smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cccc(OCCNC(=O)Cc2ccccc2[N+](=O)[O-])c1 ZINC000223444745 539658282 /nfs/dbraw/zinc/65/82/82/539658282.db2.gz PLVOSCPLBIMQLQ-UHFFFAOYSA-N 0 0 330.340 2.341 40 5 EEBBRN COc1ccc(CNS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000020451665 202043259 /nfs/dbraw/zinc/04/32/59/202043259.db2.gz XLPVMQFBOMDUPR-UHFFFAOYSA-N 0 0 336.369 2.223 40 5 EEBBRN C[C@@H](NC(=O)c1ccccc1[N+](=O)[O-])c1ccc2c(c1)NC(=O)CO2 ZINC000040505538 203283875 /nfs/dbraw/zinc/28/38/75/203283875.db2.gz OIODZDLJMJGFIJ-SNVBAGLBSA-N 0 0 341.323 2.417 40 5 EEBBRN Nn1c(SCCOc2ccccc2[N+](=O)[O-])nnc1C(F)(F)F ZINC000053393329 207122020 /nfs/dbraw/zinc/12/20/20/207122020.db2.gz WKTPJGDWZZFGST-UHFFFAOYSA-N 0 0 349.294 2.090 40 5 EEBBRN Cc1ccccc1-n1ccc2nc3ccn(N(C)C)c(=O)c3cc2c1=O ZINC000040398686 278947862 /nfs/dbraw/zinc/94/78/62/278947862.db2.gz ANIDLQCKNXWISI-UHFFFAOYSA-N 0 0 346.390 2.207 40 5 EEBBRN CCO[C@H]1C[C@@H](NC(=O)CCn2cc([N+](=O)[O-])cn2)C12CCCC2 ZINC000096432507 463261446 /nfs/dbraw/zinc/26/14/46/463261446.db2.gz RUWHUXDGHHVKAI-KGLIPLIRSA-N 0 0 336.392 2.035 40 5 EEBBRN CC(=O)N[C@@H]1CCCC[C@@]12CN(Cc1cccc([N+](=O)[O-])c1)CCO2 ZINC000306132363 466492457 /nfs/dbraw/zinc/49/24/57/466492457.db2.gz LGLNETNOAKOGMQ-QZTJIDSGSA-N 0 0 347.415 2.245 40 5 EEBBRN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H]1CCCC[C@H]1C ZINC000042985618 204192285 /nfs/dbraw/zinc/19/22/85/204192285.db2.gz DOFPKHZDYGLQNB-ZYHUDNBSSA-N 0 0 328.390 2.460 40 5 EEBBRN Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@]1(C)CCCc2ccccc21 ZINC000095461579 218402298 /nfs/dbraw/zinc/40/22/98/218402298.db2.gz QXZLMUPEOHRKFP-KRWDZBQOSA-N 0 0 328.372 2.352 40 5 EEBBRN Cc1nc(CC(=O)N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cs1 ZINC000096411756 218766823 /nfs/dbraw/zinc/76/68/23/218766823.db2.gz WXXCWFGCUSUAFZ-LLVKDONJSA-N 0 0 347.400 2.010 40 5 EEBBRN CC(C)CNC(=O)c1cccc(Cn2ccc(=O)c([N+](=O)[O-])c2)c1 ZINC000096468059 218847654 /nfs/dbraw/zinc/84/76/54/218847654.db2.gz ZIAPNWCRIITNGB-UHFFFAOYSA-N 0 0 329.356 2.191 40 5 EEBBRN CCn1nccc1/C=C1/CCn2c1nc1ccc([N+](=O)[O-])cc1c2=O ZINC000152615443 462556976 /nfs/dbraw/zinc/55/69/76/462556976.db2.gz DZFMGBIMGIMXOT-LUAWRHEFSA-N 0 0 337.339 2.465 40 5 EEBBRN CC(=O)N1CC[C@@]2(C1)CCCN(C(=O)c1ccc(C)c([N+](=O)[O-])c1)C2 ZINC000096268672 463231319 /nfs/dbraw/zinc/23/13/19/463231319.db2.gz KWYYMUKWHHWHCP-GOSISDBHSA-N 0 0 345.399 2.378 40 5 EEBBRN CS(=O)(=O)c1sc2n[nH]c(N)c2c1-c1cccc([N+](=O)[O-])c1 ZINC000096532158 463293822 /nfs/dbraw/zinc/29/38/22/463293822.db2.gz MWNUTRMYJODUTM-UHFFFAOYSA-N 0 0 338.370 2.185 40 5 EEBBRN Cc1cc([N+](=O)[O-])cnc1N1CC[C@H](Oc2cccnc2N(C)C)C1 ZINC000253426802 465011350 /nfs/dbraw/zinc/01/13/50/465011350.db2.gz XRSBMKHOQIPJDL-AWEZNQCLSA-N 0 0 343.387 2.417 40 5 EEBBRN COc1cc(NC(=O)CSc2nccc(C)n2)ccc1[N+](=O)[O-] ZINC000408556570 466680981 /nfs/dbraw/zinc/68/09/81/466680981.db2.gz KRMVSYAAZKCKHM-UHFFFAOYSA-N 0 0 334.357 2.433 40 5 EEBBRN CC[C@H]1CN(c2ccc([N+](=O)[O-])c(C(C)=O)c2)CCN1CCOC ZINC000225819747 536161780 /nfs/dbraw/zinc/16/17/80/536161780.db2.gz CEIMSMXIYZHWAE-AWEZNQCLSA-N 0 0 335.404 2.344 40 5 EEBBRN O=[N+]([O-])c1cc([N+](=O)[O-])c(-c2nnc(C(F)(F)F)o2)c([N+](=O)[O-])c1 ZINC000059160416 280360928 /nfs/dbraw/zinc/36/09/28/280360928.db2.gz PHZMTQHBOIFESU-UHFFFAOYSA-N 0 0 349.137 2.480 40 5 EEBBRN [NH2+]=C1N=C2[N-]C(=O)c3ccccc3N2[C@H](c2ccccc2[N+](=O)[O-])N1 ZINC000022241617 303360556 /nfs/dbraw/zinc/36/05/56/303360556.db2.gz KDGUAVZWKIPLBY-CYBMUJFWSA-N 0 0 336.311 2.103 40 5 EEBBRN Cn1cnn(-c2ccc(NCCc3ccc([N+](=O)[O-])cc3)cc2)c1=O ZINC000097375819 323322522 /nfs/dbraw/zinc/32/25/22/323322522.db2.gz GOSHQFMIDZVEOW-UHFFFAOYSA-N 0 0 339.355 2.134 40 5 EEBBRN CCc1nn(C)c(OC)c1CNC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000089218912 462654445 /nfs/dbraw/zinc/65/44/45/462654445.db2.gz AMMNJFVWXOCWJP-UHFFFAOYSA-N 0 0 338.389 2.199 40 5 EEBBRN Cc1ccoc1C(=O)NCCCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000096413995 463246421 /nfs/dbraw/zinc/24/64/21/463246421.db2.gz FVHMIUPZOITHGS-UHFFFAOYSA-N 0 0 331.328 2.046 40 5 EEBBRN Cc1n[nH]c(C(=O)NC[C@@H](C)Oc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000096431974 463261275 /nfs/dbraw/zinc/26/12/75/463261275.db2.gz DJSYZFZUQJCOAY-MRVPVSSYSA-N 0 0 338.751 2.477 40 5 EEBBRN CCCCOC(=O)c1ccc(Sc2nncn2N)c([N+](=O)[O-])c1 ZINC000070462345 463376587 /nfs/dbraw/zinc/37/65/87/463376587.db2.gz ZEGZMBXKQIGXRJ-UHFFFAOYSA-N 0 0 337.361 2.008 40 5 EEBBRN Cc1ccnc([C@H](NC(=O)c2cc([N+](=O)[O-])ccc2N)C2CC2)n1 ZINC000195566553 464078692 /nfs/dbraw/zinc/07/86/92/464078692.db2.gz ICWVHRIUTAASDK-CQSZACIVSA-N 0 0 327.344 2.157 40 5 EEBBRN CCNc1nc(NCC)nc(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])n1 ZINC000025560202 202133690 /nfs/dbraw/zinc/13/36/90/202133690.db2.gz VUEKJHHKDQVEDI-UHFFFAOYSA-N 0 0 333.308 2.219 40 5 EEBBRN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCO[C@H]2CCCC[C@@H]21 ZINC000072581474 202365579 /nfs/dbraw/zinc/36/55/79/202365579.db2.gz DXTKJRYFTWWXFT-HOTGVXAUSