 /nfs/dbraw/zinc/64/52/04/169645204.db2.gz AFFCTHJLKPOUMM-VIFPVBQESA-N 0 0 250.298 3.278 50 5 CGBARN CCCN(CCC)C(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000000465274 169647777 /nfs/dbraw/zinc/64/77/77/169647777.db2.gz SYIOLJHEAGKXID-UHFFFAOYSA-N 0 0 264.325 3.165 50 5 CGBARN O=c1[nH]c(-c2ccccc2)cc2c3ccccc3oc(=O)c12 ZINC000003025155 285194202 /nfs/dbraw/zinc/19/42/02/285194202.db2.gz VAXKJLXXSYPJCK-UHFFFAOYSA-N 0 0 289.290 3.302 50 5 CGBARN O=[N+]([O-])c1c(F)cccc1NCc1ccc(Cl)cn1 ZINC000302004803 542413830 /nfs/dbraw/zinc/41/38/30/542413830.db2.gz KOCCKTYUDCTUKS-UHFFFAOYSA-N 0 0 281.674 3.394 50 5 CGBARN C[C@H](O)c1ccc(CNc2ccc(F)cc2[N+](=O)[O-])cc1 ZINC000053601900 392086511 /nfs/dbraw/zinc/08/65/11/392086511.db2.gz JTGUKKOAWABARD-JTQLQIEISA-N 0 0 290.294 3.399 50 5 CGBARN O=[N+]([O-])c1cc(Br)c(F)c(Br)c1 ZINC000074937737 296497481 /nfs/dbraw/zinc/49/74/81/296497481.db2.gz TUGFLGHTSGQDQE-UHFFFAOYSA-N 0 0 298.893 3.259 50 5 CGBARN Cc1ccc(-n2ncc3ccccc32)c([N+](=O)[O-])c1 ZINC000239562567 292038300 /nfs/dbraw/zinc/03/83/00/292038300.db2.gz CPVYHMRPGVHAMZ-UHFFFAOYSA-N 0 0 253.261 3.242 50 5 CGBARN C[C@@H](C(=O)N1CCCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000000472188 286749250 /nfs/dbraw/zinc/74/92/50/286749250.db2.gz SWSILUNMROCEHX-GFCCVEGCSA-N 0 0 276.336 3.101 50 5 CGBARN Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=O)C(C)C ZINC000004615096 169990065 /nfs/dbraw/zinc/99/00/65/169990065.db2.gz KQZSOAUOCSMMDU-UHFFFAOYSA-N 0 0 256.689 3.151 50 5 CGBARN Cc1cccc(C(=O)Nc2cc(F)cc(F)c2)c1[N+](=O)[O-] ZINC000004814537 170022143 /nfs/dbraw/zinc/02/21/43/170022143.db2.gz SVOVKKLAIIYFDV-UHFFFAOYSA-N 0 0 292.241 3.434 50 5 CGBARN COc1cccc(CNc2cccc([N+](=O)[O-])c2)c1 ZINC000004856519 170031445 /nfs/dbraw/zinc/03/14/45/170031445.db2.gz YZOGQNMCYOSDKF-UHFFFAOYSA-N 0 0 258.277 3.216 50 5 CGBARN O=[N+]([O-])c1ccc(Cc2nnc(-c3cccs3)o2)cc1 ZINC000004927911 170041978 /nfs/dbraw/zinc/04/19/78/170041978.db2.gz HFLRSMYEJJCNQB-UHFFFAOYSA-N 0 0 287.300 3.297 50 5 CGBARN Cc1nc2cc(NC(=O)c3cccc([N+](=O)[O-])c3)ccc2o1 ZINC000007036579 170263439 /nfs/dbraw/zinc/26/34/39/170263439.db2.gz SIVRQVNESSBALE-UHFFFAOYSA-N 0 0 297.270 3.297 50 5 CGBARN Cc1ccc(NC(=O)/C=C/c2ccc([N+](=O)[O-])o2)cc1 ZINC000007071410 170266567 /nfs/dbraw/zinc/26/65/67/170266567.db2.gz BRZRTQIYTKKVLG-SOFGYWHQSA-N 0 0 272.260 3.148 50 5 CGBARN Cc1cc(C(=O)OCc2ccccc2[N+](=O)[O-])c(C)o1 ZINC000007745297 170300222 /nfs/dbraw/zinc/30/02/22/170300222.db2.gz BIWTXTNKQITMII-UHFFFAOYSA-N 0 0 275.260 3.162 50 5 CGBARN Cc1cc(C)nc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c1 ZINC000008548803 170339478 /nfs/dbraw/zinc/33/94/78/170339478.db2.gz JPSPVKDNWOQQHS-VMPITWQZSA-N 0 0 297.314 3.259 50 5 CGBARN O=c1[nH]c(C=Cc2ccc([N+](=O)[O-])cc2)nc2ccccc12 ZINC000033401014 171789998 /nfs/dbraw/zinc/78/99/98/171789998.db2.gz ZRKBGTUWFGKHKQ-YFHOEESVSA-N 0 0 293.282 3.002 50 5 CGBARN COc1ccc([N+](=O)[O-])cc1OCc1ccccc1 ZINC000033822431 171821781 /nfs/dbraw/zinc/82/17/81/171821781.db2.gz MYKBXOQHDQLNGL-UHFFFAOYSA-N 0 0 259.261 3.182 50 5 CGBARN COC(=O)/C=C/c1ccc(-c2ccc([N+](=O)[O-])cc2C)o1 ZINC000072193629 176337079 /nfs/dbraw/zinc/33/70/79/176337079.db2.gz FWCSPNCUJASWQH-VMPITWQZSA-N 0 0 287.271 3.349 50 5 CGBARN Cc1csc([C@H](Nc2ncccc2[N+](=O)[O-])C2CC2)n1 ZINC000078381431 177336170 /nfs/dbraw/zinc/33/61/70/177336170.db2.gz AOPFWPKXUOIDLS-LLVKDONJSA-N 0 0 290.348 3.318 50 5 CGBARN O=[N+]([O-])c1ccc2[nH]c3c(cccc3[N+](=O)[O-])c2c1 ZINC000002968278 275037615 /nfs/dbraw/zinc/03/76/15/275037615.db2.gz MEFATMTVUAOEJH-UHFFFAOYSA-N 0 0 257.205 3.138 50 5 CGBARN CC1CCN(c2ccc([N+](=O)[O-])c3cnccc32)CC1 ZINC000012557551 275942388 /nfs/dbraw/zinc/94/23/88/275942388.db2.gz BMBFJPMXHBXSSC-UHFFFAOYSA-N 0 0 271.320 3.379 50 5 CGBARN C[C@H]1CC(C)(C)C[C@@](Br)([N+](=O)[O-])C1 ZINC000958528864 640827000 /nfs/dbraw/zinc/82/70/00/640827000.db2.gz XEKBCHSLQYFJLS-CBAPKCEASA-N 0 0 250.136 3.201 50 5 CGBARN O=[N+]([O-])c1ccc(CCNc2ccc3c(c2)COC3)cc1 ZINC000184439868 230395753 /nfs/dbraw/zinc/39/57/53/230395753.db2.gz AGEIWXPZQRVOAS-UHFFFAOYSA-N 0 0 284.315 3.280 50 5 CGBARN O=[N+]([O-])c1cccc(CNc2cc(CO)ccc2Cl)c1 ZINC000076062080 345531683 /nfs/dbraw/zinc/53/16/83/345531683.db2.gz WVGFFFHSJJZRAR-UHFFFAOYSA-N 0 0 292.722 3.353 50 5 CGBARN CC(C)N(C)C(=O)[C@@H](C)SCc1ccc([N+](=O)[O-])cc1 ZINC000131369928 187560527 /nfs/dbraw/zinc/56/05/27/187560527.db2.gz XAVLOBQMZDDSDV-LLVKDONJSA-N 0 0 296.392 3.083 50 5 CGBARN C[C@H]1C[C@H]1c1ccc(Br)cc1[N+](=O)[O-] ZINC000020064306 291159301 /nfs/dbraw/zinc/15/93/01/291159301.db2.gz RUXYGSMSWHYDEH-IMTBSYHQSA-N 0 0 256.099 3.481 50 5 CGBARN O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCCc2ccccc21 ZINC000000209654 368315765 /nfs/dbraw/zinc/31/57/65/368315765.db2.gz CETZQQLFSOMPLK-UHFFFAOYSA-N 0 0 296.326 3.117 50 5 CGBARN Cc1ccccc1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000000103275 368290905 /nfs/dbraw/zinc/29/09/05/368290905.db2.gz RDJDRUCNHBLROS-UHFFFAOYSA-N 0 0 256.261 3.156 50 5 CGBARN COC(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000000106764 368292369 /nfs/dbraw/zinc/29/23/69/368292369.db2.gz YKKWDCDQTMQFQI-RVDMUPIBSA-N 0 0 283.283 3.308 50 5 CGBARN CC(C)CCNC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000000442311 368367954 /nfs/dbraw/zinc/36/79/54/368367954.db2.gz HCAWJRCOXSIDBG-UHFFFAOYSA-N 0 0 270.716 3.024 50 5 CGBARN O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1cccc(Cl)c1 ZINC000000282654 368331666 /nfs/dbraw/zinc/33/16/66/368331666.db2.gz DDUNLWSAICMMHK-UHFFFAOYSA-N 0 0 290.706 3.429 50 5 CGBARN COc1ccccc1NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000000294152 368334868 /nfs/dbraw/zinc/33/48/68/368334868.db2.gz MKLRJSBUIYHPQS-MDZDMXLPSA-N 0 0 298.298 3.255 50 5 CGBARN O=C(NCc1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000000300618 368336204 /nfs/dbraw/zinc/33/62/04/368336204.db2.gz DBGGDPXHDVDKQC-UHFFFAOYSA-N 0 0 290.706 3.178 50 5 CGBARN C[C@H](OC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)c1ccccc1 ZINC000000312861 368339379 /nfs/dbraw/zinc/33/93/79/368339379.db2.gz SHVVBQJXZMCDAX-NSHDSACASA-N 0 0 299.282 3.023 50 5 CGBARN O=[N+]([O-])c1ccc(Sc2ccccc2CO)cc1 ZINC000000347441 368345451 /nfs/dbraw/zinc/34/54/51/368345451.db2.gz MNLVIHLDKKIENQ-UHFFFAOYSA-N 0 0 261.302 3.238 50 5 CGBARN Cc1ccccc1C(=O)OCc1ccc([N+](=O)[O-])cc1 ZINC000000467004 368372677 /nfs/dbraw/zinc/37/26/77/368372677.db2.gz XCRHOGKPDBYWJW-UHFFFAOYSA-N 0 0 271.272 3.260 50 5 CGBARN CC(=O)c1cc(C)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000001944639 368443417 /nfs/dbraw/zinc/44/34/17/368443417.db2.gz TWRMLKRWFRJEIL-UHFFFAOYSA-N 0 0 299.282 3.325 50 5 CGBARN O=[N+]([O-])c1ccc(/C=C/c2ccc([N+](=O)[O-])cc2)o1 ZINC000002144056 368446953 /nfs/dbraw/zinc/44/69/53/368446953.db2.gz FFRJGIKSSJBQSU-ZZXKWVIFSA-N 0 0 260.205 3.266 50 5 CGBARN O=Cc1cccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 ZINC000001693760 368432751 /nfs/dbraw/zinc/43/27/51/368432751.db2.gz YYQMCEXJWQWUFK-UHFFFAOYSA-N 0 0 288.215 3.108 50 5 CGBARN CCC(=O)c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000002519827 368460148 /nfs/dbraw/zinc/46/01/48/368460148.db2.gz JBZGDWOTNYFRMT-UHFFFAOYSA-N 0 0 298.298 3.440 50 5 CGBARN O=[N+]([O-])c1ccn(Cc2ccc(Cl)cc2Cl)n1 ZINC000002576234 368467088 /nfs/dbraw/zinc/46/70/88/368467088.db2.gz WOZZLGDAWMYIKA-UHFFFAOYSA-N 0 0 272.091 3.146 50 5 CGBARN O=C(OCc1cccc([N+](=O)[O-])c1)c1cccnc1Cl ZINC000003308611 368501935 /nfs/dbraw/zinc/50/19/35/368501935.db2.gz KXMKFSVIJUWWSF-UHFFFAOYSA-N 0 0 292.678 3.000 50 5 CGBARN Cc1ccc(C(=O)OCc2ccccc2F)cc1[N+](=O)[O-] ZINC000002868744 368483054 /nfs/dbraw/zinc/48/30/54/368483054.db2.gz IBXWCVQANPHNLL-UHFFFAOYSA-N 0 0 289.262 3.399 50 5 CGBARN Cc1ccccc1Nc1c2nonc2ccc1[N+](=O)[O-] ZINC000003904279 368523184 /nfs/dbraw/zinc/52/31/84/368523184.db2.gz UCBBSZCGWZADBA-UHFFFAOYSA-N 0 0 270.248 3.183 50 5 CGBARN CCCC[C@H](CC)C(=O)Nc1ncc([N+](=O)[O-])s1 ZINC000004506205 368548751 /nfs/dbraw/zinc/54/87/51/368548751.db2.gz HSPKPPHNQJNEDV-QMMMGPOBSA-N 0 0 271.342 3.206 50 5 CGBARN C[C@@H](NC(=O)c1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000009726537 368577207 /nfs/dbraw/zinc/57/72/07/368577207.db2.gz MFZYEVTXAKPULE-SNVBAGLBSA-N 0 0 288.278 3.225 50 5 CGBARN O=C(NCCCC1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000012974218 368636863 /nfs/dbraw/zinc/63/68/63/368636863.db2.gz LLBRHORHLCJUKG-UHFFFAOYSA-N 0 0 276.336 3.295 50 5 CGBARN CSc1ccc([N+](=O)[O-])c(C(=O)Nc2nccs2)c1 ZINC000014129190 368675063 /nfs/dbraw/zinc/67/50/63/368675063.db2.gz PUQCITLMMYEHIJ-UHFFFAOYSA-N 0 0 295.345 3.026 50 5 CGBARN O=[N+]([O-])c1ccccc1CN1CCc2ccccc2C1 ZINC000019536909 368757081 /nfs/dbraw/zinc/75/70/81/368757081.db2.gz STIUMHGEWZSQFF-UHFFFAOYSA-N 0 0 268.316 3.153 50 5 CGBARN O=C(Nc1cnc2ccccc2c1)c1ccc([N+](=O)[O-])s1 ZINC000024974866 368837526 /nfs/dbraw/zinc/83/75/26/368837526.db2.gz PSOMIAIKKXAHJH-UHFFFAOYSA-N 0 0 299.311 3.457 50 5 CGBARN Cc1ccc(NC(=O)CSC(F)(F)F)cc1[N+](=O)[O-] ZINC000032644160 368939674 /nfs/dbraw/zinc/93/96/74/368939674.db2.gz VJQCXOBHRLQZKY-UHFFFAOYSA-N 0 0 294.254 3.095 50 5 CGBARN CCc1ccc(CNC(=O)c2ccccc2[N+](=O)[O-])s1 ZINC000036395544 369020550 /nfs/dbraw/zinc/02/05/50/369020550.db2.gz DXKJEDCBEUJLCE-UHFFFAOYSA-N 0 0 290.344 3.149 50 5 CGBARN CC[C@@H](Nc1ncccc1[N+](=O)[O-])c1nc2ccccc2[nH]1 ZINC000075138135 369897061 /nfs/dbraw/zinc/89/70/61/369897061.db2.gz DMUHJGPYBTXOAD-SNVBAGLBSA-N 0 0 297.318 3.429 50 5 CGBARN Cc1cc(NC(=O)OC(C)(C)C)ccc1[N+](=O)[O-] ZINC000075290440 369901548 /nfs/dbraw/zinc/90/15/48/369901548.db2.gz DQWCKXNWWOLHPQ-UHFFFAOYSA-N 0 0 252.270 3.250 50 5 CGBARN O=[N+]([O-])c1ccccc1CN1CCC(C(F)(F)F)CC1 ZINC000075997593 369925196 /nfs/dbraw/zinc/92/51/96/369925196.db2.gz XHLMYKXGEAFNSE-UHFFFAOYSA-N 0 0 288.269 3.369 50 5 CGBARN CC(C)(C)Cc1nnc(NCc2ccc([N+](=O)[O-])cc2)o1 ZINC000097045497 370218645 /nfs/dbraw/zinc/21/86/45/370218645.db2.gz JZODNWVJNZNVIW-UHFFFAOYSA-N 0 0 290.323 3.179 50 5 CGBARN O=[N+]([O-])c1ccc(NCCc2ccc[nH]2)c2ncccc12 ZINC000095460494 370198646 /nfs/dbraw/zinc/19/86/46/370198646.db2.gz NNUHVCGANWAFEG-UHFFFAOYSA-N 0 0 282.303 3.126 50 5 CGBARN Cc1cccc(C(=O)N(C)C2CCCCC2)c1[N+](=O)[O-] ZINC000013002385 541851829 /nfs/dbraw/zinc/85/18/29/541851829.db2.gz ZRLIYRGXUNAHFE-UHFFFAOYSA-N 0 0 276.336 3.308 50 5 CGBARN C[C@H](Sc1ccc([N+](=O)[O-])cc1F)c1cnccn1 ZINC000193504895 375889585 /nfs/dbraw/zinc/88/95/85/375889585.db2.gz XIFQCAVJNWLSKT-QMMMGPOBSA-N 0 0 279.296 3.377 50 5 CGBARN CCCCc1cc2c3ccccc3oc(=O)c2c(N)n1 ZINC000226756704 376371693 /nfs/dbraw/zinc/37/16/93/376371693.db2.gz DDZBHJVLDAEUTP-UHFFFAOYSA-N 0 0 268.316 3.266 50 5 CGBARN O=[N+]([O-])c1ccc(OC(F)F)c(OC(F)(F)F)c1 ZINC000263624818 190071249 /nfs/dbraw/zinc/07/12/49/190071249.db2.gz UMNHKQSKDKVZJC-UHFFFAOYSA-N 0 0 273.113 3.095 50 5 CGBARN O=[N+]([O-])c1ccc(N2CC3CC2(c2ccccc2)C3)nc1 ZINC000585099558 378397104 /nfs/dbraw/zinc/39/71/04/378397104.db2.gz WBJSUWJVWTWESN-UHFFFAOYSA-N 0 0 281.315 3.115 50 5 CGBARN Cc1cc(C)n([C@H](C[N+](=O)[O-])c2ccccc2Cl)n1 ZINC000000075181 169527287 /nfs/dbraw/zinc/52/72/87/169527287.db2.gz VJLQBAFJRXLPBF-CYBMUJFWSA-N 0 0 279.727 3.019 50 5 CGBARN CCOc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000000103264 169537239 /nfs/dbraw/zinc/53/72/39/169537239.db2.gz ATDFHULEMXNOSD-UHFFFAOYSA-N 0 0 286.287 3.246 50 5 CGBARN O=C(NC1CCCCC1)c1cc([N+](=O)[O-])ccc1Cl ZINC000000103133 169537241 /nfs/dbraw/zinc/53/72/41/169537241.db2.gz VYVQMUUABALKSF-UHFFFAOYSA-N 0 0 282.727 3.311 50 5 CGBARN O=[N+]([O-])c1cnccc1-c1ccc(Br)cc1 ZINC000204450617 542283336 /nfs/dbraw/zinc/28/33/36/542283336.db2.gz SRXSLTLWJGIRGA-UHFFFAOYSA-N 0 0 279.093 3.419 50 5 CGBARN Cc1cccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC000000282720 169596514 /nfs/dbraw/zinc/59/65/14/169596514.db2.gz UCVPIFCIQNCTRN-UHFFFAOYSA-N 0 0 270.288 3.084 50 5 CGBARN Cc1ccc(NC(=O)c2cc(F)ccc2[N+](=O)[O-])cc1 ZINC000000381197 169624315 /nfs/dbraw/zinc/62/43/15/169624315.db2.gz UCRZXHZOUVYVOP-UHFFFAOYSA-N 0 0 274.251 3.295 50 5 CGBARN O=C1c2cccc3[nH]c([N+](=O)[O-])c(c32)-c2ccccc21 ZINC000035326148 285018100 /nfs/dbraw/zinc/01/81/00/285018100.db2.gz WZVUAOVNBKJWFO-UHFFFAOYSA-N 0 0 264.240 3.288 50 5 CGBARN O=[N+]([O-])c1cc(C(F)(F)F)cc2nc3ccccn3c21 ZINC000001427147 285085281 /nfs/dbraw/zinc/08/52/81/285085281.db2.gz FGTAQKACKWEUME-UHFFFAOYSA-N 0 0 281.193 3.415 50 5 CGBARN O=[N+]([O-])c1cc2c3c(c1)CCc1cccc(c1-3)CC2 ZINC000004571178 285100903 /nfs/dbraw/zinc/10/09/03/285100903.db2.gz CMQCIMXGPDHCOA-UHFFFAOYSA-N 0 0 251.285 3.459 50 5 CGBARN O=[N+]([O-])c1ccc(F)c(OC(Cl)(Cl)Cl)c1 ZINC000095215568 285117563 /nfs/dbraw/zinc/11/75/63/285117563.db2.gz SHVBFGPZSJEQIM-UHFFFAOYSA-N 0 0 274.462 3.440 50 5 CGBARN O=Cc1ccc(-c2ccc(Br)cc2[N+](=O)[O-])o1 ZINC000008732336 296443312 /nfs/dbraw/zinc/44/33/12/296443312.db2.gz LNRRSCXPTBKRIR-UHFFFAOYSA-N 0 0 296.076 3.430 50 5 CGBARN COc1ccc(Oc2nc3sccn3c2[N+](=O)[O-])cc1 ZINC000001395929 169700602 /nfs/dbraw/zinc/70/06/02/169700602.db2.gz YJLOZMVGOSTBBN-UHFFFAOYSA-N 0 0 291.288 3.105 50 5 CGBARN CCOc1ccc2nc3cccc(OC)c3nc2c1 ZINC000004141418 391919182 /nfs/dbraw/zinc/91/91/82/391919182.db2.gz QLKAAXUPOCKNDE-UHFFFAOYSA-N 0 0 254.289 3.190 50 5 CGBARN CSC[C@@H](C)N(C)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000096413370 392251540 /nfs/dbraw/zinc/25/15/40/392251540.db2.gz QFANPLVPDXUKER-SNVBAGLBSA-N 0 0 297.380 3.118 50 5 CGBARN O=C(Nc1cccc([N+](=O)[O-])c1)Oc1ccccc1 ZINC000002008751 169767214 /nfs/dbraw/zinc/76/72/14/169767214.db2.gz JRBQTHUEPKJNBD-UHFFFAOYSA-N 0 0 258.233 3.206 50 5 CGBARN Cc1nc(Cl)nc(Nc2ccccc2)c1[N+](=O)[O-] ZINC000003878086 169919044 /nfs/dbraw/zinc/91/90/44/169919044.db2.gz ZWRLOQXSVGFCJE-UHFFFAOYSA-N 0 0 264.672 3.090 50 5 CGBARN O=C(OCc1ccc([N+](=O)[O-])cc1Cl)c1ccco1 ZINC000004833321 170026275 /nfs/dbraw/zinc/02/62/75/170026275.db2.gz FJASUVWTKUYGHD-UHFFFAOYSA-N 0 0 281.651 3.198 50 5 CGBARN CCc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000004841966 170028120 /nfs/dbraw/zinc/02/81/20/170028120.db2.gz SHAHXQBIXURWFV-UHFFFAOYSA-N 0 0 270.288 3.410 50 5 CGBARN Cc1ccc(C(=O)N(C)c2ccccc2[N+](=O)[O-])cc1 ZINC000004954396 170045075 /nfs/dbraw/zinc/04/50/75/170045075.db2.gz GLAGPMBWCYRKEJ-UHFFFAOYSA-N 0 0 270.288 3.180 50 5 CGBARN CC[C@H]1CCCC[N@@H+]1Cc1cc(OC)c([O-])c([N+](=O)[O-])c1 ZINC000004987880 170049548 /nfs/dbraw/zinc/04/95/48/170049548.db2.gz ONYCEDLEPFGXNN-LBPRGKRZSA-N 0 0 294.351 3.074 50 5 CGBARN Cc1ccc(CC(=O)Nc2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000005268101 170081363 /nfs/dbraw/zinc/08/13/63/170081363.db2.gz IPNBKDLRMXZOFL-UHFFFAOYSA-N 0 0 284.315 3.393 50 5 CGBARN Cc1cccc(C(=O)N[C@H](C)c2ccccc2)c1[N+](=O)[O-] ZINC000006524577 170209939 /nfs/dbraw/zinc/20/99/39/170209939.db2.gz GCDFYFABQCBFHS-GFCCVEGCSA-N 0 0 284.315 3.394 50 5 CGBARN CCCCNC(=O)Nc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000020030819 170973785 /nfs/dbraw/zinc/97/37/85/170973785.db2.gz WRLJTLPRHTZLNZ-UHFFFAOYSA-N 0 0 294.336 3.126 50 5 CGBARN O=C(Oc1cccc([N+](=O)[O-])c1)[C@H]1C[C@H]1c1ccccc1 ZINC000022016090 171349554 /nfs/dbraw/zinc/34/95/54/171349554.db2.gz FFVUCQIKJLGTJL-GJZGRUSLSA-N 0 0 283.283 3.304 50 5 CGBARN O=Cc1ccc(-c2ccc(F)c(F)c2F)c([N+](=O)[O-])c1 ZINC000725272777 544115427 /nfs/dbraw/zinc/11/54/27/544115427.db2.gz VFHJJNSEBQBDOE-UHFFFAOYSA-N 0 0 281.189 3.492 50 5 CGBARN CC1CCN(c2cc(Cl)c3nonc3c2[N+](=O)[O-])CC1 ZINC000003882572 275941984 /nfs/dbraw/zinc/94/19/84/275941984.db2.gz CLZKWKBSTKVFOK-UHFFFAOYSA-N 0 0 296.714 3.021 50 5 CGBARN CCOC(=O)c1cc2cc3ccccc3cc2oc1=O ZINC000000384859 276297835 /nfs/dbraw/zinc/29/78/35/276297835.db2.gz SPTYKXZDMOHSHE-UHFFFAOYSA-N 0 0 268.268 3.123 50 5 CGBARN CC(=O)c1ccc(N2CCc3ccccc3C2)c([N+](=O)[O-])c1 ZINC000004344502 277111864 /nfs/dbraw/zinc/11/18/64/277111864.db2.gz APZLKWCDZAPTTK-UHFFFAOYSA-N 0 0 296.326 3.360 50 5 CGBARN Cc1csc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000000433119 279044975 /nfs/dbraw/zinc/04/49/75/279044975.db2.gz VEMSMOIHTDXZJN-UHFFFAOYSA-N 0 0 297.723 3.265 50 5 CGBARN Nc1c2ccccc2c(Br)cc1[N+](=O)[O-] ZINC000091301334 279695429 /nfs/dbraw/zinc/69/54/29/279695429.db2.gz HDIRDIWTOYQFJI-UHFFFAOYSA-N 0 0 267.082 3.093 50 5 CGBARN O=[N+]([O-])c1cc(Cl)c(F)cc1OC(F)(F)F ZINC000095215522 280357437 /nfs/dbraw/zinc/35/74/37/280357437.db2.gz QYPORAXZLYCVTJ-UHFFFAOYSA-N 0 0 259.542 3.286 50 5 CGBARN Cc1cn(-c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cn1 ZINC000091302116 281511869 /nfs/dbraw/zinc/51/18/69/281511869.db2.gz JMLCVCGQBRZYOZ-UHFFFAOYSA-N 0 0 271.198 3.108 50 5 CGBARN Cn1nccc1[C@H]1CCCCN1c1ccccc1[N+](=O)[O-] ZINC000253426748 303089524 /nfs/dbraw/zinc/08/95/24/303089524.db2.gz WQNQSHBZWVQIAY-CYBMUJFWSA-N 0 0 286.335 3.060 50 5 CGBARN Cc1ccc(CNC(=O)/C=C\c2ccccc2[N+](=O)[O-])cc1 ZINC000034876593 638878373 /nfs/dbraw/zinc/87/83/73/638878373.db2.gz BHRBRUPATWLSPK-KHPPLWFESA-N 0 0 296.326 3.233 50 5 CGBARN O=C1Cc2c3cc([N+](=O)[O-])ccc3[nH]c2-c2ccccc2N1 ZINC000000023894 368270939 /nfs/dbraw/zinc/27/09/39/368270939.db2.gz OLUKILHGKRVDCT-UHFFFAOYSA-N 0 0 293.282 3.238 50 5 in-vivo CGBARN Cc1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000000242509 368322722 /nfs/dbraw/zinc/32/27/22/368322722.db2.gz VXCLPVZGTDMDND-UHFFFAOYSA-N 0 0 257.245 3.122 50 5 CGBARN O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CCCCCC1 ZINC000000101976 368289300 /nfs/dbraw/zinc/28/93/00/368289300.db2.gz ZMUSPVMWJLXHES-UHFFFAOYSA-N 0 0 282.727 3.264 50 5 CGBARN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000000103308 368291222 /nfs/dbraw/zinc/29/12/22/368291222.db2.gz HYYSQFKMJYMIOP-LLVKDONJSA-N 0 0 270.288 3.086 50 5 CGBARN O=C(Oc1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000000242510 368323077 /nfs/dbraw/zinc/32/30/77/368323077.db2.gz FYLVXSFYEBNIKC-UHFFFAOYSA-N 0 0 277.663 3.467 50 5 CGBARN COc1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000000159288 368305160 /nfs/dbraw/zinc/30/51/60/368305160.db2.gz ULCYZNNAMJNPMX-UHFFFAOYSA-N 0 0 255.579 3.276 50 5 CGBARN Cc1cccc(NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)n1 ZINC000000171608 368308275 /nfs/dbraw/zinc/30/82/75/368308275.db2.gz QCZQKCOTVKJJCO-UHFFFAOYSA-N 0 0 296.286 3.032 50 5 CGBARN Nc1cc(Oc2ccc3c(c2)CCC3)cc([N+](=O)[O-])c1 ZINC000000265805 368328267 /nfs/dbraw/zinc/32/82/67/368328267.db2.gz WKZPBGCWCPOWNC-UHFFFAOYSA-N 0 0 270.288 3.458 50 5 CGBARN CCN(Cc1ccccc1)C(=O)c1ccccc1[N+](=O)[O-] ZINC000000271417 368329774 /nfs/dbraw/zinc/32/97/74/368329774.db2.gz NIMJRNNKCRWHDC-UHFFFAOYSA-N 0 0 284.315 3.257 50 5 CGBARN O=[N+]([O-])c1ccc(Sc2ccc(F)cc2)nc1 ZINC000000334901 368342103 /nfs/dbraw/zinc/34/21/03/368342103.db2.gz IUSQSKCUZCNQRM-UHFFFAOYSA-N 0 0 250.254 3.280 50 5 CGBARN O=C(NCc1cccs1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000000376389 368351863 /nfs/dbraw/zinc/35/18/63/368351863.db2.gz QEILATIWIWDSQM-UHFFFAOYSA-N 0 0 296.735 3.240 50 5 CGBARN COc1cc(C=O)ccc1Oc1ccc([N+](=O)[O-])cc1 ZINC000000436572 368365027 /nfs/dbraw/zinc/36/50/27/368365027.db2.gz RIXNXQQGIBEEIR-UHFFFAOYSA-N 0 0 273.244 3.208 50 5 CGBARN CCOC(=O)c1cc(-c2cc([N+](=O)[O-])ccc2Cl)no1 ZINC000000508171 368381543 /nfs/dbraw/zinc/38/15/43/368381543.db2.gz MNVVMKVJQKIVRY-UHFFFAOYSA-N 0 0 296.666 3.080 50 5 CGBARN O=[N+]([O-])c1ccccc1-c1nc(-c2cccs2)no1 ZINC000001420890 368413802 /nfs/dbraw/zinc/41/38/02/368413802.db2.gz NSENBUQCKIPWKZ-UHFFFAOYSA-N 0 0 273.273 3.373 50 5 CGBARN Cc1ccc(NC(=O)N2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000002172220 368448996 /nfs/dbraw/zinc/44/89/96/368448996.db2.gz UVTYFWCNYFBKFJ-UHFFFAOYSA-N 0 0 277.324 3.167 50 5 CGBARN O=c1[nH]c(Nc2cccc([N+](=O)[O-])c2)cc2ccccc21 ZINC000002700536 368473029 /nfs/dbraw/zinc/47/30/29/368473029.db2.gz YZYINQGRHSOING-UHFFFAOYSA-N 0 0 281.271 3.180 50 5 CGBARN O=C(Oc1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 ZINC000002754220 368475572 /nfs/dbraw/zinc/47/55/72/368475572.db2.gz JJZQXSGBDAZTLZ-UHFFFAOYSA-N 0 0 277.663 3.467 50 5 CGBARN O=C(OCc1c(F)cccc1Cl)c1ccc([N+](=O)[O-])o1 ZINC000003302562 368501914 /nfs/dbraw/zinc/50/19/14/368501914.db2.gz SYPIQEGLANIWQV-UHFFFAOYSA-N 0 0 299.641 3.337 50 5 CGBARN Cc1cccc(C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c1 ZINC000004010911 368525714 /nfs/dbraw/zinc/52/57/14/368525714.db2.gz UVQGKAMVTRIGRT-UHFFFAOYSA-N 0 0 270.288 3.464 50 5 CGBARN O=C(CCOc1ccccc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000004036898 368528924 /nfs/dbraw/zinc/52/89/24/368528924.db2.gz GRBANLAJHUOASK-UHFFFAOYSA-N 0 0 286.287 3.002 50 5 CGBARN COc1ccc(C(=O)N2[C@@H](C)CCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000004775565 368558052 /nfs/dbraw/zinc/55/80/52/368558052.db2.gz PZNYTOIGWDZUJP-QWRGUYRKSA-N 0 0 292.335 3.007 50 5 CGBARN Cc1nc([N+](=O)[O-])cn1CCCOc1ccc(Cl)cc1 ZINC000004302069 368542232 /nfs/dbraw/zinc/54/22/32/368542232.db2.gz LWKIFSOXPZZJOF-UHFFFAOYSA-N 0 0 295.726 3.222 50 5 CGBARN Cc1ccc(/C=C/C(=O)Nc2ccc([N+](=O)[O-])cc2C)o1 ZINC000004394042 368546391 /nfs/dbraw/zinc/54/63/91/368546391.db2.gz GFBWPXRSDAIGHX-SOFGYWHQSA-N 0 0 286.287 3.457 50 5 CGBARN CCOc1ccccc1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000004506269 368548696 /nfs/dbraw/zinc/54/86/96/368548696.db2.gz BABRDCMSLFXEQI-UHFFFAOYSA-N 0 0 286.287 3.246 50 5 CGBARN O=[N+]([O-])c1cc2c(cc1SC1CCCC1)OCCO2 ZINC000009154268 368575362 /nfs/dbraw/zinc/57/53/62/368575362.db2.gz CHIXGQTYIZTSDX-UHFFFAOYSA-N 0 0 281.333 3.401 50 5 CGBARN COc1ccc(C(=O)OCc2cccs2)cc1[N+](=O)[O-] ZINC000010410847 368581131 /nfs/dbraw/zinc/58/11/31/368581131.db2.gz JAXUDLDCIDTTKC-UHFFFAOYSA-N 0 0 293.300 3.022 50 5 CGBARN O=C(Nc1ccc(F)cc1F)c1ccc([N+](=O)[O-])s1 ZINC000012892675 368631859 /nfs/dbraw/zinc/63/18/59/368631859.db2.gz GUNVRPZVXISRAD-UHFFFAOYSA-N 0 0 284.243 3.187 50 5 CGBARN Cc1ccc2[nH]c(Sc3ncccc3[N+](=O)[O-])nc2c1 ZINC000013575455 368657905 /nfs/dbraw/zinc/65/79/05/368657905.db2.gz LCJHNIZHHBVZPN-UHFFFAOYSA-N 0 0 286.316 3.326 50 5 CGBARN C[C@H]1CN(C)[C@@H](C)c2c3cccc([N+](=O)[O-])c3oc21 ZINC000016662133 368719532 /nfs/dbraw/zinc/71/95/32/368719532.db2.gz YEDYHJFVBBFGPZ-IUCAKERBSA-N 0 0 260.293 3.451 50 5 CGBARN C[C@H](NC(=O)c1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000013984803 368673033 /nfs/dbraw/zinc/67/30/33/368673033.db2.gz MFZYEVTXAKPULE-JTQLQIEISA-N 0 0 288.278 3.225 50 5 CGBARN O=C(Nc1cc([N+](=O)[O-])ccc1F)OCc1ccccc1 ZINC000014000765 368673240 /nfs/dbraw/zinc/67/32/40/368673240.db2.gz LSGIFUHVMGFLNY-UHFFFAOYSA-N 0 0 290.250 3.483 50 5 CGBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(F)ccc1F ZINC000025125896 368842426 /nfs/dbraw/zinc/84/24/26/368842426.db2.gz KBJYDSUJZVALGW-UHFFFAOYSA-N 0 0 292.241 3.434 50 5 CGBARN O=[N+]([O-])c1ccc(/C=C\[S@](=O)c2ccccc2)cc1 ZINC000033305650 368962429 /nfs/dbraw/zinc/96/24/29/368962429.db2.gz HEABPNKZQVICOM-OEIFXAAASA-N 0 0 273.313 3.373 50 5 CGBARN COc1ccccc1NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000033301670 368962450 /nfs/dbraw/zinc/96/24/50/368962450.db2.gz GCEAFKPQBALVKP-FLIBITNWSA-N 0 0 298.298 3.255 50 5 CGBARN O=c1oc2c(ccc3c2CN(C2CC2)CO3)c2ccccc21 ZINC000057140414 369531997 /nfs/dbraw/zinc/53/19/97/369531997.db2.gz VYDFWLXIIWMSDC-UHFFFAOYSA-N 0 0 293.322 3.261 50 5 CGBARN O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CCCCCC1 ZINC000002741388 296172475 /nfs/dbraw/zinc/17/24/75/296172475.db2.gz QWBLDRWIVXOQHE-UHFFFAOYSA-N 0 0 282.727 3.264 50 5 CGBARN CCOCCSCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000083095772 541929446 /nfs/dbraw/zinc/92/94/46/541929446.db2.gz IGESQEFKBUQXEC-UHFFFAOYSA-N 0 0 282.321 3.006 50 5 CGBARN COc1cccc2c1CC[C@@H]2Nc1cc(N)ccc1[N+](=O)[O-] ZINC000193476440 375884835 /nfs/dbraw/zinc/88/48/35/375884835.db2.gz GJSDDOUWRNWAFR-ZDUSSCGKSA-N 0 0 299.330 3.285 50 5 CGBARN O=[N+]([O-])c1cc(Cl)cnc1OCc1ccccc1 ZINC000261494198 190039586 /nfs/dbraw/zinc/03/95/86/190039586.db2.gz RSOIXEDEBANDAR-UHFFFAOYSA-N 0 0 264.668 3.222 50 5 CGBARN Cc1cc([N+](=O)[O-])cc(Br)c1OC(F)F ZINC000263623749 190070422 /nfs/dbraw/zinc/07/04/22/190070422.db2.gz KKCJOJBUEQTVKF-UHFFFAOYSA-N 0 0 282.040 3.267 50 5 CGBARN CCOC(=O)c1cc(Cl)c([N+](=O)[O-])cc1Cl ZINC000263624007 190070627 /nfs/dbraw/zinc/07/06/27/190070627.db2.gz MOADXHNWWYOLSL-UHFFFAOYSA-N 0 0 264.064 3.078 50 5 CGBARN O=[N+]([O-])c1cc(F)cc(OC(F)F)c1Br ZINC000263625011 190070954 /nfs/dbraw/zinc/07/09/54/190070954.db2.gz WAIQIMRCJMLQQT-UHFFFAOYSA-N 0 0 286.003 3.098 50 5 CGBARN CCC[C@]1(Nc2ncc([N+](=O)[O-])cc2Cl)CCOC1 ZINC000253423179 377692090 /nfs/dbraw/zinc/69/20/90/377692090.db2.gz VLKUJIQNCOWKDK-LBPRGKRZSA-N 0 0 285.731 3.014 50 5 CGBARN CCOc1cc(CSc2nncs2)ccc1[N+](=O)[O-] ZINC000276882801 379012392 /nfs/dbraw/zinc/01/23/92/379012392.db2.gz IXSQAVIOBWYFII-UHFFFAOYSA-N 0 0 297.361 3.137 50 5 CGBARN Cc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000000103280 169537383 /nfs/dbraw/zinc/53/73/83/169537383.db2.gz UEPGMSOIQCDFBZ-UHFFFAOYSA-N 0 0 256.261 3.156 50 5 CGBARN CCC(=O)c1ccc(OC(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000000472321 169649811 /nfs/dbraw/zinc/64/98/11/169649811.db2.gz MCPSBJFWMGXEAS-UHFFFAOYSA-N 0 0 299.282 3.407 50 5 CGBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)/C=C/c1ccco1 ZINC000000511279 169659444 /nfs/dbraw/zinc/65/94/44/169659444.db2.gz YTUROABLHWJHEA-VOTSOKGWSA-N 0 0 272.260 3.148 50 5 CGBARN O=[N+]([O-])c1cc(Cl)c(N2CCCCN2)c(Cl)c1 ZINC000253431986 285087557 /nfs/dbraw/zinc/08/75/57/285087557.db2.gz ZHPWSCZIUBCYJM-UHFFFAOYSA-N 0 0 276.123 3.006 50 5 CGBARN O=[N+]([O-])c1cc(OC(Cl)(Cl)Cl)ccc1F ZINC000095215480 285096580 /nfs/dbraw/zinc/09/65/80/285096580.db2.gz NDFKPGLQXAMJML-UHFFFAOYSA-N 0 0 274.462 3.440 50 5 CGBARN O=C1c2ccccc2C[N@+]1([O-])c1ccc(Cl)cc1 ZINC000247397631 296440576 /nfs/dbraw/zinc/44/05/76/296440576.db2.gz MOVYGUKRSLLDKU-INIZCTEOSA-N 0 0 259.692 3.499 50 5 CGBARN Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=O)c1cccnc1 ZINC000004592261 391920845 /nfs/dbraw/zinc/92/08/45/391920845.db2.gz IOIZQLIKALTXQI-UHFFFAOYSA-N 0 0 291.694 3.204 50 5 CGBARN O=C(NCc1cccs1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000003557878 169896810 /nfs/dbraw/zinc/89/68/10/169896810.db2.gz QVPACWADDWFYFM-UHFFFAOYSA-N 0 0 296.735 3.240 50 5 CGBARN O=C(NCC1CCCCC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000004776806 170015775 /nfs/dbraw/zinc/01/57/75/170015775.db2.gz PUENJGACFZQBHI-UHFFFAOYSA-N 0 0 277.324 3.297 50 5 CGBARN CCOc1ccc(NC(=O)c2ccoc2C)c([N+](=O)[O-])c1 ZINC000005021116 170056686 /nfs/dbraw/zinc/05/66/86/170056686.db2.gz NMNSWXMWRXGRTD-UHFFFAOYSA-N 0 0 290.275 3.147 50 5 CGBARN CC(C)CCNC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000005907533 170153404 /nfs/dbraw/zinc/15/34/04/170153404.db2.gz JHANTKCLYFWFTJ-UHFFFAOYSA-N 0 0 270.716 3.024 50 5 CGBARN Cc1nn(Cc2coc(-c3ccccc3)n2)c(C)c1[N+](=O)[O-] ZINC000006542714 170211825 /nfs/dbraw/zinc/21/18/25/170211825.db2.gz KAVIMCLUUJQCGB-UHFFFAOYSA-N 0 0 298.302 3.111 50 5 CGBARN Cc1c(C(=O)N(C)Cc2cccs2)cccc1[N+](=O)[O-] ZINC000012612453 170500546 /nfs/dbraw/zinc/50/05/46/170500546.db2.gz BBYTUZODGJAENW-UHFFFAOYSA-N 0 0 290.344 3.237 50 5 CGBARN Cc1ccc([C@H](C)Nc2ccc([N+](=O)[O-])cn2)cc1 ZINC000039931871 174175856 /nfs/dbraw/zinc/17/58/56/174175856.db2.gz JYNXNFGIONBZQH-NSHDSACASA-N 0 0 257.293 3.471 50 5 CGBARN COc1ccc([N+](=O)[O-])cc1C(=O)OC1CCCCC1 ZINC000039982765 174180802 /nfs/dbraw/zinc/18/08/02/174180802.db2.gz ZTJHINBTGSKTDY-UHFFFAOYSA-N 0 0 279.292 3.093 50 5 CGBARN C[C@H](O)c1ccc(CNc2ccccc2[N+](=O)[O-])cc1 ZINC000048894411 175452648 /nfs/dbraw/zinc/45/26/48/175452648.db2.gz BQVKIETUUDTDBK-NSHDSACASA-N 0 0 272.304 3.260 50 5 CGBARN CC(C)(C)NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000078705752 177374327 /nfs/dbraw/zinc/37/43/27/177374327.db2.gz VFKYYMMUWFQPQN-UHFFFAOYSA-N 0 0 271.704 3.168 50 5 CGBARN Cc1ccc(-c2nc3ccccc3[nH]2)cc1[N+](=O)[O-] ZINC000057797375 280728896 /nfs/dbraw/zinc/72/88/96/280728896.db2.gz KHGYDWAWDOLHTD-UHFFFAOYSA-N 0 0 253.261 3.447 50 5 CGBARN Cc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 ZINC000000127860 280787851 /nfs/dbraw/zinc/78/78/51/280787851.db2.gz RBBOFOAAFQFDFH-UHFFFAOYSA-N 0 0 270.288 3.464 50 5 CGBARN Cc1ccc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])nc1 ZINC000000303902 280910860 /nfs/dbraw/zinc/91/08/60/280910860.db2.gz OPGAFPSBAIKTQB-UHFFFAOYSA-N 0 0 291.694 3.204 50 5 CGBARN CC(C)Cn1cc(/C=C\c2ccc([N+](=O)[O-])cn2)cn1 ZINC000542936050 288777889 /nfs/dbraw/zinc/77/78/89/288777889.db2.gz NSOLVOUIQXKUNB-ARJAWSKDSA-N 0 0 272.308 3.013 50 5 CGBARN O=c1oc2ccccc2c(NC2CCCCC2)c1[N+](=O)[O-] ZINC000004256647 326810584 /nfs/dbraw/zinc/81/05/84/326810584.db2.gz KJQQNAKIGJWQDB-UHFFFAOYSA-N 0 0 288.303 3.446 50 5 CGBARN CC(=O)Nc1ccc(C)cc1NCc1ccccc1[N+](=O)[O-] ZINC000083138984 178339932 /nfs/dbraw/zinc/33/99/32/178339932.db2.gz SIRGERWJRKQESY-UHFFFAOYSA-N 0 0 299.330 3.474 50 5 CGBARN Cc1nn(-c2ccc([N+](=O)[O-])cc2)c2nc(C)cc(C)c12 ZINC000004006244 282241582 /nfs/dbraw/zinc/24/15/82/282241582.db2.gz DDRJWSMUYOVUPA-UHFFFAOYSA-N 0 0 282.303 3.254 50 5 CGBARN CC(C)(C)OC(=O)n1c([N+](=O)[O-])cc2ccccc21 ZINC000036374244 344944037 /nfs/dbraw/zinc/94/40/37/344944037.db2.gz UCHLVDQEISHRBV-UHFFFAOYSA-N 0 0 262.265 3.333 50 5 CGBARN Cc1cc([N+](=O)[O-])cc(N)c1OCc1ccccc1 ZINC000584904543 346723724 /nfs/dbraw/zinc/72/37/24/346723724.db2.gz XUKIRHDZTIRJGX-UHFFFAOYSA-N 0 0 258.277 3.064 50 5 CGBARN Nc1ccccc1Nc1c2ccccc2oc(=O)c1[N+](=O)[O-] ZINC000004859528 283680967 /nfs/dbraw/zinc/68/09/67/283680967.db2.gz FWHRQRLEMZBNQG-UHFFFAOYSA-N 0 0 297.270 3.027 50 5 CGBARN O=[N+]([O-])c1ccc(CSc2nc3cccnc3[nH]2)cc1 ZINC000000092631 368286551 /nfs/dbraw/zinc/28/65/51/368286551.db2.gz QQDBYWFZVIDSNJ-UHFFFAOYSA-N 0 0 286.316 3.158 50 5 CGBARN Cn1ccnc1Sc1cc(Cl)ccc1[N+](=O)[O-] ZINC000000092376 368287441 /nfs/dbraw/zinc/28/74/41/368287441.db2.gz XLZJONCLTJJAOJ-UHFFFAOYSA-N 0 0 269.713 3.133 50 5 CGBARN Cc1nc(Cl)c(C(=O)NCCC(C)C)c(C)c1[N+](=O)[O-] ZINC000000095113 368288595 /nfs/dbraw/zinc/28/85/95/368288595.db2.gz NPEWSRWDEQFKOY-UHFFFAOYSA-N 0 0 299.758 3.036 50 5 CGBARN COc1ccc(C(=O)Nc2cccc(C)c2)cc1[N+](=O)[O-] ZINC000000103387 368290357 /nfs/dbraw/zinc/29/03/57/368290357.db2.gz BOESIOZYEXBVBP-UHFFFAOYSA-N 0 0 286.287 3.164 50 5 CGBARN COc1ccc(OC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000000149021 368302377 /nfs/dbraw/zinc/30/23/77/368302377.db2.gz SGSDBPYQMYGSBG-UHFFFAOYSA-N 0 0 287.271 3.131 50 5 CGBARN O=C(Oc1cc(F)ccc1[N+](=O)[O-])c1ccccc1F ZINC000000152896 368303774 /nfs/dbraw/zinc/30/37/74/368303774.db2.gz RQLNGQUFVJJLIV-UHFFFAOYSA-N 0 0 279.198 3.092 50 5 CGBARN O=Cc1cc([N+](=O)[O-])ccc1OCc1cccc(F)c1 ZINC000000152853 368303874 /nfs/dbraw/zinc/30/38/74/368303874.db2.gz NHPUDKLPCIIKNM-UHFFFAOYSA-N 0 0 275.235 3.125 50 5 CGBARN Cc1nc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)sc1C ZINC000000442253 368368018 /nfs/dbraw/zinc/36/80/18/368368018.db2.gz SJJXRTDNHLBPRD-UHFFFAOYSA-N 0 0 291.332 3.229 50 5 CGBARN COc1ccc(-c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000000276084 368330633 /nfs/dbraw/zinc/33/06/33/368330633.db2.gz PUZLCGYSAKXHRL-UHFFFAOYSA-N 0 0 297.270 3.320 50 5 CGBARN O=[N+]([O-])c1ccccc1SNCc1ccccc1 ZINC000000290070 368333276 /nfs/dbraw/zinc/33/32/76/368333276.db2.gz GYEKKPFDEMJSNG-UHFFFAOYSA-N 0 0 260.318 3.392 50 5 CGBARN C[C@@H]1CCCCN1C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000000288769 368333569 /nfs/dbraw/zinc/33/35/69/368333569.db2.gz RZAGPLQLAUBXSA-SECBINFHSA-N 0 0 282.727 3.263 50 5 CGBARN Cc1ccc(C(=O)Nc2ccccc2)cc1[N+](=O)[O-] ZINC000000300468 368335493 /nfs/dbraw/zinc/33/54/93/368335493.db2.gz WZLPPEGBGRYQRC-UHFFFAOYSA-N 0 0 256.261 3.156 50 5 CGBARN Cc1cccc(C(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000000347604 368345814 /nfs/dbraw/zinc/34/58/14/368345814.db2.gz IODIHKWIRVQZRS-UHFFFAOYSA-N 0 0 256.261 3.156 50 5 CGBARN COc1cccc(NC(=O)/C=C/c2ccccc2[N+](=O)[O-])c1 ZINC000000464991 368372575 /nfs/dbraw/zinc/37/25/75/368372575.db2.gz VAOJYCBKRSZXDE-MDZDMXLPSA-N 0 0 298.298 3.255 50 5 CGBARN CC[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000000373399 368352096 /nfs/dbraw/zinc/35/20/96/368352096.db2.gz IDRPRRKCCRJQMC-ZETCQYMHSA-N 0 0 256.689 3.233 50 5 CGBARN O=c1oc2c(cc(O)cc2-c2ccccc2[N+](=O)[O-])s1 ZINC000000538779 368385065 /nfs/dbraw/zinc/38/50/65/368385065.db2.gz PKCIITVQCFGKJK-UHFFFAOYSA-N 0 0 289.268 3.135 50 5 CGBARN CCOC(=O)c1csc(N)c1-c1ccc([N+](=O)[O-])cc1 ZINC000000545699 368385664 /nfs/dbraw/zinc/38/56/64/368385664.db2.gz ZSZSPRIPTVJZDS-UHFFFAOYSA-N 0 0 292.316 3.082 50 5 CGBARN O=[N+]([O-])c1ccc(Sc2ccccc2O)c([N+](=O)[O-])c1 ZINC000002066517 368445667 /nfs/dbraw/zinc/44/56/67/368445667.db2.gz MIDCRWKQEQRTHA-UHFFFAOYSA-N 0 0 292.272 3.360 50 5 CGBARN O=[N+]([O-])c1ccc(Cl)c(NC(=S)N2CCCC2)c1 ZINC000003327547 368502457 /nfs/dbraw/zinc/50/24/57/368502457.db2.gz XROONOXJOKWDQA-UHFFFAOYSA-N 0 0 285.756 3.041 50 5 CGBARN COc1cccc(OCc2ccc([N+](=O)[O-])cc2)c1 ZINC000003158077 368493969 /nfs/dbraw/zinc/49/39/69/368493969.db2.gz NAKKMJRALDCXKE-UHFFFAOYSA-N 0 0 259.261 3.182 50 5 CGBARN O=[N+]([O-])c1cc(C(F)(F)F)ccc1NC[C@@H]1CCCO1 ZINC000003880632 368522606 /nfs/dbraw/zinc/52/26/06/368522606.db2.gz VZNCLUWURSSLNS-VIFPVBQESA-N 0 0 290.241 3.205 50 5 CGBARN O=[N+]([O-])c1ccc(Cl)cc1NCCOCC(F)(F)F ZINC000004672346 368555484 /nfs/dbraw/zinc/55/54/84/368555484.db2.gz NJFQEZRORAMBGW-UHFFFAOYSA-N 0 0 298.648 3.239 50 5 CGBARN CC(=O)Nc1ccc(-c2ccccc2)cc1[N+](=O)[O-] ZINC000004211629 368536844 /nfs/dbraw/zinc/53/68/44/368536844.db2.gz JKXVEWTVBFBXAA-UHFFFAOYSA-N 0 0 256.261 3.220 50 5 CGBARN O=[N+]([O-])c1ccc(Cl)cc1NCc1cccnc1 ZINC000004310929 368541756 /nfs/dbraw/zinc/54/17/56/368541756.db2.gz LHTNUMKKTLNWHF-UHFFFAOYSA-N 0 0 263.684 3.255 50 5 CGBARN CCC(C)(C)C(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000004313668 368541945 /nfs/dbraw/zinc/54/19/45/368541945.db2.gz YMKLAXSFMYVALZ-UHFFFAOYSA-N 0 0 250.298 3.278 50 5 CGBARN CC(=O)c1ccc(Nc2ccc3c(c2)CCO3)c([N+](=O)[O-])c1 ZINC000012546191 368620120 /nfs/dbraw/zinc/62/01/20/368620120.db2.gz PXNOVEJWTYOFOO-UHFFFAOYSA-N 0 0 298.298 3.476 50 5 CGBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(N(C)C)cc1 ZINC000017024753 368726117 /nfs/dbraw/zinc/72/61/17/368726117.db2.gz NQUJCTYHNIKYRZ-UHFFFAOYSA-N 0 0 299.330 3.222 50 5 CGBARN C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)c1ccoc1 ZINC000016236494 368709523 /nfs/dbraw/zinc/70/95/23/368709523.db2.gz WHYLSJHDKXUXQA-SNVBAGLBSA-N 0 0 274.276 3.021 50 5 CGBARN O=C(Oc1ccc2oc3ccccc3c2c1)[C@H]1C[C@H]1[N+](=O)[O-] ZINC000032932053 368954066 /nfs/dbraw/zinc/95/40/66/368954066.db2.gz UTHVAILYIKSVLA-QWHCGFSZSA-N 0 0 297.266 3.157 50 5 CGBARN C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2O1 ZINC000041155790 369176878 /nfs/dbraw/zinc/17/68/78/369176878.db2.gz ODQFLPQZYKYSNG-NSHDSACASA-N 0 0 298.298 3.023 50 5 CGBARN Cc1nn(C)c(N[C@@H](C)c2ccccc2C)c1[N+](=O)[O-] ZINC000047331225 369312480 /nfs/dbraw/zinc/31/24/80/369312480.db2.gz JWEADXZNMNAXIK-JTQLQIEISA-N 0 0 274.324 3.118 50 5 CGBARN COCCCNC(=O)c1cc2ccccc2c2cccnc12 ZINC000048237321 369338922 /nfs/dbraw/zinc/33/89/22/369338922.db2.gz PVJPDXXYJORIJF-UHFFFAOYSA-N 0 0 294.354 3.154 50 5 CGBARN Cc1cc([C@@](C)(O)CNc2ccc([N+](=O)[O-])s2)c(C)o1 ZINC000078308224 541915059 /nfs/dbraw/zinc/91/50/59/541915059.db2.gz FXOPUSWBCPEFFL-ZDUSSCGKSA-N 0 0 296.348 3.186 50 5 CGBARN COC1CCN(c2cc(Cl)c(F)cc2[N+](=O)[O-])CC1 ZINC000328593906 284774773 /nfs/dbraw/zinc/77/47/73/284774773.db2.gz YCQASZWKXHQPNP-UHFFFAOYSA-N 0 0 288.706 3.003 50 5 CGBARN COc1ccccc1NC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000000060244 169521903 /nfs/dbraw/zinc/52/19/03/169521903.db2.gz HYFGWJKNUHBMIF-ZHACJKMWSA-N 0 0 298.298 3.255 50 5 biogenic CGBARN O=[N+]([O-])c1cccc(Nc2ncnc3ccccc32)c1 ZINC000000118586 169542678 /nfs/dbraw/zinc/54/26/78/169542678.db2.gz XJOHOCFXDMKHIX-UHFFFAOYSA-N 0 0 266.260 3.282 50 5 CGBARN O=Cc1c[nH]c2c1ccc1c3[nH]cc(C=O)c3ccc21 ZINC000000230314 285031111 /nfs/dbraw/zinc/03/11/11/285031111.db2.gz WOASYXSZRSZWFO-UHFFFAOYSA-N 0 0 262.268 3.427 50 5 biogenic CGBARN O=[N+]([O-])c1ccc(-c2nc3cc(Cl)cnc3[nH]2)s1 ZINC000085224078 285105608 /nfs/dbraw/zinc/10/56/08/285105608.db2.gz HGHOSNXHXSDYBK-UHFFFAOYSA-N 0 0 280.696 3.248 50 5 CGBARN O=[N+]([O-])c1ccc(C2=CN3c4ccccc4S[C@@H]3N2)cc1 ZINC000101035869 285109754 /nfs/dbraw/zinc/10/97/54/285109754.db2.gz GJSUWZVSSWLFRP-OAHLLOKOSA-N 0 0 297.339 3.392 50 5 CGBARN O=c1c(Cl)c(C(F)F)oc2ccc([N+](=O)[O-])cc12 ZINC000006668618 285206385 /nfs/dbraw/zinc/20/63/85/285206385.db2.gz AKZMVXTYQAJAOW-UHFFFAOYSA-N 0 0 275.594 3.292 50 5 CGBARN CCN(CC)C(=O)Oc1cc([N+](=O)[O-])ccc1Cl ZINC000080768643 392221598 /nfs/dbraw/zinc/22/15/98/392221598.db2.gz HHWOAFMUWLHLAJ-UHFFFAOYSA-N 0 0 272.688 3.089 50 5 CGBARN CCOC(=O)c1sc2ccc([N+](=O)[O-])cc2c1C ZINC000001701068 169745154 /nfs/dbraw/zinc/74/51/54/169745154.db2.gz ZLSYFCRPOHWMHJ-UHFFFAOYSA-N 0 0 265.290 3.295 50 5 CGBARN CC1(C)Cc2cccc(Oc3ncccc3[N+](=O)[O-])c2O1 ZINC000003385275 169884124 /nfs/dbraw/zinc/88/41/24/169884124.db2.gz ZDEYFOTZNNRHPD-UHFFFAOYSA-N 0 0 286.287 3.496 50 5 CGBARN O=[N+]([O-])c1ccccc1NC(=S)Nc1ccccc1 ZINC000004244896 169948100 /nfs/dbraw/zinc/94/81/00/169948100.db2.gz YNLDZXYYXGYXNA-UHFFFAOYSA-N 0 0 273.317 3.404 50 5 CGBARN CC(C)OC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000004583061 169986657 /nfs/dbraw/zinc/98/66/57/169986657.db2.gz UACAWPQJLSPDQJ-UHFFFAOYSA-N 0 0 258.661 3.205 50 5 CGBARN COc1ccc(Br)cc1/C=C(\C)[N+](=O)[O-] ZINC000004697567 170000668 /nfs/dbraw/zinc/00/06/68/170000668.db2.gz JOXODTLNVBXLET-FNORWQNLSA-N 0 0 272.098 3.095 50 5 CGBARN CC[C@@H](Cc1ccccc1)NC(=O)c1ccccc1[N+](=O)[O-] ZINC000004808444 170020806 /nfs/dbraw/zinc/02/08/06/170020806.db2.gz SMPVUZALGRIQMU-AWEZNQCLSA-N 0 0 298.342 3.346 50 5 CGBARN O=C(Nc1cccc(Cl)c1)Nc1ccc([N+](=O)[O-])cn1 ZINC000004881535 170035447 /nfs/dbraw/zinc/03/54/47/170035447.db2.gz AROAZMSXSUAHBA-UHFFFAOYSA-N 0 0 292.682 3.287 50 5 CGBARN Nc1c(-c2ccccc2)cnn1-c1ccc([N+](=O)[O-])cc1 ZINC000005078277 170064322 /nfs/dbraw/zinc/06/43/22/170064322.db2.gz HORVVJSXGLDXDT-UHFFFAOYSA-N 0 0 280.287 3.030 50 5 CGBARN Cc1cnc(NC(=O)/C=C/c2ccccc2[N+](=O)[O-])s1 ZINC000006479671 170204243 /nfs/dbraw/zinc/20/42/43/170204243.db2.gz PQSDYVBFKDVTJK-VOTSOKGWSA-N 0 0 289.316 3.012 50 5 CGBARN CC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000007642671 170295049 /nfs/dbraw/zinc/29/50/49/170295049.db2.gz COATWQXBCUZTKO-UHFFFAOYSA-N 0 0 298.298 3.358 50 5 CGBARN O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc2c(c1)CCC2 ZINC000007888975 170306139 /nfs/dbraw/zinc/30/61/39/170306139.db2.gz AUTGRDKJRPXBLW-UHFFFAOYSA-N 0 0 282.299 3.336 50 5 CGBARN O=[N+]([O-])c1ccc(NCc2cccnc2)c(Cl)c1 ZINC000009379115 170375585 /nfs/dbraw/zinc/37/55/85/170375585.db2.gz HJNMRVCBGIECIX-UHFFFAOYSA-N 0 0 263.684 3.255 50 5 CGBARN Cc1nnc(Sc2ccc(F)cc2[N+](=O)[O-])s1 ZINC000009503949 170379611 /nfs/dbraw/zinc/37/96/11/170379611.db2.gz GXRZVFVUGFDIKW-UHFFFAOYSA-N 0 0 271.298 3.045 50 5 CGBARN O=[N+]([O-])c1cccc(OCc2cc(-c3ccco3)on2)c1 ZINC000025398572 171456312 /nfs/dbraw/zinc/45/63/12/171456312.db2.gz HJFSCGVJDBRYQS-UHFFFAOYSA-N 0 0 286.243 3.422 50 5 CGBARN O=C1O[C@@H](Nc2cc([N+](=O)[O-])ccc2F)c2ccccc21 ZINC000040476880 174282752 /nfs/dbraw/zinc/28/27/52/174282752.db2.gz PYLWRNZTWLIIPB-CYBMUJFWSA-N 0 0 288.234 3.015 50 5 CGBARN C[C@H](NC(=O)c1csc([N+](=O)[O-])c1)c1cccs1 ZINC000044315705 175162391 /nfs/dbraw/zinc/16/23/91/175162391.db2.gz HNIWWKYNEXTPNZ-ZETCQYMHSA-N 0 0 282.346 3.209 50 5 CGBARN O=[N+]([O-])c1ccc(OCc2nc3ccccc3o2)c(F)c1 ZINC000047355113 175407484 /nfs/dbraw/zinc/40/74/84/175407484.db2.gz JVIXPPAQBDPWBJ-UHFFFAOYSA-N 0 0 288.234 3.454 50 5 CGBARN Cc1nn(C)c(NC23CC4CC(CC(C4)C2)C3)c1[N+](=O)[O-] ZINC000075287250 176683329 /nfs/dbraw/zinc/68/33/29/176683329.db2.gz YPMDVSKZBAZQSK-UHFFFAOYSA-N 0 0 290.367 3.017 50 5 CGBARN CCOCc1ccc(CNc2ccc([N+](=O)[O-])cn2)cc1 ZINC000032803934 260146149 /nfs/dbraw/zinc/14/61/49/260146149.db2.gz CQPZSDKMWRKUTJ-UHFFFAOYSA-N 0 0 287.319 3.138 50 5 CGBARN O=C(Nc1ccncc1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000008780240 275000553 /nfs/dbraw/zinc/00/05/53/275000553.db2.gz RDUDAHZYGRJZOQ-UHFFFAOYSA-N 0 0 299.311 3.457 50 5 CGBARN CC(=O)Nc1cc2oc3ccccc3c2cc1[N+](=O)[O-] ZINC000004705909 275488684 /nfs/dbraw/zinc/48/86/84/275488684.db2.gz ZGFSVBVVTQVEPD-UHFFFAOYSA-N 0 0 270.244 3.453 50 5 CGBARN CCOC(=O)c1c(C)nc(C)c2c(=O)oc3ccccc3c12 ZINC000001428638 276296541 /nfs/dbraw/zinc/29/65/41/276296541.db2.gz YPQVJEXYFVCXMD-UHFFFAOYSA-N 0 0 297.310 3.135 50 5 CGBARN CCN(CC)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000045929495 276341499 /nfs/dbraw/zinc/34/14/99/276341499.db2.gz YCRLQFGZAVITNT-UHFFFAOYSA-N 0 0 262.231 3.460 50 5 CGBARN O=[N+]([O-])c1c(Br)cc(F)cc1Br ZINC000004772696 280353240 /nfs/dbraw/zinc/35/32/40/280353240.db2.gz NHVNREXXMPLVQB-UHFFFAOYSA-N 0 0 298.893 3.259 50 5 CGBARN O=[N+]([O-])c1cc(C(F)(F)F)cc2c1nc1ccccn12 ZINC000000109903 280356771 /nfs/dbraw/zinc/35/67/71/280356771.db2.gz RMSKLEBRMGSYJH-UHFFFAOYSA-N 0 0 281.193 3.415 50 5 CGBARN O=c1c2ccccc2nc2sc3ccccc3n21 ZINC000000118238 280392345 /nfs/dbraw/zinc/39/23/45/280392345.db2.gz YSYFIWDTNXUQCF-UHFFFAOYSA-N 0 0 252.298 3.062 50 5 CGBARN Cc1ccc2c(c1)NC(=O)c1cc([N+](=O)[O-])ccc1O2 ZINC000000088720 281078353 /nfs/dbraw/zinc/07/83/53/281078353.db2.gz UAZQPUJBGXZXBM-UHFFFAOYSA-N 0 0 270.244 3.261 50 5 CGBARN C[C@@]1(c2ccccc2)[C@@H]2C(c3ccc([N+](=O)[O-])cc3)=NO[C@@H]21 ZINC000004981693 289217047 /nfs/dbraw/zinc/21/70/47/289217047.db2.gz NNEFSNCOOGBWSC-HYVNUMGLSA-N 0 0 294.310 3.285 50 5 CGBARN C[C@@H](O)Cn1c2ccccc2c2cc([N+](=O)[O-])ccc21 ZINC000002285644 326796780 /nfs/dbraw/zinc/79/67/80/326796780.db2.gz JATCPSXWRIFLAF-SNVBAGLBSA-N 0 0 270.288 3.084 50 5 CGBARN CCc1ccc(NC(=O)/C=C\c2ccco2)cc1[N+](=O)[O-] ZINC000097015959 618225695 /nfs/dbraw/zinc/22/56/95/618225695.db2.gz YKKMDNZJSMJLEL-FPLPWBNLSA-N 0 0 286.287 3.402 50 5 CGBARN COc1ccccc1Nc1nc(Cl)nc(C)c1[N+](=O)[O-] ZINC000003880398 618913650 /nfs/dbraw/zinc/91/36/50/618913650.db2.gz MBXMNHZUJZKJKK-UHFFFAOYSA-N 0 0 294.698 3.099 50 5 CGBARN Cc1cc([N+](=O)[O-])cnc1NCc1csc(C2CC2)n1 ZINC000092653750 640741983 /nfs/dbraw/zinc/74/19/83/640741983.db2.gz CDTIPPNVASPOEZ-UHFFFAOYSA-N 0 0 290.348 3.244 50 5 CGBARN CCC(CC)CN(CC)c1ncccc1[N+](=O)[O-] ZINC000084727462 178921793 /nfs/dbraw/zinc/92/17/93/178921793.db2.gz DZSDMTHBLUFXOX-UHFFFAOYSA-N 0 0 251.330 3.252 50 5 CGBARN Cc1cc(C)cc(Cn2cc([N+](=O)[O-])c(C(F)(F)F)n2)c1 ZINC000170596269 346194352 /nfs/dbraw/zinc/19/43/52/346194352.db2.gz QKKAUYHCAQJGCY-UHFFFAOYSA-N 0 0 299.252 3.475 50 5 CGBARN N=C1c2ccccc2CN1c1ccc(F)c([N+](=O)[O-])c1 ZINC000003235098 283271184 /nfs/dbraw/zinc/27/11/84/283271184.db2.gz NGVUVWZCLSNJSG-UHFFFAOYSA-N 0 0 271.251 3.079 50 5 CGBARN Nc1nc(-c2ccc(C(F)(F)F)cc2[N+](=O)[O-])cs1 ZINC000000109034 283683099 /nfs/dbraw/zinc/68/30/99/283683099.db2.gz UMWNYCKZWIATOQ-UHFFFAOYSA-N 0 0 289.238 3.319 50 5 CGBARN COc1ccccc1NC(=O)c1cccc([N+](=O)[O-])c1C ZINC000000231411 368319828 /nfs/dbraw/zinc/31/98/28/368319828.db2.gz VSWKBRYAWOEADX-UHFFFAOYSA-N 0 0 286.287 3.164 50 5 CGBARN O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H]1C[C@@H]1c1ccccc1 ZINC000000234741 368320127 /nfs/dbraw/zinc/32/01/27/368320127.db2.gz UJHYOMVTFAFFGU-HUUCEWRRSA-N 0 0 282.299 3.337 50 5 CGBARN Cc1cc(C(=O)N[C@@H](C)c2ccccc2)ccc1[N+](=O)[O-] ZINC000000038994 368275669 /nfs/dbraw/zinc/27/56/69/368275669.db2.gz HSEDMEBEGXMMNU-LBPRGKRZSA-N 0 0 284.315 3.394 50 5 CGBARN O=C(Oc1cccc2cccnc21)c1cccc([N+](=O)[O-])c1 ZINC000000055198 368279338 /nfs/dbraw/zinc/27/93/38/368279338.db2.gz IPFYTDRKGKCPEX-UHFFFAOYSA-N 0 0 294.266 3.362 50 5 CGBARN CC(C)N(C(=O)/C=C/c1cccc([N+](=O)[O-])c1)C(C)C ZINC000000063802 368280687 /nfs/dbraw/zinc/28/06/87/368280687.db2.gz DIVHLQIHPPWRRY-CMDGGOBGSA-N 0 0 276.336 3.253 50 5 CGBARN Cc1c(-c2nc(-c3cccnc3)no2)cccc1[N+](=O)[O-] ZINC000000070401 368281808 /nfs/dbraw/zinc/28/18/08/368281808.db2.gz IYCCSRIBQWGOIO-UHFFFAOYSA-N 0 0 282.259 3.015 50 5 CGBARN C[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000000075386 368282816 /nfs/dbraw/zinc/28/28/16/368282816.db2.gz AMZSUPNYNMANGW-GFCCVEGCSA-N 0 0 284.315 3.015 50 5 CGBARN COc1ccccc1NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000000281418 368331955 /nfs/dbraw/zinc/33/19/55/368331955.db2.gz GCEAFKPQBALVKP-DHZHZOJOSA-N 0 0 298.298 3.255 50 5 CGBARN CC(=O)c1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000000290743 368334449 /nfs/dbraw/zinc/33/44/49/368334449.db2.gz WXLATYMPFUFSEU-UHFFFAOYSA-N 0 0 284.271 3.050 50 5 CGBARN COc1cccc(-c2nc(-c3cccc([N+](=O)[O-])c3)no2)c1 ZINC000000432809 368364949 /nfs/dbraw/zinc/36/49/49/368364949.db2.gz BCZZJDHMWJMILK-UHFFFAOYSA-N 0 0 297.270 3.320 50 5 CGBARN O=[N+]([O-])c1ccc([C@H]2NN=C(c3ccccc3)S2)cc1 ZINC000000432436 368365062 /nfs/dbraw/zinc/36/50/62/368365062.db2.gz YPVGQAHRBVUJCR-AWEZNQCLSA-N 0 0 285.328 3.292 50 5 CGBARN CCC(CC)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000000441406 368366219 /nfs/dbraw/zinc/36/62/19/368366219.db2.gz GUIRRRQIGXDXMQ-UHFFFAOYSA-N 0 0 250.298 3.278 50 5 CGBARN O=[N+]([O-])c1cnn(COc2c(Cl)cccc2Cl)c1 ZINC000002537603 368462002 /nfs/dbraw/zinc/46/20/02/368462002.db2.gz OOHKOTJYNNUCDV-UHFFFAOYSA-N 0 0 288.090 3.135 50 5 CGBARN Cc1cc(=O)oc2cc(Oc3ccc([N+](=O)[O-])nc3)ccc12 ZINC000003339973 368502677 /nfs/dbraw/zinc/50/26/77/368502677.db2.gz WEZVLMSHKJJBRZ-UHFFFAOYSA-N 0 0 298.254 3.197 50 5 CGBARN Cc1ccccc1Nc1ccc2nonc2c1[N+](=O)[O-] ZINC000003879027 368522497 /nfs/dbraw/zinc/52/24/97/368522497.db2.gz HCFFDRZPGDPZMN-UHFFFAOYSA-N 0 0 270.248 3.183 50 5 CGBARN COC(=O)c1ccccc1Nc1ccccc1[N+](=O)[O-] ZINC000004113987 368532436 /nfs/dbraw/zinc/53/24/36/368532436.db2.gz SGNHAYBFPWBEPU-UHFFFAOYSA-N 0 0 272.260 3.125 50 5 CGBARN CCCCSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000004114279 368532680 /nfs/dbraw/zinc/53/26/80/368532680.db2.gz GULDLHZEGGECFG-UHFFFAOYSA-N 0 0 256.283 3.395 50 5 CGBARN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000003446946 368508379 /nfs/dbraw/zinc/50/83/79/368508379.db2.gz OBECSFWWJMNIFG-JTQLQIEISA-N 0 0 288.278 3.225 50 5 CGBARN CCOc1cccc(C(=O)Nc2ccc([N+](=O)[O-])cc2)c1 ZINC000004689086 368556773 /nfs/dbraw/zinc/55/67/73/368556773.db2.gz XVIMLZFRRHSBHJ-UHFFFAOYSA-N 0 0 286.287 3.246 50 5 CGBARN CN(c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 ZINC000004982077 368560237 /nfs/dbraw/zinc/56/02/37/368560237.db2.gz VVNSMQIUUUPQFK-UHFFFAOYSA-N 0 0 273.248 3.271 50 5 CGBARN Cc1cccc(C(=O)N2c3ccccc3C[C@H]2C)c1[N+](=O)[O-] ZINC000009426496 368577018 /nfs/dbraw/zinc/57/70/18/368577018.db2.gz URPRWDZCVJTYHP-GFCCVEGCSA-N 0 0 296.326 3.495 50 5 CGBARN O=C(Nc1cccc(Nc2ncccc2[N+](=O)[O-])c1)C1CC1 ZINC000012538275 368618371 /nfs/dbraw/zinc/61/83/71/368618371.db2.gz ZKSWPVURAJQZKA-UHFFFAOYSA-N 0 0 298.302 3.082 50 5 CGBARN O=C(Nc1cccc2cccnc21)c1ccc([N+](=O)[O-])s1 ZINC000012599342 368621367 /nfs/dbraw/zinc/62/13/67/368621367.db2.gz VLAVGFNJOYIWPU-UHFFFAOYSA-N 0 0 299.311 3.457 50 5 CGBARN Cc1ccc([N+](=O)[O-])c(C)c1OCC(=O)c1ccccc1 ZINC000029750842 368898265 /nfs/dbraw/zinc/89/82/65/368898265.db2.gz SFUIOYBHFYGGEE-UHFFFAOYSA-N 0 0 285.299 3.473 50 5 CGBARN O=c1ccc([N+](=O)[O-])cn1Cc1c(Cl)cccc1Cl ZINC000032321351 368930402 /nfs/dbraw/zinc/93/04/02/368930402.db2.gz UCYGXYRNDQEFHP-UHFFFAOYSA-N 0 0 299.113 3.112 50 5 CGBARN C[C@@H]1c2c3cc([N+](=O)[O-])ccc3oc2[C@@H](C)CN1C ZINC000033295783 368960693 /nfs/dbraw/zinc/96/06/93/368960693.db2.gz HAPQZJBJBJVMIZ-DTWKUNHWSA-N 0 0 260.293 3.451 50 5 CGBARN CCC(CC)Nc1ncc(Br)cc1[N+](=O)[O-] ZINC000042371362 369217808 /nfs/dbraw/zinc/21/78/08/369217808.db2.gz VSZIKODJKOUHDZ-UHFFFAOYSA-N 0 0 288.145 3.353 50 5 CGBARN CCOc1ccc(Nc2ccc([N+](=O)[O-])cn2)cc1F ZINC000048374583 369345342 /nfs/dbraw/zinc/34/53/42/369345342.db2.gz DLYSAKOTOQJTFQ-UHFFFAOYSA-N 0 0 277.255 3.271 50 5 CGBARN Cc1c(NC(=O)C[C@@H](C)n2cccc2)cccc1[N+](=O)[O-] ZINC000069812705 369772285 /nfs/dbraw/zinc/77/22/85/369772285.db2.gz VOYOBRPOQUJZAO-LLVKDONJSA-N 0 0 287.319 3.295 50 5 CGBARN CN(Cc1c(F)cccc1[N+](=O)[O-])OCc1ccccc1 ZINC000159596724 372158959 /nfs/dbraw/zinc/15/89/59/372158959.db2.gz AHRBVGRGFGBSOZ-UHFFFAOYSA-N 0 0 290.294 3.298 50 5 CGBARN O=C(c1ccc([N+](=O)[O-])cc1)N1CC[C@@H]2CCCC[C@H]2C1 ZINC000008161103 296226725 /nfs/dbraw/zinc/22/67/25/296226725.db2.gz CDEUIZXPPIBTLT-JSGCOSHPSA-N 0 0 288.347 3.247 50 5 CGBARN O=C(Nc1cc(O)cc([N+](=O)[O-])c1)OCc1ccccc1 ZINC000261494382 190039677 /nfs/dbraw/zinc/03/96/77/190039677.db2.gz WGBJZQVMFGLCMX-UHFFFAOYSA-N 0 0 288.259 3.049 50 5 CGBARN CC(C)(C)O[C@H]1CCN(c2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000253430095 377693488 /nfs/dbraw/zinc/69/34/88/377693488.db2.gz PVTZNLRIDIMXQF-JTQLQIEISA-N 0 0 299.758 3.037 50 5 CGBARN O=C1CC=C(c2c[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000115285056 284783531 /nfs/dbraw/zinc/78/35/31/284783531.db2.gz IOTUSUVEITWNRV-UHFFFAOYSA-N 0 0 256.261 3.213 50 5 CGBARN Cc1cc(O)cc(C)c1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000000092390 169533356 /nfs/dbraw/zinc/53/33/56/169533356.db2.gz LBTYZBRVLVNLHU-UHFFFAOYSA-N 0 0 286.287 3.170 50 5 CGBARN COc1ccc(C)cc1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000000295775 169600289 /nfs/dbraw/zinc/60/02/89/169600289.db2.gz RWBWXSPPILRSDY-UHFFFAOYSA-N 0 0 286.287 3.164 50 5 CGBARN Cc1c(-c2nnc(-c3ccco3)o2)cccc1[N+](=O)[O-] ZINC000000314616 169606189 /nfs/dbraw/zinc/60/61/89/169606189.db2.gz SWVKTTPIOXHLMF-UHFFFAOYSA-N 0 0 271.232 3.213 50 5 CGBARN Cc1c(C(=O)Nc2ccc(N(C)C)cc2)cccc1[N+](=O)[O-] ZINC000000447414 169642910 /nfs/dbraw/zinc/64/29/10/169642910.db2.gz NXBANSPCSVMLAS-UHFFFAOYSA-N 0 0 299.330 3.222 50 5 CGBARN Cn1cnc([N+](=O)[O-])c1Oc1ccc2ccccc2c1 ZINC000000493884 169655748 /nfs/dbraw/zinc/65/57/48/169655748.db2.gz QSHVRKJQAHHUCK-UHFFFAOYSA-N 0 0 269.260 3.274 50 5 CGBARN O=[N+]([O-])c1ccc(-c2cnc3ccccc3n2)cc1 ZINC000000233133 285104340 /nfs/dbraw/zinc/10/43/40/285104340.db2.gz KINUCWHRJPFQQY-UHFFFAOYSA-N 0 0 251.245 3.205 50 5 CGBARN O=[N+]([O-])c1ccc(/C=C2\COc3ccccc3[C@H]2O)cc1 ZINC000004060904 285108331 /nfs/dbraw/zinc/10/83/31/285108331.db2.gz DACYHABIILPYLA-YHVDPYDOSA-N 0 0 283.283 3.104 50 5 CGBARN Cn1cc([N+](=O)[O-])c(Oc2cccc(C(F)(F)F)c2)n1 ZINC000095098487 184944615 /nfs/dbraw/zinc/94/46/15/184944615.db2.gz FAENGZJGHZPJCW-UHFFFAOYSA-N 0 0 287.197 3.139 50 5 CGBARN O=[N+]([O-])c1cccc(C2=NOc3cc(Cl)ccc3N2)c1 ZINC000001511563 169710613 /nfs/dbraw/zinc/71/06/13/169710613.db2.gz STKAAESXVDWBCA-UHFFFAOYSA-N 0 0 289.678 3.414 50 5 CGBARN Cc1cccc(C)c1N1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000000124891 391905440 /nfs/dbraw/zinc/90/54/40/391905440.db2.gz HEMNMVRZSYQCJL-UHFFFAOYSA-N 0 0 296.282 3.012 50 5 CGBARN O=C1Nc2ccccc2/C1=C\c1cccc([N+](=O)[O-])c1 ZINC000012339631 391929945 /nfs/dbraw/zinc/92/99/45/391929945.db2.gz BZWZITZVOQYHCA-UKTHLTGXSA-N 0 0 266.256 3.088 50 5 CGBARN O=[N+]([O-])c1cc(CNc2cc(CO)ccc2Cl)cs1 ZINC000096427502 392253931 /nfs/dbraw/zinc/25/39/31/392253931.db2.gz NTURFCJVMXMYNX-UHFFFAOYSA-N 0 0 298.751 3.414 50 5 CGBARN O=[N+]([O-])c1ccc(OC(F)(F)F)c(Br)c1 ZINC000002541330 296508283 /nfs/dbraw/zinc/50/82/83/296508283.db2.gz LVTAFGFYMLODQP-UHFFFAOYSA-N 0 0 286.003 3.256 50 5 CGBARN COc1ccc(C(=O)N2[C@H](C)CCC[C@H]2C)cc1[N+](=O)[O-] ZINC000004775566 286284900 /nfs/dbraw/zinc/28/49/00/286284900.db2.gz PZNYTOIGWDZUJP-GHMZBOCLSA-N 0 0 292.335 3.007 50 5 CGBARN Cc1ccc([N+](=O)[O-])c(-c2nc3ccccc3c(=O)o2)c1 ZINC000000067344 292281468 /nfs/dbraw/zinc/28/14/68/292281468.db2.gz PYVJIDZIDTXIKW-UHFFFAOYSA-N 0 0 282.255 3.072 50 5 CGBARN CC(=O)Nc1ncc(Sc2ccc([N+](=O)[O-])cc2)s1 ZINC000001698819 169744885 /nfs/dbraw/zinc/74/48/85/169744885.db2.gz YKTLZNQOOIRKMH-UHFFFAOYSA-N 0 0 295.345 3.161 50 5 CGBARN Cc1cc([N+](=O)[O-])nn1Cc1c(Cl)cccc1Cl ZINC000002388612 169790505 /nfs/dbraw/zinc/79/05/05/169790505.db2.gz ZCKROLPWLOOPLD-UHFFFAOYSA-N 0 0 286.118 3.455 50 5 CGBARN CCCCCCOC(=O)c1cccc([N+](=O)[O-])c1 ZINC000002963822 169846181 /nfs/dbraw/zinc/84/61/81/169846181.db2.gz VGRRRDVLGXQNFG-UHFFFAOYSA-N 0 0 251.282 3.332 50 5 CGBARN Cc1cc(C(=O)Nc2ccccc2[N+](=O)[O-])cs1 ZINC000004749232 170011004 /nfs/dbraw/zinc/01/10/04/170011004.db2.gz MVXFVKDLDTUZND-UHFFFAOYSA-N 0 0 262.290 3.217 50 5 CGBARN COc1ccccc1Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000004786601 170017716 /nfs/dbraw/zinc/01/77/16/170017716.db2.gz MSTPRMHOPCALQB-UHFFFAOYSA-N 0 0 289.247 3.255 50 5 CGBARN Cc1ccc(/C=C\C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)o1 ZINC000006088764 170175219 /nfs/dbraw/zinc/17/52/19/170175219.db2.gz MYMQCJLDJAHGQF-ALCCZGGFSA-N 0 0 290.250 3.287 50 5 CGBARN Cc1csc2nc(-c3ccc([N+](=O)[O-])cc3)cn12 ZINC000006315380 170190517 /nfs/dbraw/zinc/19/05/17/170190517.db2.gz UZZMSDAZUUEXEY-UHFFFAOYSA-N 0 0 259.290 3.279 50 5 CGBARN Cc1[nH]nc(Nc2cccc(Cl)c2C)c1[N+](=O)[O-] ZINC000008994382 170361024 /nfs/dbraw/zinc/36/10/24/170361024.db2.gz XUACXNMCCDZZNB-UHFFFAOYSA-N 0 0 266.688 3.332 50 5 CGBARN C[C@@H](NC(=O)Nc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000009219374 170367130 /nfs/dbraw/zinc/36/71/30/170367130.db2.gz XPVWEUHZNFZKMT-LLVKDONJSA-N 0 0 285.303 3.478 50 5 CGBARN O=[N+]([O-])c1ccc2nc(SCc3ccno3)sc2c1 ZINC000009254127 170368563 /nfs/dbraw/zinc/36/85/63/170368563.db2.gz JANDBNHMGCCQFY-UHFFFAOYSA-N 0 0 293.329 3.485 50 5 CGBARN CCn1nc(C)cc1C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000044125651 175144044 /nfs/dbraw/zinc/14/40/44/175144044.db2.gz LQCJGNHFQJWJSL-UHFFFAOYSA-N 0 0 293.710 3.004 50 5 CGBARN O=C1Nc2ccccc2/C1=C/c1csc([N+](=O)[O-])c1 ZINC000048578976 416453280 /nfs/dbraw/zinc/45/32/80/416453280.db2.gz LRBYHOIHYZMCON-YHYXMXQVSA-N 0 0 272.285 3.149 50 5 CGBARN CCCN1c2ccc([N+](=O)[O-])c3cccc(c23)C1=O ZINC000041124585 276014595 /nfs/dbraw/zinc/01/45/95/276014595.db2.gz SLXAPFKAYRZQQD-UHFFFAOYSA-N 0 0 256.261 3.118 50 5 CGBARN CC1CCN(c2cc(N)c(Cl)cc2[N+](=O)[O-])CC1 ZINC000004844877 276199679 /nfs/dbraw/zinc/19/96/79/276199679.db2.gz BFOVODCOLWZLSX-UHFFFAOYSA-N 0 0 269.732 3.067 50 5 CGBARN Cc1cc(Cl)c(Br)c([N+](=O)[O-])c1 ZINC000199752175 278691276 /nfs/dbraw/zinc/69/12/76/278691276.db2.gz FOKNPAQAGGMCBF-UHFFFAOYSA-N 0 0 250.479 3.319 50 5 CGBARN O=[N+]([O-])c1ccc(Br)c(Br)c1 ZINC000001712615 280362872 /nfs/dbraw/zinc/36/28/72/280362872.db2.gz DLLDRYLYVHKDKK-UHFFFAOYSA-N 0 0 280.903 3.120 50 5 CGBARN Cc1ccc2c(c1)NC(=O)c1ccc([N+](=O)[O-])cc1O2 ZINC000015084198 281078056 /nfs/dbraw/zinc/07/80/56/281078056.db2.gz MWYYFYIGUBYPEP-UHFFFAOYSA-N 0 0 270.244 3.261 50 5 CGBARN Cc1ccc2c(c1)NC(=O)c1cccc([N+](=O)[O-])c1CO2 ZINC000001390729 281078212 /nfs/dbraw/zinc/07/82/12/281078212.db2.gz YEGSPVARVMRMAU-UHFFFAOYSA-N 0 0 284.271 3.048 50 5 CGBARN Cc1cccc(C)c1NC(=O)c1ccccc1[N+](=O)[O-] ZINC000000053929 281211315 /nfs/dbraw/zinc/21/13/15/281211315.db2.gz WKUWPDCXHHCYTC-UHFFFAOYSA-N 0 0 270.288 3.464 50 5 CGBARN Cc1cccc(N2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)c1C ZINC000005548651 281223997 /nfs/dbraw/zinc/22/39/97/281223997.db2.gz HBTNDBONRRZDNC-UHFFFAOYSA-N 0 0 296.282 3.012 50 5 CGBARN O=[N+]([O-])c1cc2ccc1CCc1ccc(cc1)CC2 ZINC000003122311 304801320 /nfs/dbraw/zinc/80/13/20/304801320.db2.gz AQTVUYPMQTWGJZ-UHFFFAOYSA-N 0 0 253.301 3.479 50 5 CGBARN O=[N+]([O-])c1cc(-c2cc[nH]n2)c(Cl)cc1Cl ZINC000000431964 344855136 /nfs/dbraw/zinc/85/51/36/344855136.db2.gz BZQUXLGFCRUGSJ-UHFFFAOYSA-N 0 0 258.064 3.292 50 5 CGBARN C[C@@H](Nc1cc(N)ccc1[N+](=O)[O-])[C@@H]1COc2ccccc21 ZINC000193487847 138483197 /nfs/dbraw/zinc/48/31/97/138483197.db2.gz IVRQMSJLISFNCG-MFKMUULPSA-N 0 0 299.330 3.154 50 5 CGBARN COC(=O)c1ccccc1Oc1ccc([N+](=O)[O-])cc1 ZINC000000168896 368307297 /nfs/dbraw/zinc/30/72/97/368307297.db2.gz PVVIPSBIFWHOIX-UHFFFAOYSA-N 0 0 273.244 3.174 50 5 CGBARN Cc1ccc(Cl)cc1NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000000259774 368327242 /nfs/dbraw/zinc/32/72/42/368327242.db2.gz ZDBKYMDCZATYMI-UHFFFAOYSA-N 0 0 280.667 3.402 50 5 CGBARN O=C(Nc1cccc(O)c1)c1cc([N+](=O)[O-])ccc1Cl ZINC000000268121 368329094 /nfs/dbraw/zinc/32/90/94/368329094.db2.gz KICNCWRVKCANQG-UHFFFAOYSA-N 0 0 292.678 3.206 50 5 CGBARN O=C(NCc1ccccc1)c1cc([N+](=O)[O-])ccc1Cl ZINC000000299923 368335436 /nfs/dbraw/zinc/33/54/36/368335436.db2.gz XHNKHLNFCWPFLM-UHFFFAOYSA-N 0 0 290.706 3.178 50 5 CGBARN COc1cccc(NC(=O)c2cccc([N+](=O)[O-])c2C)c1 ZINC000000311666 368339405 /nfs/dbraw/zinc/33/94/05/368339405.db2.gz CBEKKDJKXUXLEX-UHFFFAOYSA-N 0 0 286.287 3.164 50 5 CGBARN COc1c(C(C)(C)C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000001297642 368406226 /nfs/dbraw/zinc/40/62/26/368406226.db2.gz SUAUILGSCPYJCS-UHFFFAOYSA-N 0 0 268.269 3.118 50 5 in-vitro CGBARN O=C(CCNc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000002522052 368459973 /nfs/dbraw/zinc/45/99/73/368459973.db2.gz VHMXUCFMTFIYBP-UHFFFAOYSA-N 0 0 288.278 3.419 50 5 CGBARN CCCCNc1c2ccccc2sc(=O)c1[N+](=O)[O-] ZINC000003897545 368523618 /nfs/dbraw/zinc/52/36/18/368523618.db2.gz UPNQLLFJPFVYHB-UHFFFAOYSA-N 0 0 278.333 3.382 50 5 CGBARN O=C(Nc1ccc([N+](=O)[O-])cc1)[C@H]1C[C@H]1c1ccccc1 ZINC000004012180 368526182 /nfs/dbraw/zinc/52/61/82/368526182.db2.gz VQBXJAHKWCTDEL-GJZGRUSLSA-N 0 0 282.299 3.337 50 5 CGBARN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000003446950 368508180 /nfs/dbraw/zinc/50/81/80/368508180.db2.gz OBECSFWWJMNIFG-SNVBAGLBSA-N 0 0 288.278 3.225 50 5 CGBARN O=C(/C=C/c1ccco1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000004542443 368549827 /nfs/dbraw/zinc/54/98/27/368549827.db2.gz CSQGTADKDKYJBO-GQCTYLIASA-N 0 0 292.678 3.493 50 5 CGBARN Cc1cc(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c(C)o1 ZINC000012922978 368634714 /nfs/dbraw/zinc/63/47/14/368634714.db2.gz YNRCVECNYQAMIV-UHFFFAOYSA-N 0 0 278.239 3.196 50 5 CGBARN COc1cc([N+](=O)[O-])c(OC)c2c(C)cc(Cl)nc12 ZINC000015107292 368690897 /nfs/dbraw/zinc/69/08/97/368690897.db2.gz BTXLKFYUVVCBMC-UHFFFAOYSA-N 0 0 282.683 3.122 50 5 CGBARN O=C(N[C@H]1CCc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000016471661 368713669 /nfs/dbraw/zinc/71/36/69/368713669.db2.gz OMZVDYGWMSAVDI-HNNXBMFYSA-N 0 0 282.299 3.012 50 5 CGBARN Cc1ccc(CN(C)c2ccc([N+](=O)[O-])cn2)c(C)c1 ZINC000017281587 368729453 /nfs/dbraw/zinc/72/94/53/368729453.db2.gz DQKWUOBOOYKOMT-UHFFFAOYSA-N 0 0 271.320 3.243 50 5 CGBARN Cc1cc([C@@H]2CCCN2Cc2cccc([N+](=O)[O-])c2)no1 ZINC000027880236 368877424 /nfs/dbraw/zinc/87/74/24/368877424.db2.gz SAHDTBDSVUKSIV-HNNXBMFYSA-N 0 0 287.319 3.228 50 5 CGBARN Cc1noc(C)c1COc1c(C)ccc([N+](=O)[O-])c1C ZINC000029750882 368898710 /nfs/dbraw/zinc/89/87/10/368898710.db2.gz CJEZNIRGEUFEBZ-UHFFFAOYSA-N 0 0 276.292 3.395 50 5 CGBARN O=C(OCc1ccccc1)c1c(F)cccc1[N+](=O)[O-] ZINC000169725167 372631256 /nfs/dbraw/zinc/63/12/56/372631256.db2.gz TXLRWJUKZQXBCD-UHFFFAOYSA-N 0 0 275.235 3.091 50 5 CGBARN CCCOc1cc(Br)cc([N+](=O)[O-])c1 ZINC000261493444 190039336 /nfs/dbraw/zinc/03/93/36/190039336.db2.gz BFKORDRBSFVTGZ-UHFFFAOYSA-N 0 0 260.087 3.146 50 5 CGBARN CCCN(C(=O)c1ccoc1)c1cccc([N+](=O)[O-])c1 ZINC000194145311 375962951 /nfs/dbraw/zinc/96/29/51/375962951.db2.gz QJSLFNPKUSYAEO-UHFFFAOYSA-N 0 0 274.276 3.245 50 5 CGBARN O=[N+]([O-])c1cc(Br)cc(F)c1OC(F)F ZINC000263623429 190069987 /nfs/dbraw/zinc/06/99/87/190069987.db2.gz HKJWNJYKKDKUDW-UHFFFAOYSA-N 0 0 286.003 3.098 50 5 CGBARN O=[N+]([O-])c1cccc(SCCO[C@H]2CCCCO2)c1 ZINC000252487898 377630381 /nfs/dbraw/zinc/63/03/81/377630381.db2.gz IDNBNPKHMLVHNO-ZDUSSCGKSA-N 0 0 283.349 3.230 50 5 CGBARN O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccccc1Cl ZINC000000263422 169590758 /nfs/dbraw/zinc/59/07/58/169590758.db2.gz DYTPLSGORPKJIV-UHFFFAOYSA-N 0 0 290.706 3.429 50 5 CGBARN O=[N+]([O-])c1cc(C(F)(F)F)ccc1Br ZINC000000056813 285085200 /nfs/dbraw/zinc/08/52/00/285085200.db2.gz PESPBNYBZVIGRO-UHFFFAOYSA-N 0 0 270.004 3.376 50 5 CGBARN O=[N+]([O-])c1ccc(N2CCc3ccccc3C2)c([N+](=O)[O-])c1 ZINC000004181249 285132009 /nfs/dbraw/zinc/13/20/09/285132009.db2.gz OFCWRUWGWVDVSM-UHFFFAOYSA-N 0 0 299.286 3.066 50 5 CGBARN O=[N+]([O-])c1ccc2[nH]c(C(Cl)(Cl)Cl)nc2c1 ZINC000005294731 285147977 /nfs/dbraw/zinc/14/79/77/285147977.db2.gz NBBNANCVRJOGDU-UHFFFAOYSA-N 0 0 280.498 3.298 50 5 CGBARN O=[N+]([O-])c1ccccc1Cn1cnc2cc(F)c(F)cc21 ZINC000024425755 285162779 /nfs/dbraw/zinc/16/27/79/285162779.db2.gz WPLOLFNWPULWGN-UHFFFAOYSA-N 0 0 289.241 3.271 50 5 CGBARN O=[N+]([O-])c1ccccc1Oc1ncnc2ccccc21 ZINC000029161877 285165169 /nfs/dbraw/zinc/16/51/69/285165169.db2.gz JSDCONDZTIJHLP-UHFFFAOYSA-N 0 0 267.244 3.330 50 5 CGBARN O=c1cc(-c2ccc([N+](=O)[O-])cc2)c2ccc(O)cc2o1 ZINC000003286551 285216032 /nfs/dbraw/zinc/21/60/32/285216032.db2.gz RDKUUACFEGXQFP-UHFFFAOYSA-N 0 0 283.239 3.074 50 5 CGBARN Cc1cc(Cl)ccc1Oc1c([N+](=O)[O-])ncn1C ZINC000008317451 291908350 /nfs/dbraw/zinc/90/83/50/291908350.db2.gz SFYMXFPAZOCZDP-UHFFFAOYSA-N 0 0 267.672 3.082 50 5 CGBARN O=c1oc2ccc([N+](=O)[O-])cc2cc1-c1ccccc1 ZINC000000295378 285228468 /nfs/dbraw/zinc/22/84/68/285228468.db2.gz NZIIZXLAGCTAMA-UHFFFAOYSA-N 0 0 267.240 3.368 50 5 CGBARN C[C@@H](C(=O)N1CCc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000000471393 533219853 /nfs/dbraw/zinc/21/98/53/533219853.db2.gz TWCXXEZTIUGOES-GFCCVEGCSA-N 0 0 296.326 3.288 50 5 CGBARN Cc1ccc(Br)c([N+](=O)[O-])c1Cl ZINC000261494027 292042937 /nfs/dbraw/zinc/04/29/37/292042937.db2.gz ODOWLIUOMPYMQT-UHFFFAOYSA-N 0 0 250.479 3.319 50 5 CGBARN O=[N+]([O-])c1ccccc1-c1nnc(-c2ccc(F)cc2)o1 ZINC000000039019 296513591 /nfs/dbraw/zinc/51/35/91/296513591.db2.gz VUGSBBONIJVDGZ-UHFFFAOYSA-N 0 0 285.234 3.451 50 5 CGBARN COc1ccc(NC(=O)/C=C/c2ccccc2)c([N+](=O)[O-])c1 ZINC000003960877 169926919 /nfs/dbraw/zinc/92/69/19/169926919.db2.gz DGHSMVHVDXJBQT-JXMROGBWSA-N 0 0 298.298 3.255 50 5 CGBARN COc1cccc(-c2noc(-c3cccc([N+](=O)[O-])c3)n2)c1 ZINC000004811018 170020938 /nfs/dbraw/zinc/02/09/38/170020938.db2.gz ZYAFJLLOMLJIDS-UHFFFAOYSA-N 0 0 297.270 3.320 50 5 CGBARN CCN(CC)C(=O)c1cccc2nc3ccccc3nc21 ZINC000004812302 170021022 /nfs/dbraw/zinc/02/10/22/170021022.db2.gz VXZGOBWBPXAOON-UHFFFAOYSA-N 0 0 279.343 3.265 50 5 CGBARN COc1ccc(Nc2ncnc3ccccc32)c([N+](=O)[O-])c1 ZINC000004858701 170032346 /nfs/dbraw/zinc/03/23/46/170032346.db2.gz MNGBHRWJFAQHMH-UHFFFAOYSA-N 0 0 296.286 3.290 50 5 CGBARN CCCC(=O)Nc1ccc(NC(=O)CCC)c([N+](=O)[O-])c1 ZINC000005125450 170068200 /nfs/dbraw/zinc/06/82/00/170068200.db2.gz OREXPXYDKUTUCE-UHFFFAOYSA-N 0 0 293.323 3.072 50 5 CGBARN O=C(CSc1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000005775109 170139575 /nfs/dbraw/zinc/13/95/75/170139575.db2.gz NCVNKLMLDRLHJN-UHFFFAOYSA-N 0 0 288.328 3.326 50 5 CGBARN Cc1nc2cc(NC(=O)c3ccc([N+](=O)[O-])cc3)ccc2o1 ZINC000007036583 170263499 /nfs/dbraw/zinc/26/34/99/170263499.db2.gz CJPPQKGGZBTGRO-UHFFFAOYSA-N 0 0 297.270 3.297 50 5 CGBARN O=C(Nc1cc(F)ccc1F)c1ccccc1[N+](=O)[O-] ZINC000007649243 170295494 /nfs/dbraw/zinc/29/54/94/170295494.db2.gz WTYNUBWFSWCTDY-UHFFFAOYSA-N 0 0 278.214 3.125 50 5 CGBARN O=[N+]([O-])c1ccc(OCc2cc(-c3ccco3)on2)cc1 ZINC000007889733 170306549 /nfs/dbraw/zinc/30/65/49/170306549.db2.gz GPIDDYXNQJTUJW-UHFFFAOYSA-N 0 0 286.243 3.422 50 5 CGBARN Cc1cccc(C)c1NC(=O)CNc1cccc([N+](=O)[O-])c1 ZINC000007954138 170309486 /nfs/dbraw/zinc/30/94/86/170309486.db2.gz VGGJUTWSHQKXBK-UHFFFAOYSA-N 0 0 299.330 3.262 50 5 CGBARN O=[N+]([O-])c1cccc(NCc2nc(-c3ccccc3)no2)c1 ZINC000008194363 170323749 /nfs/dbraw/zinc/32/37/49/170323749.db2.gz JBDBJKLXRNMXCR-UHFFFAOYSA-N 0 0 296.286 3.257 50 5 CGBARN O=[N+]([O-])c1c(Nc2ccc(F)cc2)nc2sccn21 ZINC000008308411 170329950 /nfs/dbraw/zinc/32/99/50/170329950.db2.gz WHVYLCSZCIMSAE-UHFFFAOYSA-N 0 0 278.268 3.187 50 5 CGBARN Cc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)c(F)c1 ZINC000008406575 170335300 /nfs/dbraw/zinc/33/53/00/170335300.db2.gz SNUWUHFJILTYKY-UHFFFAOYSA-N 0 0 274.251 3.295 50 5 CGBARN C[C@H](Nc1ncccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000024107038 171431978 /nfs/dbraw/zinc/43/19/78/171431978.db2.gz DAOYGDOHOCGFMB-VIFPVBQESA-N 0 0 261.256 3.302 50 5 CGBARN CC[C@@H](Cc1ccccc1)N(C)c1ccc([N+](=O)[O-])cn1 ZINC000076061189 176894981 /nfs/dbraw/zinc/89/49/81/176894981.db2.gz OZUCMCZUTTVGJY-AWEZNQCLSA-N 0 0 285.347 3.447 50 5 CGBARN Cc1cc(CSCCOc2cccc([N+](=O)[O-])c2)on1 ZINC000078555613 177353973 /nfs/dbraw/zinc/35/39/73/177353973.db2.gz XGTJVQVVMQUDJZ-UHFFFAOYSA-N 0 0 294.332 3.203 50 5 CGBARN O=[N+]([O-])c1ccc(Oc2nncc3ccccc32)cc1 ZINC000004530384 275037340 /nfs/dbraw/zinc/03/73/40/275037340.db2.gz BFRSHGKXRVBJNA-UHFFFAOYSA-N 0 0 267.244 3.330 50 5 CGBARN C[C@H]1Cc2ccccc2N1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000002872876 278505053 /nfs/dbraw/zinc/50/50/53/278505053.db2.gz JDONOQNNECXBQI-LBPRGKRZSA-N 0 0 296.326 3.115 50 5 CGBARN O=[N+]([O-])c1ccc(OCc2nc3ccccc3o2)cc1 ZINC000008131919 280369211 /nfs/dbraw/zinc/36/92/11/280369211.db2.gz DXVRCEGXPSZLPU-UHFFFAOYSA-N 0 0 270.244 3.315 50 5 CGBARN Cc1ccc(-c2cn3cc([N+](=O)[O-])ccc3n2)cc1 ZINC000000387320 280720010 /nfs/dbraw/zinc/72/00/10/280720010.db2.gz OXZAYLSFLAKDTK-UHFFFAOYSA-N 0 0 253.261 3.218 50 5 CGBARN CN1c2ccc([N+](=O)[O-])cc2N(C)[C@@]1(C)c1ccccc1 ZINC000004793600 290319144 /nfs/dbraw/zinc/31/91/44/290319144.db2.gz OWUUZSMCTWKDQE-INIZCTEOSA-N 0 0 283.331 3.354 50 5 CGBARN C[C@H](Nc1ccc([N+](=O)[O-])cn1)c1ccc(F)cc1 ZINC000012781092 518183604 /nfs/dbraw/zinc/18/36/04/518183604.db2.gz TYFCDSYWYUNOLJ-VIFPVBQESA-N 0 0 261.256 3.302 50 5 CGBARN COc1cccc2cc(-c3ccc([N+](=O)[O-])cc3)c(=O)oc21 ZINC000000034974 368273277 /nfs/dbraw/zinc/27/32/77/368273277.db2.gz UEQZBWZNEQUUQA-UHFFFAOYSA-N 0 0 297.266 3.377 50 5 CGBARN Cc1c(NC(=O)c2ccccc2)cccc1[N+](=O)[O-] ZINC000000038670 368274773 /nfs/dbraw/zinc/27/47/73/368274773.db2.gz QAKZIXNHKYUBMJ-UHFFFAOYSA-N 0 0 256.261 3.156 50 5 CGBARN CC(C)Oc1cccc(NC(=O)c2ccc([N+](=O)[O-])o2)c1 ZINC000000105797 368291229 /nfs/dbraw/zinc/29/12/29/368291229.db2.gz FNZXOJFDNVERFA-UHFFFAOYSA-N 0 0 290.275 3.227 50 5 CGBARN NC(=O)c1ccc(Oc2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000000118709 368294501 /nfs/dbraw/zinc/29/45/01/368294501.db2.gz LAISWSJYBIMFCI-UHFFFAOYSA-N 0 0 292.678 3.139 50 5 CGBARN CC(C)=CC(=O)Nc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000000145664 368301955 /nfs/dbraw/zinc/30/19/55/368301955.db2.gz MYARLIGRFLDRPX-UHFFFAOYSA-N 0 0 277.305 3.109 50 5 CGBARN COc1cc(Sc2ccccc2[N+](=O)[O-])ccc1N ZINC000000446467 368369279 /nfs/dbraw/zinc/36/92/79/368369279.db2.gz NABYJASVNMEUOX-UHFFFAOYSA-N 0 0 276.317 3.337 50 5 CGBARN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NC1CCCCC1 ZINC000000290711 368333285 /nfs/dbraw/zinc/33/32/85/368333285.db2.gz JNSHNRHCOAADIC-DHZHZOJOSA-N 0 0 274.320 3.057 50 5 CGBARN Cc1cc(C(=O)Nc2cccc(F)c2)ccc1[N+](=O)[O-] ZINC000000284832 368333562 /nfs/dbraw/zinc/33/35/62/368333562.db2.gz SGJNUXPFEKYJJB-UHFFFAOYSA-N 0 0 274.251 3.295 50 5 CGBARN Cc1c(C(=O)Nc2ccccc2)cccc1[N+](=O)[O-] ZINC000000300557 368335740 /nfs/dbraw/zinc/33/57/40/368335740.db2.gz SBXYFMDZLFADHT-UHFFFAOYSA-N 0 0 256.261 3.156 50 5 CGBARN Cc1ccccc1C(=O)Oc1ccccc1[N+](=O)[O-] ZINC000000358433 368346796 /nfs/dbraw/zinc/34/67/96/368346796.db2.gz SNUMYQVJVGGWKM-UHFFFAOYSA-N 0 0 257.245 3.122 50 5 CGBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)NCc1ccccc1 ZINC000001753388 368437741 /nfs/dbraw/zinc/43/77/41/368437741.db2.gz UAAGDTDBDFRSRT-UHFFFAOYSA-N 0 0 285.303 3.225 50 5 CGBARN O=[N+]([O-])c1ccccc1CCc1ccccc1[N+](=O)[O-] ZINC000001760649 368437919 /nfs/dbraw/zinc/43/79/19/368437919.db2.gz YBOZRPPSBVIHGJ-UHFFFAOYSA-N 0 0 272.260 3.288 50 5 CGBARN Cc1ccc([N+](=O)[O-])c(C(=N)c2ccccc2)c1[N+](=O)[O-] ZINC000002519763 368460276 /nfs/dbraw/zinc/46/02/76/368460276.db2.gz INMSCVMTOSHYFU-UHFFFAOYSA-N 0 0 285.259 3.228 50 5 CGBARN CCN(c1ccccc1)c1ccc2nonc2c1[N+](=O)[O-] ZINC000004116724 368532503 /nfs/dbraw/zinc/53/25/03/368532503.db2.gz GZVQZOYBGNQROL-UHFFFAOYSA-N 0 0 284.275 3.289 50 5 CGBARN CC(C)C(=O)Nc1ccc2ccccc2c1[N+](=O)[O-] ZINC000004659216 368554521 /nfs/dbraw/zinc/55/45/21/368554521.db2.gz RSEZQKDSZKFFIU-UHFFFAOYSA-N 0 0 258.277 3.343 50 5 CGBARN O=[N+]([O-])c1c2nsnc2ccc1Nc1ccccc1 ZINC000004347577 368542816 /nfs/dbraw/zinc/54/28/16/368542816.db2.gz ZCTSOZPVFJMOQS-UHFFFAOYSA-N 0 0 272.289 3.343 50 5 CGBARN COc1ccc([C@@H](C)N(C)c2ccc([N+](=O)[O-])cn2)cc1 ZINC000013011904 368641376 /nfs/dbraw/zinc/64/13/76/368641376.db2.gz LNPASEHCUGVLJC-LLVKDONJSA-N 0 0 287.319 3.196 50 5 CGBARN C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)[C@@H]1CC=CCC1 ZINC000032772655 368944363 /nfs/dbraw/zinc/94/43/63/368944363.db2.gz YCBNMGSERKZSJD-CHWSQXEVSA-N 0 0 288.347 3.471 50 5 CGBARN Cc1nc(-c2ccc(-c3cccc([N+](=O)[O-])c3)o2)no1 ZINC000036636056 369023402 /nfs/dbraw/zinc/02/34/02/369023402.db2.gz WCWHABKGLPXWAZ-UHFFFAOYSA-N 0 0 271.232 3.213 50 5 CGBARN Cc1cccc(N2CCN(c3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000040152095 369152086 /nfs/dbraw/zinc/15/20/86/369152086.db2.gz UFOQUOYDRKSNIA-UHFFFAOYSA-N 0 0 297.358 3.230 50 5 CGBARN Cc1cc(CSCCOc2ccc([N+](=O)[O-])cc2)on1 ZINC000069813540 369772295 /nfs/dbraw/zinc/77/22/95/369772295.db2.gz MSZAIWQROOLVKT-UHFFFAOYSA-N 0 0 294.332 3.203 50 5 CGBARN Cc1ccncc1NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000069777416 369772560 /nfs/dbraw/zinc/77/25/60/369772560.db2.gz GDMDGDBEERKOML-UHFFFAOYSA-N 0 0 291.694 3.204 50 5 CGBARN CCc1cnc([C@H](C)Nc2ccc([N+](=O)[O-])cn2)s1 ZINC000079021845 369960188 /nfs/dbraw/zinc/96/01/88/369960188.db2.gz RAMJSXSMKZEVFO-QMMMGPOBSA-N 0 0 278.337 3.182 50 5 CGBARN CCn1cc2[nH]c3c(ccc4ccccc43)cc-2c1=O ZINC000096319277 370210950 /nfs/dbraw/zinc/21/09/50/370210950.db2.gz JGIHZNJYYWJQHH-UHFFFAOYSA-N 0 0 262.312 3.364 50 5 CGBARN Cc1cc([N+](=O)[O-])ccc1NC[C@@H]1CCO[C@@H](C)C1 ZINC000095458010 370196258 /nfs/dbraw/zinc/19/62/58/370196258.db2.gz VMSRFJAESGQCHN-NWDGAFQWSA-N 0 0 264.325 3.130 50 5 CGBARN COc1ccc(CNc2ccc([N+](=O)[O-])cc2C=O)cc1 ZINC000169725158 372631040 /nfs/dbraw/zinc/63/10/40/372631040.db2.gz UTSBAXDURLVUJL-UHFFFAOYSA-N 0 0 286.287 3.028 50 5 CGBARN O=[N+]([O-])c1cc(F)ccc1OCCC(F)(F)F ZINC000169725311 372631433 /nfs/dbraw/zinc/63/14/33/372631433.db2.gz JYQOXBJUAGKDGK-UHFFFAOYSA-N 0 0 253.151 3.065 50 5 CGBARN O=C(c1ccc([N+](=O)[O-])cc1)N1CCC[C@H]2CCCC[C@@H]21 ZINC000001020910 296226229 /nfs/dbraw/zinc/22/62/29/296226229.db2.gz UIFLHGMKOCKTAP-DOMZBBRYSA-N 0 0 288.347 3.390 50 5 CGBARN Cc1cc(C(=O)N2C[C@H](C)C[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000000102150 169536945 /nfs/dbraw/zinc/53/69/45/169536945.db2.gz YQVFNVMYAHQUOB-GHMZBOCLSA-N 0 0 276.336 3.021 50 5 CGBARN COC(=O)c1sccc1Oc1ccc([N+](=O)[O-])cc1F ZINC000000166262 169560457 /nfs/dbraw/zinc/56/04/57/169560457.db2.gz XMCDPEXMZJSAEQ-UHFFFAOYSA-N 0 0 297.263 3.374 50 5 CGBARN Cn1c2ccc([N+](=O)[O-])cc2c(-c2ccccc2)c1CO ZINC000000204361 169573878 /nfs/dbraw/zinc/57/38/78/169573878.db2.gz GNJUKVGDCUKDLF-UHFFFAOYSA-N 0 0 282.299 3.246 50 5 in-vitro CGBARN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccc(F)cc1 ZINC000000290701 169598753 /nfs/dbraw/zinc/59/87/53/169598753.db2.gz XXBZDDVTRHYVKR-XCVCLJGOSA-N 0 0 286.262 3.386 50 5 CGBARN CC(C)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000443627 169642260 /nfs/dbraw/zinc/64/22/60/169642260.db2.gz ATCGJYDOZZZASO-UHFFFAOYSA-N 0 0 256.689 3.233 50 5 CGBARN CC(C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000000456737 169645667 /nfs/dbraw/zinc/64/56/67/169645667.db2.gz WTKCKOMVGGJHOW-UHFFFAOYSA-N 0 0 291.332 3.313 50 5 CGBARN O=[N+]([O-])c1cc([N+](=O)[O-])c(Cl)c(Cl)c1Cl ZINC000001694913 285097459 /nfs/dbraw/zinc/09/74/59/285097459.db2.gz WUMOEIUPWHYXBM-UHFFFAOYSA-N 0 0 271.443 3.463 50 5 CGBARN O=[N+]([O-])c1cc([N+](=O)[O-])c(N2CCCCC2)cc1Cl ZINC000003880484 285097680 /nfs/dbraw/zinc/09/76/80/285097680.db2.gz LDZJAUJVUYRWFC-UHFFFAOYSA-N 0 0 285.687 3.147 50 5 CGBARN C[C@]1([N+](=O)[O-])c2ccccc2-c2ccc([N+](=O)[O-])cc21 ZINC000003132303 391917018 /nfs/dbraw/zinc/91/70/18/391917018.db2.gz XLUGBGFQBCHCLL-AWEZNQCLSA-N 0 0 270.244 3.115 50 5 CGBARN CC(C)(C)OC(=O)N1CCc2cc([N+](=O)[O-])c(F)cc2C1 ZINC000095093103 392242560 /nfs/dbraw/zinc/24/25/60/392242560.db2.gz IVCDFWVDZIWGOZ-UHFFFAOYSA-N 0 0 296.298 3.027 50 5 CGBARN O=[N+]([O-])c1ccc(C(F)(F)F)cc1-n1cccc1 ZINC000095919688 296503410 /nfs/dbraw/zinc/50/34/10/296503410.db2.gz KPOPVSLUOJEEBR-UHFFFAOYSA-N 0 0 256.183 3.404 50 5 CGBARN O=c1oc(/C=C/c2cccc([N+](=O)[O-])c2)nc2ccccc12 ZINC000003899911 169922525 /nfs/dbraw/zinc/92/25/25/169922525.db2.gz XBYFGHMONVRUBR-CMDGGOBGSA-N 0 0 294.266 3.267 50 5 CGBARN O=C(Nc1cc(F)cc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000004814479 170021903 /nfs/dbraw/zinc/02/19/03/170021903.db2.gz AQDCWOLRDVNHLH-UHFFFAOYSA-N 0 0 278.214 3.125 50 5 CGBARN CSc1nsc(SCc2ccc([N+](=O)[O-])cc2)n1 ZINC000004866565 170033382 /nfs/dbraw/zinc/03/33/82/170033382.db2.gz IHKXJIWNJLAEQT-UHFFFAOYSA-N 0 0 299.402 3.461 50 5 CGBARN Cc1cc(C)cc(C(=O)Nc2ccc([N+](=O)[O-])cc2)c1 ZINC000005013771 170055546 /nfs/dbraw/zinc/05/55/46/170055546.db2.gz CCZYYTZFZDWLQE-UHFFFAOYSA-N 0 0 270.288 3.464 50 5 CGBARN CCC(CC)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000005454704 170100569 /nfs/dbraw/zinc/10/05/69/170100569.db2.gz NDCPLZNMWUWDBD-UHFFFAOYSA-N 0 0 254.261 3.109 50 5 CGBARN O=[N+]([O-])c1ccc(NCc2ccccn2)c(Cl)c1 ZINC000008147292 170321502 /nfs/dbraw/zinc/32/15/02/170321502.db2.gz NAAIBDRBIDLPAN-UHFFFAOYSA-N 0 0 263.684 3.255 50 5 CGBARN COc1ccc(NCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000008701766 170346996 /nfs/dbraw/zinc/34/69/96/170346996.db2.gz SPQJLZSKAZBIJO-UHFFFAOYSA-N 0 0 258.277 3.216 50 5 CGBARN O=[N+]([O-])c1ccccc1Oc1ncnc2ccsc21 ZINC000009256879 170369476 /nfs/dbraw/zinc/36/94/76/170369476.db2.gz GRFRLHIEALBOIJ-UHFFFAOYSA-N 0 0 273.273 3.392 50 5 CGBARN CCNC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000009647254 170383617 /nfs/dbraw/zinc/38/36/17/170383617.db2.gz MTNVPAGUUIGCPS-UHFFFAOYSA-N 0 0 294.694 3.258 50 5 CGBARN Cc1ccc(CN(C)C(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC000009914031 170390421 /nfs/dbraw/zinc/39/04/21/170390421.db2.gz CTXOAIHSVNSZGO-UHFFFAOYSA-N 0 0 290.344 3.237 50 5 CGBARN O=[N+]([O-])c1ccc(NCCc2c[nH]c3ccccc23)nc1 ZINC000020135410 171023122 /nfs/dbraw/zinc/02/31/22/171023122.db2.gz IXUIAYLKMCDHLI-UHFFFAOYSA-N 0 0 282.303 3.126 50 5 CGBARN CCc1noc(-c2ccc(NC(C)C)c([N+](=O)[O-])c2)n1 ZINC000020897976 171278461 /nfs/dbraw/zinc/27/84/61/171278461.db2.gz TUCIQJNZXCYWAW-UHFFFAOYSA-N 0 0 276.296 3.028 50 5 CGBARN O=[N+]([O-])c1cccc(CSc2nc3ncccc3o2)c1 ZINC000020993759 171283895 /nfs/dbraw/zinc/28/38/95/171283895.db2.gz UOTZGDYUZZUPHQ-UHFFFAOYSA-N 0 0 287.300 3.423 50 5 CGBARN O=C(c1ccc([N+](=O)[O-])s1)N(Cc1ccco1)C1CC1 ZINC000040497017 174295142 /nfs/dbraw/zinc/29/51/42/174295142.db2.gz NGXGFSRVHBIKAB-UHFFFAOYSA-N 0 0 292.316 3.054 50 5 CGBARN Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 ZINC000052841864 175539210 /nfs/dbraw/zinc/53/92/10/175539210.db2.gz OKFFNHCCCNRROG-UHFFFAOYSA-N 0 0 252.320 3.390 50 5 CGBARN O=[N+]([O-])c1ccc2c(c1)ON=C(c1ccc(Cl)cc1)N2 ZINC000004982497 275037711 /nfs/dbraw/zinc/03/77/11/275037711.db2.gz CQFQPCVLOKLVGL-UHFFFAOYSA-N 0 0 289.678 3.414 50 5 CGBARN CCC(CC)N(C)c1ncc([N+](=O)[O-])cc1Cl ZINC000072310939 276210184 /nfs/dbraw/zinc/21/01/84/276210184.db2.gz HXBJJHULKMQPBG-UHFFFAOYSA-N 0 0 257.721 3.268 50 5 CGBARN C[C@@H]1CC(CCn2ccc(=O)c([N+](=O)[O-])c2)C[C@@H](C)C1 ZINC000096468047 278444659 /nfs/dbraw/zinc/44/46/59/278444659.db2.gz MFTNZGJUHJWDAT-RYUDHWBXSA-N 0 0 278.352 3.219 50 5 CGBARN Cc1c(Br)cc(Cl)cc1[N+](=O)[O-] ZINC000014983095 278582782 /nfs/dbraw/zinc/58/27/82/278582782.db2.gz PONMYPMRWXBYEV-UHFFFAOYSA-N 0 0 250.479 3.319 50 5 CGBARN O=[N+]([O-])c1ccc(Br)c(Br)c1F ZINC000263624185 280363081 /nfs/dbraw/zinc/36/30/81/280363081.db2.gz ODFWTDJLAFTAAX-UHFFFAOYSA-N 0 0 298.893 3.259 50 5 CGBARN O=[N+]([O-])c1ncc(Br)cc1Nc1ccccc1 ZINC000003880506 280383849 /nfs/dbraw/zinc/38/38/49/280383849.db2.gz ZRHTXLITAPBRDP-UHFFFAOYSA-N 0 0 294.108 3.496 50 5 CGBARN Cc1cc([N+](=O)[O-])ccc1NC(=O)c1ccccc1 ZINC000004600072 280662825 /nfs/dbraw/zinc/66/28/25/280662825.db2.gz HTHDLNDPJIVSCW-UHFFFAOYSA-N 0 0 256.261 3.156 50 5 CGBARN Cc1ccc(C(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc1 ZINC000005362986 280788574 /nfs/dbraw/zinc/78/85/74/280788574.db2.gz BVKJXQZBXGVYSS-UHFFFAOYSA-N 0 0 270.288 3.464 50 5 CGBARN COc1ccc(-c2ccc([N+](=O)[O-])c(F)c2)cc1C=O ZINC000725242698 570254635 /nfs/dbraw/zinc/25/46/35/570254635.db2.gz WFJYVCFJTKRYKE-UHFFFAOYSA-N 0 0 275.235 3.222 50 5 CGBARN Cc1cc(NC(=O)CCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000096494869 230383770 /nfs/dbraw/zinc/38/37/70/230383770.db2.gz LWMCFPYERPMMQW-UHFFFAOYSA-N 0 0 276.214 3.184 50 5 CGBARN C[C@H](C(=O)NCCc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000000471337 230366084 /nfs/dbraw/zinc/36/60/84/230366084.db2.gz RNQDJGLQALWBSA-ZDUSSCGKSA-N 0 0 298.342 3.057 50 5 CGBARN CNc1ccc(Br)c(Cl)c1[N+](=O)[O-] ZINC000231467960 346322568 /nfs/dbraw/zinc/32/25/68/346322568.db2.gz ABLKWBCLRYCIHE-UHFFFAOYSA-N 0 0 265.494 3.052 50 5 CGBARN Cc1c(NC(=O)N[C@H](C)C(C)(F)F)cccc1[N+](=O)[O-] ZINC000454208011 241011082 /nfs/dbraw/zinc/01/10/82/241011082.db2.gz WQOQRPVHIQPMRR-MRVPVSSYSA-N 0 0 287.266 3.068 50 5 CGBARN O=C(Nc1cccc(Cl)c1)c1ccc([N+](=O)[O-])o1 ZINC000000208163 368315666 /nfs/dbraw/zinc/31/56/66/368315666.db2.gz KZZRNKLESVOZGL-UHFFFAOYSA-N 0 0 266.640 3.094 50 5 CGBARN Cc1c(NC(=O)CCc2ccccc2)cccc1[N+](=O)[O-] ZINC000000038785 368274495 /nfs/dbraw/zinc/27/44/95/368274495.db2.gz OLDGYDSZPLUSHT-UHFFFAOYSA-N 0 0 284.315 3.475 50 5 CGBARN COc1ccc(/C=C/c2onc(C)c2[N+](=O)[O-])cc1 ZINC000000047004 368276587 /nfs/dbraw/zinc/27/65/87/368276587.db2.gz YTRXYZQOCQHIMO-VMPITWQZSA-N 0 0 260.249 3.070 50 5 CGBARN Cc1nn(C)c(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000000079543 368284010 /nfs/dbraw/zinc/28/40/10/368284010.db2.gz LNSQLXRGOAOYMI-UHFFFAOYSA-N 0 0 283.740 3.441 50 5 CGBARN O=[N+]([O-])c1ccc2c(c1)c(CO)cn2Cc1ccccc1 ZINC000000083094 368284501 /nfs/dbraw/zinc/28/45/01/368284501.db2.gz QRVGJGIVPYSMBO-UHFFFAOYSA-N 0 0 282.299 3.090 50 5 CGBARN O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc2ccccc2n1 ZINC000000243305 368323119 /nfs/dbraw/zinc/32/31/19/368323119.db2.gz ZTJHZHUSOHTFMM-UHFFFAOYSA-N 0 0 293.282 3.395 50 5 CGBARN Cc1cc(C)cc(Sc2c([N+](=O)[O-])ncn2C)c1 ZINC000000130310 368297283 /nfs/dbraw/zinc/29/72/83/368297283.db2.gz NYMZIPJNYMQIAU-UHFFFAOYSA-N 0 0 263.322 3.096 50 5 CGBARN Cc1cc(C)cc(OC(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000000129723 368297364 /nfs/dbraw/zinc/29/73/64/368297364.db2.gz HSVPQSQPHHVITQ-UHFFFAOYSA-N 0 0 271.272 3.431 50 5 CGBARN Cc1ccc(CNC(=O)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000000437339 368366772 /nfs/dbraw/zinc/36/67/72/368366772.db2.gz MBBWQCCEPLDAKC-UHFFFAOYSA-N 0 0 284.315 3.142 50 5 CGBARN O=Cc1cn(Cc2cccc([N+](=O)[O-])c2)c2ccccc12 ZINC000000454752 368370277 /nfs/dbraw/zinc/37/02/77/368370277.db2.gz QTPRVUJWBJZGNE-UHFFFAOYSA-N 0 0 280.283 3.410 50 5 CGBARN O=[N+]([O-])c1ccc(Cc2nc3ccccc3[nH]2)cc1 ZINC000000254802 368325926 /nfs/dbraw/zinc/32/59/26/368325926.db2.gz GDPNXLZOMJULAA-UHFFFAOYSA-N 0 0 253.261 3.062 50 5 CGBARN Cn1c2ccccc2n2cc(-c3ccc([N+](=O)[O-])cc3)nc12 ZINC000000275080 368330986 /nfs/dbraw/zinc/33/09/86/368330986.db2.gz IBVRCTVMEOHDDP-UHFFFAOYSA-N 0 0 292.298 3.401 50 5 CGBARN CCCCn1nnn2c1nc1cccc3cccc2c31 ZINC000002051070 368445745 /nfs/dbraw/zinc/44/57/45/368445745.db2.gz AEDPGAYTSMWLDT-UHFFFAOYSA-N 0 0 265.320 3.032 50 5 CGBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)NCCc1ccccc1 ZINC000001753389 368437767 /nfs/dbraw/zinc/43/77/67/368437767.db2.gz QKKUYSFNPDKJPE-UHFFFAOYSA-N 0 0 299.330 3.267 50 5 CGBARN Cc1cc([N+](=O)[O-])ccc1NC(=O)NCCc1ccccc1 ZINC000004583117 368551883 /nfs/dbraw/zinc/55/18/83/368551883.db2.gz KAZFVPYWGKVIEH-UHFFFAOYSA-N 0 0 299.330 3.267 50 5 CGBARN COc1ccccc1NC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000004278953 368540480 /nfs/dbraw/zinc/54/04/80/368540480.db2.gz NYZBTKAPBGEXEF-UHFFFAOYSA-N 0 0 286.287 3.164 50 5 CGBARN O=C(N[C@H](c1ccccc1)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000011201405 368588886 /nfs/dbraw/zinc/58/88/86/368588886.db2.gz HTPXWWPHMPCWPA-MRXNPFEDSA-N 0 0 296.326 3.476 50 5 CGBARN Cc1ccc(NC(=O)[C@H]2CC=CCC2)cc1[N+](=O)[O-] ZINC000014069904 368674489 /nfs/dbraw/zinc/67/44/89/368674489.db2.gz NYBBYCMUKRLJNK-NSHDSACASA-N 0 0 260.293 3.198 50 5 CGBARN CN(Cc1ccc(Cl)cc1)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000024664687 368834344 /nfs/dbraw/zinc/83/43/44/368834344.db2.gz KEWJIRFTUSKIEK-UHFFFAOYSA-N 0 0 294.694 3.113 50 5 CGBARN Cc1noc(C)c1CN(C)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000024862415 368836262 /nfs/dbraw/zinc/83/62/62/368836262.db2.gz BZBXAWWRPJVZRZ-NSHDSACASA-N 0 0 289.335 3.393 50 5 CGBARN Cn1cnc([N+](=O)[O-])c1Oc1ccc(C(F)(F)F)cc1 ZINC000025057206 368840040 /nfs/dbraw/zinc/84/00/40/368840040.db2.gz JMAMIUQZHQPEHY-UHFFFAOYSA-N 0 0 287.197 3.139 50 5 CGBARN CCCCN(C)C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000032719901 368941449 /nfs/dbraw/zinc/94/14/49/368941449.db2.gz SNWCGTDXVYPSNH-UHFFFAOYSA-N 0 0 270.716 3.120 50 5 CGBARN Cc1c(COc2ccccc2[N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000040116329 369151677 /nfs/dbraw/zinc/15/16/77/369151677.db2.gz QBCKZBWIPRSNDE-UHFFFAOYSA-N 0 0 288.259 3.390 50 5 CGBARN CCCNc1cc(F)c(Br)cc1[N+](=O)[O-] ZINC000065336884 369667951 /nfs/dbraw/zinc/66/79/51/369667951.db2.gz OQKJMCBZXPDHHY-UHFFFAOYSA-N 0 0 277.093 3.318 50 5 CGBARN CCN(Cc1ccccn1)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000089969315 370053732 /nfs/dbraw/zinc/05/37/32/370053732.db2.gz UPDCPWDBUJRPBO-UHFFFAOYSA-N 0 0 289.310 3.151 50 5 CGBARN CNc1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000090505400 370062169 /nfs/dbraw/zinc/06/21/69/370062169.db2.gz AECXJADMKJXBOY-UHFFFAOYSA-N 0 0 258.277 3.216 50 5 CGBARN C[C@@H](c1ncc(-c2ccccc2)o1)n1cc([N+](=O)[O-])cn1 ZINC000097048015 370219055 /nfs/dbraw/zinc/21/90/55/370219055.db2.gz GVVWDHOREBGQHL-JTQLQIEISA-N 0 0 284.275 3.056 50 5 CGBARN CC(=O)c1cc2c3ccccc3c(=O)oc2c(C)c1O ZINC000012894163 541852062 /nfs/dbraw/zinc/85/20/62/541852062.db2.gz LIBSKBZKSKRHRT-UHFFFAOYSA-N 0 0 268.268 3.163 50 5 biogenic CGBARN COc1ccc(-c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000139723592 371508558 /nfs/dbraw/zinc/50/85/58/371508558.db2.gz CGRZZYKBXNQLRB-UHFFFAOYSA-N 0 0 259.261 3.279 50 5 CGBARN Nc1nc(-c2cccs2)nc2c3ccccc3oc(=O)c12 ZINC000027829773 541856680 /nfs/dbraw/zinc/85/66/80/541856680.db2.gz AFKDSNLDNGZNEP-UHFFFAOYSA-N 0 0 295.323 3.047 50 5 CGBARN CC(C)n1cc(CNc2ccc(Cl)cc2[N+](=O)[O-])nn1 ZINC000312329444 374277452 /nfs/dbraw/zinc/27/74/52/374277452.db2.gz ZFSDLMBUHBELGV-UHFFFAOYSA-N 0 0 295.730 3.033 50 5 CGBARN COc1ccc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1 ZINC000000038726 169513496 /nfs/dbraw/zinc/51/34/96/169513496.db2.gz WXEBSAKWRQNIGE-BJMVGYQFSA-N 0 0 298.298 3.255 50 5 CGBARN CC(=O)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000000060058 169522000 /nfs/dbraw/zinc/52/20/00/169522000.db2.gz FGDYCHMZKTXMMN-UHFFFAOYSA-N 0 0 285.255 3.017 50 5 CGBARN C[C@@H](O)Cn1c2nc3ccccc3c-2nc2ccccc21 ZINC000409417380 380029919 /nfs/dbraw/zinc/02/99/19/380029919.db2.gz FONHEMQFRCXKFJ-LLVKDONJSA-N 0 0 277.327 3.070 50 5 CGBARN COc1ccc(Oc2sccc2[N+](=O)[O-])cc1 ZINC000000149634 169554865 /nfs/dbraw/zinc/55/48/65/169554865.db2.gz DVGAMLAKDMJDNO-UHFFFAOYSA-N 0 0 251.263 3.457 50 5 CGBARN O=[N+]([O-])c1ccc(Br)c(F)c1Br ZINC000021982384 285109766 /nfs/dbraw/zinc/10/97/66/285109766.db2.gz KAZRLIFDXCGVJS-UHFFFAOYSA-N 0 0 298.893 3.259 50 5 CGBARN CCO[S@@](=O)(=NC(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000238730586 393036455 /nfs/dbraw/zinc/03/64/55/393036455.db2.gz MUWRMYYTSYLBDP-LJQANCHMSA-N 0 0 286.353 3.172 50 5 CGBARN Cc1cc(C(=O)N2CCC[C@@H]2c2ccc[nH]2)ccc1[N+](=O)[O-] ZINC000058218040 397637661 /nfs/dbraw/zinc/63/76/61/397637661.db2.gz AQPLXYYHXRTHIZ-OAHLLOKOSA-N 0 0 299.330 3.209 50 5 CGBARN O=C(c1cccc(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000002559782 169809040 /nfs/dbraw/zinc/80/90/40/169809040.db2.gz GAEBFYZMMWAODI-UHFFFAOYSA-N 0 0 261.664 3.479 50 5 CGBARN O=C(OCc1ccc([N+](=O)[O-])cc1Cl)c1ccncc1 ZINC000004831944 170025783 /nfs/dbraw/zinc/02/57/83/170025783.db2.gz YFFQFKZVKITUMP-UHFFFAOYSA-N 0 0 292.678 3.000 50 5 CGBARN O=C(CCc1cccs1)Nc1cccc([N+](=O)[O-])c1 ZINC000004866323 170033423 /nfs/dbraw/zinc/03/34/23/170033423.db2.gz YWPKWJAVDZYXCY-UHFFFAOYSA-N 0 0 276.317 3.228 50 5 CGBARN COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCCCCC1 ZINC000005062947 170062602 /nfs/dbraw/zinc/06/26/02/170062602.db2.gz PQSBQLLYBIPIEH-UHFFFAOYSA-N 0 0 293.323 3.011 50 5 CGBARN Cc1ccc(Nc2ccc([N+](=O)[O-])c3nonc32)c(C)c1 ZINC000005277176 170081884 /nfs/dbraw/zinc/08/18/84/170081884.db2.gz LPFNHBCCIJLNND-UHFFFAOYSA-N 0 0 284.275 3.491 50 5 CGBARN Cc1ccc(F)cc1NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000005699233 170130568 /nfs/dbraw/zinc/13/05/68/170130568.db2.gz XHOAAJWWLWNDCA-UHFFFAOYSA-N 0 0 280.280 3.356 50 5 CGBARN Cc1cc(C)nc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)c1 ZINC000006280365 170188227 /nfs/dbraw/zinc/18/82/27/170188227.db2.gz SLXQLVPIXWVBEB-UHFFFAOYSA-N 0 0 285.303 3.167 50 5 CGBARN COc1ccc(Cl)cc1COc1cccnc1[N+](=O)[O-] ZINC000007202627 170271250 /nfs/dbraw/zinc/27/12/50/170271250.db2.gz QCXYOBZRGCMNIH-UHFFFAOYSA-N 0 0 294.694 3.231 50 5 CGBARN Cc1cc([N+](=O)[O-])ccc1NC(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000017022610 170722011 /nfs/dbraw/zinc/72/20/11/170722011.db2.gz IKHPEAQGRLJROV-PHIMTYICSA-N 0 0 291.351 3.413 50 5 CGBARN O=[N+]([O-])c1ccccc1Oc1nccc(C(F)(F)F)n1 ZINC000024052608 171430785 /nfs/dbraw/zinc/43/07/85/171430785.db2.gz YMKBYGWWMCYRQO-UHFFFAOYSA-N 0 0 285.181 3.196 50 5 CGBARN O=[N+]([O-])c1cccnc1NCC1(c2ccccc2)CC1 ZINC000032871921 171756913 /nfs/dbraw/zinc/75/69/13/171756913.db2.gz DNOPPUDTYBGNQS-UHFFFAOYSA-N 0 0 269.304 3.134 50 5 CGBARN Cc1ccc(NC(=O)NCc2ccccc2)cc1[N+](=O)[O-] ZINC000036392613 172630970 /nfs/dbraw/zinc/63/09/70/172630970.db2.gz OEGQWLYPFISXRK-UHFFFAOYSA-N 0 0 285.303 3.225 50 5 CGBARN CC(C)CNc1ccc([N+](=O)[O-])cc1Br ZINC000037131184 172974788 /nfs/dbraw/zinc/97/47/88/172974788.db2.gz GBTBBDVGUBCAIL-UHFFFAOYSA-N 0 0 273.130 3.425 50 5 CGBARN O=[N+]([O-])c1ccccc1N[C@H](CCO)c1ccccc1 ZINC000077238285 177237334 /nfs/dbraw/zinc/23/73/34/177237334.db2.gz VCKXJSHFFGFJPE-CYBMUJFWSA-N 0 0 272.304 3.130 50 5 CGBARN O=[N+]([O-])c1cnn(Cc2ccccc2Oc2cccnc2)c1 ZINC000077932048 177311643 /nfs/dbraw/zinc/31/16/43/177311643.db2.gz WGUJQYCAKWXDMJ-UHFFFAOYSA-N 0 0 296.286 3.027 50 5 CGBARN CC[C@H]1CCCCN1C(=O)c1cccc([N+](=O)[O-])c1C ZINC000000231408 276648765 /nfs/dbraw/zinc/64/87/65/276648765.db2.gz XDPDMMLKYXDWFN-LBPRGKRZSA-N 0 0 276.336 3.308 50 5 CGBARN C[C@H]1Cc2ccccc2N1c1ccc([N+](=O)[O-])cn1 ZINC000012528342 280032780 /nfs/dbraw/zinc/03/27/80/280032780.db2.gz NPCOQTRRRMABPF-JTQLQIEISA-N 0 0 255.277 3.073 50 5 CGBARN O=C1CCCc2occ(-c3ccc([N+](=O)[O-])cc3)c21 ZINC000000208918 280254379 /nfs/dbraw/zinc/25/43/79/280254379.db2.gz RKAJSRVADVNWBF-UHFFFAOYSA-N 0 0 257.245 3.374 50 5 CGBARN O=[N+]([O-])c1cc(Br)c(F)cc1Cl ZINC000074934295 280355696 /nfs/dbraw/zinc/35/56/96/280355696.db2.gz QVJCDJCNCFFOIC-UHFFFAOYSA-N 0 0 254.442 3.150 50 5 CGBARN Cc1ccc(NC(=O)c2ccccc2[N+](=O)[O-])c(C)c1 ZINC000000101882 280912457 /nfs/dbraw/zinc/91/24/57/280912457.db2.gz WGMMCHJMOXWGPL-UHFFFAOYSA-N 0 0 270.288 3.464 50 5 in-vivo CGBARN Cc1cc(Cl)cc([N+](=O)[O-])c1I ZINC000032914707 326898062 /nfs/dbraw/zinc/89/80/62/326898062.db2.gz WFRAPEVRKRASCC-UHFFFAOYSA-N 0 0 297.479 3.161 50 5 CGBARN CC1(C)C(C(=O)Nc2cccc([N+](=O)[O-])c2)C1(C)C ZINC000000327928 336185842 /nfs/dbraw/zinc/18/58/42/336185842.db2.gz AOTRNHJANWOAIO-UHFFFAOYSA-N 0 0 262.309 3.216 50 5 CGBARN Cc1csc(COc2cccc(C)c2[N+](=O)[O-])n1 ZINC000096484686 534820823 /nfs/dbraw/zinc/82/08/23/534820823.db2.gz WUCVIJQQNRPCIB-UHFFFAOYSA-N 0 0 264.306 3.247 50 5 CGBARN CC(=O)c1ccccc1NC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000008314377 527400425 /nfs/dbraw/zinc/40/04/25/527400425.db2.gz HTTWICUUJMRSMF-UHFFFAOYSA-N 0 0 298.298 3.358 50 5 CGBARN CCCC(=O)Nc1ccc2ccccc2c1[N+](=O)[O-] ZINC000075279073 345499589 /nfs/dbraw/zinc/49/95/89/345499589.db2.gz XYHNQDJOKBJSAU-UHFFFAOYSA-N 0 0 258.277 3.487 50 5 CGBARN Cc1csc([C@H](C)CNc2ncc([N+](=O)[O-])cc2C)n1 ZINC000273305428 192106759 /nfs/dbraw/zinc/10/67/59/192106759.db2.gz MLVRHZBFWGJOFM-SECBINFHSA-N 0 0 292.364 3.279 50 5 CGBARN O=[N+]([O-])c1ccc(-c2nnc(-c3ccccc3)[nH]2)cc1 ZINC000000198990 368313541 /nfs/dbraw/zinc/31/35/41/368313541.db2.gz CWVXCNAGIMKZGF-UHFFFAOYSA-N 0 0 266.260 3.047 50 5 CGBARN CC(C)(C)C(=O)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000060120 368280729 /nfs/dbraw/zinc/28/07/29/368280729.db2.gz NSTBUQQNZAXHAZ-UHFFFAOYSA-N 0 0 298.726 3.192 50 5 CGBARN CCOC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)oc1C ZINC000000113363 368293087 /nfs/dbraw/zinc/29/30/87/368293087.db2.gz ZOFJPHGCPKKPJE-UHFFFAOYSA-N 0 0 275.260 3.340 50 5 CGBARN O=C(CSC1=NCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000000172113 368308014 /nfs/dbraw/zinc/30/80/14/368308014.db2.gz BLUHIQDRYIXECP-UHFFFAOYSA-N 0 0 278.333 3.093 50 5 CGBARN O=[N+]([O-])c1ccc(-c2nc(Cc3ccccc3)no2)cc1 ZINC000000191628 368312829 /nfs/dbraw/zinc/31/28/29/368312829.db2.gz BHHBKRRLACCLIE-UHFFFAOYSA-N 0 0 281.271 3.236 50 5 CGBARN Cc1ccc(C(=O)Nc2ccc(F)cc2F)cc1[N+](=O)[O-] ZINC000000255446 368325261 /nfs/dbraw/zinc/32/52/61/368325261.db2.gz JLDNHZBCPWFBQU-UHFFFAOYSA-N 0 0 292.241 3.434 50 5 CGBARN CC(=O)c1cc(C)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 ZINC000000265336 368328160 /nfs/dbraw/zinc/32/81/60/368328160.db2.gz KLFPEVXZXKCSOU-UHFFFAOYSA-N 0 0 299.282 3.325 50 5 CGBARN O=C(/C=C/c1ccccc1[N+](=O)[O-])Nc1cccc(F)c1 ZINC000000463992 368372062 /nfs/dbraw/zinc/37/20/62/368372062.db2.gz QESALVYXBSHMKT-CMDGGOBGSA-N 0 0 286.262 3.386 50 5 CGBARN CC[C@H](C)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000373117 368351202 /nfs/dbraw/zinc/35/12/02/368351202.db2.gz AHMQEOKUCDUMMS-ZETCQYMHSA-N 0 0 256.689 3.233 50 5 CGBARN C[C@@H](Oc1ccccc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000000372735 368351573 /nfs/dbraw/zinc/35/15/73/368351573.db2.gz YTCOIZZJRBEEPI-LLVKDONJSA-N 0 0 286.287 3.001 50 5 CGBARN Cc1nn(Cc2c(F)cccc2Cl)c(C)c1[N+](=O)[O-] ZINC000000380112 368352891 /nfs/dbraw/zinc/35/28/91/368352891.db2.gz OSCBSQATNAVZAI-UHFFFAOYSA-N 0 0 283.690 3.249 50 5 CGBARN O=C(Nc1cccc([N+](=O)[O-])c1)OC1CCCCC1 ZINC000002170787 368448565 /nfs/dbraw/zinc/44/85/65/368448565.db2.gz KWQGYEUPMCYARW-UHFFFAOYSA-N 0 0 264.281 3.476 50 5 CGBARN COc1ccccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000002173449 368448977 /nfs/dbraw/zinc/44/89/77/368448977.db2.gz CNOFSCQPSLGPTR-UHFFFAOYSA-N 0 0 259.261 3.182 50 5 CGBARN O=C(Nc1cccs1)Nc1cccc([N+](=O)[O-])c1 ZINC000002908194 368485856 /nfs/dbraw/zinc/48/58/56/368485856.db2.gz IBTHNSTWRXPJGB-UHFFFAOYSA-N 0 0 263.278 3.300 50 5 CGBARN O=[N+]([O-])c1ccccc1CNc1ccc2n[nH]cc2c1 ZINC000003876212 368522538 /nfs/dbraw/zinc/52/25/38/368522538.db2.gz JGFNMTVHKQPZMI-UHFFFAOYSA-N 0 0 268.276 3.083 50 5 CGBARN Cc1ccc(Nc2c3nonc3ccc2[N+](=O)[O-])cc1C ZINC000003904286 368523321 /nfs/dbraw/zinc/52/33/21/368523321.db2.gz XANGKLCNIPLEDK-UHFFFAOYSA-N 0 0 284.275 3.491 50 5 CGBARN C[C@@H]1C[C@@H](C)CN(c2cc(N(C)C)c([N+](=O)[O-])cc2F)C1 ZINC000004300032 368542405 /nfs/dbraw/zinc/54/24/05/368542405.db2.gz JAHUOBQQBWGLIM-GHMZBOCLSA-N 0 0 295.358 3.282 50 5 CGBARN Cc1ccc(C(=O)N(C)Cc2cccs2)cc1[N+](=O)[O-] ZINC000009366258 368577194 /nfs/dbraw/zinc/57/71/94/368577194.db2.gz YVMDMNPFUGJNRB-UHFFFAOYSA-N 0 0 290.344 3.237 50 5 CGBARN O=C(Nc1cc([N+](=O)[O-])c(F)cc1F)c1ccc(F)cc1 ZINC000012821133 368629289 /nfs/dbraw/zinc/62/92/89/368629289.db2.gz VPJBKMJZKDEASZ-UHFFFAOYSA-N 0 0 296.204 3.264 50 5 CGBARN Cc1ccc(C(=O)NC[C@H](C)c2ccccc2)cc1[N+](=O)[O-] ZINC000015744313 368700785 /nfs/dbraw/zinc/70/07/85/368700785.db2.gz DYWZUXOWNWFLFN-ZDUSSCGKSA-N 0 0 298.342 3.437 50 5 CGBARN C[C@@H](Nc1ccc([N+](=O)[O-])cn1)c1ccc(F)c(F)c1 ZINC000022806698 368812797 /nfs/dbraw/zinc/81/27/97/368812797.db2.gz KLRMHTOSDKABKJ-MRVPVSSYSA-N 0 0 279.246 3.441 50 5 CGBARN O=[N+]([O-])c1cccnc1NC12CC3CC(CC(C3)C1)C2 ZINC000023330327 368820050 /nfs/dbraw/zinc/82/00/50/368820050.db2.gz JLYLYRGEEXJZHJ-UHFFFAOYSA-N 0 0 273.336 3.371 50 5 CGBARN Cc1noc(C)c1CN(C)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000024862413 368835642 /nfs/dbraw/zinc/83/56/42/368835642.db2.gz BZBXAWWRPJVZRZ-LLVKDONJSA-N 0 0 289.335 3.393 50 5 CGBARN O=C(Cn1ccccc1=S)c1ccc([N+](=O)[O-])cc1 ZINC000020031496 368793379 /nfs/dbraw/zinc/79/33/79/368793379.db2.gz UYRCEJDTZFITRK-UHFFFAOYSA-N 0 0 274.301 3.009 50 5 CGBARN O=C(Oc1ccc2oc3ccccc3c2c1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000032932051 368954142 /nfs/dbraw/zinc/95/41/42/368954142.db2.gz UTHVAILYIKSVLA-CHWSQXEVSA-N 0 0 297.266 3.157 50 5 CGBARN CC(C)(NCc1ccco1)c1ccc([N+](=O)[O-])cc1 ZINC000080347013 369986975 /nfs/dbraw/zinc/98/69/75/369986975.db2.gz VOURQYYMNSECFG-UHFFFAOYSA-N 0 0 260.293 3.213 50 5 CGBARN CCOc1cc(Oc2cccnc2)ccc1[N+](=O)[O-] ZINC000092583464 370098524 /nfs/dbraw/zinc/09/85/24/370098524.db2.gz WFOCAVTYWYLAQB-UHFFFAOYSA-N 0 0 260.249 3.181 50 5 CGBARN Cc1cnc(OCc2ncc(C(C)(C)C)o2)c([N+](=O)[O-])c1 ZINC000095453268 370196503 /nfs/dbraw/zinc/19/65/03/370196503.db2.gz JGFZULYIMAJJLZ-UHFFFAOYSA-N 0 0 291.307 3.163 50 5 CGBARN Cc1cn(Cc2c(Cl)cccc2Cl)nc1[N+](=O)[O-] ZINC000170619694 372643202 /nfs/dbraw/zinc/64/32/02/372643202.db2.gz BNJRYJNGWDOFJE-UHFFFAOYSA-N 0 0 286.118 3.455 50 5 CGBARN COCc1cc([N+](=O)[O-])ccc1NC(=O)C[C@@H]1C=CCC1 ZINC000083914624 541931091 /nfs/dbraw/zinc/93/10/91/541931091.db2.gz VIICDLNYWKMCMV-LLVKDONJSA-N 0 0 290.319 3.036 50 5 CGBARN O=C(Oc1ccccc1[N+](=O)[O-])c1ccccc1Cl ZINC000000070831 169525734 /nfs/dbraw/zinc/52/57/34/169525734.db2.gz SUACWKLKOSWHIV-UHFFFAOYSA-N 0 0 277.663 3.467 50 5 CGBARN COc1cccc(-c2nnc(-c3ccccc3[N+](=O)[O-])o2)c1 ZINC000000092318 169533348 /nfs/dbraw/zinc/53/33/48/169533348.db2.gz WOAJNSQSBDMZEM-UHFFFAOYSA-N 0 0 297.270 3.320 50 5 CGBARN O=[N+]([O-])c1cc(Cl)nc2[nH]cc(C(F)(F)F)c21 ZINC000095937038 285093226 /nfs/dbraw/zinc/09/32/26/285093226.db2.gz OZXNYYPMIUUHTH-UHFFFAOYSA-N 0 0 265.578 3.143 50 5 CGBARN O=[N+]([O-])c1ccc(-c2nc3cccnc3[nH]2)c(Cl)c1 ZINC000096009359 285105637 /nfs/dbraw/zinc/10/56/37/285105637.db2.gz VFOXGQAHHKHKTM-UHFFFAOYSA-N 0 0 274.667 3.187 50 5 CGBARN O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCc2ccccc2C1 ZINC000004725422 170006739 /nfs/dbraw/zinc/00/67/39/170006739.db2.gz GOAJCPPVHZDVSW-UHFFFAOYSA-N 0 0 297.314 3.185 50 5 CGBARN CCCC[C@H](CC)CNC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000006043097 170171270 /nfs/dbraw/zinc/17/12/70/170171270.db2.gz YZFJBBCPINLPBJ-ZDUSSCGKSA-N 0 0 292.379 3.470 50 5 CGBARN O=C(Nc1ccc(F)c(F)c1F)c1ccc([N+](=O)[O-])cc1 ZINC000006376327 170196058 /nfs/dbraw/zinc/19/60/58/170196058.db2.gz KBQCUUZGLBPZKD-UHFFFAOYSA-N 0 0 296.204 3.264 50 5 CGBARN O=[N+]([O-])c1cccc(-c2csc(NC3CC3)n2)c1 ZINC000007274399 170275818 /nfs/dbraw/zinc/27/58/18/170275818.db2.gz LIBAABWXCSWTFE-UHFFFAOYSA-N 0 0 261.306 3.293 50 5 CGBARN Cc1oc(-c2ccccc2[N+](=O)[O-])cc1C(=O)NC(C)C ZINC000008021294 170314215 /nfs/dbraw/zinc/31/42/15/170314215.db2.gz NOLIWVHZQCNLKM-UHFFFAOYSA-N 0 0 288.303 3.301 50 5 CGBARN O=C(CCc1cccs1)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000009691589 170384297 /nfs/dbraw/zinc/38/42/97/170384297.db2.gz BQIWUSNBKLTARG-UHFFFAOYSA-N 0 0 294.307 3.367 50 5 CGBARN Cc1ccc(/C=C\c2onc(C)c2[N+](=O)[O-])s1 ZINC000013844282 170604726 /nfs/dbraw/zinc/60/47/26/170604726.db2.gz ZDKQFWWUIMTRCG-WAYWQWQTSA-N 0 0 250.279 3.432 50 5 CGBARN C[C@@H](Sc1cccc[n+]1[O-])c1cccc([N+](=O)[O-])c1 ZINC000026592691 171494116 /nfs/dbraw/zinc/49/41/16/171494116.db2.gz HDELJLKBCQFDHU-SNVBAGLBSA-N 0 0 276.317 3.082 50 5 CGBARN CC(C)CC(=O)N(C)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000040465495 174274382 /nfs/dbraw/zinc/27/43/82/174274382.db2.gz XEEGICGVLXPVQF-LLVKDONJSA-N 0 0 264.325 3.160 50 5 CGBARN Cc1nc2ccc(NC(=O)c3ccccc3[N+](=O)[O-])cc2o1 ZINC000058245696 175613194 /nfs/dbraw/zinc/61/31/94/175613194.db2.gz AZLBTVWQTSFOSP-UHFFFAOYSA-N 0 0 297.270 3.297 50 5 CGBARN COc1cccc(CN(C)c2ccc(F)cc2[N+](=O)[O-])c1 ZINC000058298013 175616731 /nfs/dbraw/zinc/61/67/31/175616731.db2.gz VPZZTVRQMOLEBM-UHFFFAOYSA-N 0 0 290.294 3.379 50 5 CGBARN O=[N+]([O-])c1c(N[C@H]2CCc3ccccc32)nc2ccccn21 ZINC000058406532 175623577 /nfs/dbraw/zinc/62/35/77/175623577.db2.gz QBJMAOHDUDVZQU-ZDUSSCGKSA-N 0 0 294.314 3.342 50 5 CGBARN O=[N+]([O-])c1ccc(NCc2coc(-c3ccccc3)n2)nc1 ZINC000078341008 177334035 /nfs/dbraw/zinc/33/40/35/177334035.db2.gz SZJSBNXQVZSYOA-UHFFFAOYSA-N 0 0 296.286 3.257 50 5 CGBARN Cc1csc([C@@H](Nc2ncccc2[N+](=O)[O-])C2CC2)n1 ZINC000078381432 177336358 /nfs/dbraw/zinc/33/63/58/177336358.db2.gz AOPFWPKXUOIDLS-NSHDSACASA-N 0 0 290.348 3.318 50 5 CGBARN O=C1Nc2ccccc2/C1=C\c1csc([N+](=O)[O-])c1 ZINC000048578974 416453570 /nfs/dbraw/zinc/45/35/70/416453570.db2.gz LRBYHOIHYZMCON-BJMVGYQFSA-N 0 0 272.285 3.149 50 5 CGBARN C[C@@H]1CCCN(c2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000042109348 287360821 /nfs/dbraw/zinc/36/08/21/287360821.db2.gz DEKFZVUQSXJZAS-LLVKDONJSA-N 0 0 271.320 3.379 50 5 CGBARN CC(C)c1onc(C(=O)N2[C@@H](C)CCC[C@@H]2C)c1[N+](=O)[O-] ZINC000004937566 278114733 /nfs/dbraw/zinc/11/47/33/278114733.db2.gz MKBBHXUZQCSDIT-UWVGGRQHSA-N 0 0 295.339 3.109 50 5 CGBARN C[C@H]1C[C@H](C)CN(c2cc(N(C)C)c([N+](=O)[O-])cc2F)C1 ZINC000004300031 278490119 /nfs/dbraw/zinc/49/01/19/278490119.db2.gz JAHUOBQQBWGLIM-QWRGUYRKSA-N 0 0 295.358 3.282 50 5 CGBARN Cc1cc([N+](=O)[O-])cc(Br)c1Cl ZINC000036532862 278744194 /nfs/dbraw/zinc/74/41/94/278744194.db2.gz ALRMZVIRRGMVRF-UHFFFAOYSA-N 0 0 250.479 3.319 50 5 CGBARN O=[N+]([O-])c1cc(Br)cc(F)c1Br ZINC000263624219 280355665 /nfs/dbraw/zinc/35/56/65/280355665.db2.gz OKYXXFZQDSEMOG-UHFFFAOYSA-N 0 0 298.893 3.259 50 5 CGBARN O=C(Nc1cnc2ccccc2c1)c1cccc([N+](=O)[O-])c1 ZINC000000471703 534450978 /nfs/dbraw/zinc/45/09/78/534450978.db2.gz BLFLQLYPRCSHIF-UHFFFAOYSA-N 0 0 293.282 3.395 50 5 CGBARN Cc1nc(N[C@H](C)CC[C@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000096472193 534496028 /nfs/dbraw/zinc/49/60/28/534496028.db2.gz OHHLBMPDNXQEHD-ZYHUDNBSSA-N 0 0 279.340 3.058 50 5 CGBARN CNc1ccc(/C=C2\C(=O)Oc3ccccc32)cc1[N+](=O)[O-] ZINC000061190225 623109674 /nfs/dbraw/zinc/10/96/74/623109674.db2.gz QXVGIWNQPLBJDI-WQLSENKSSA-N 0 0 296.282 3.096 50 5 CGBARN O=[N+]([O-])c1ccc(/C=C\c2ccnnc2)cc1Cl ZINC000221885496 637763483 /nfs/dbraw/zinc/76/34/83/637763483.db2.gz ZPWPCYOTSKKWIP-UPHRSURJSA-N 0 0 261.668 3.209 50 5 CGBARN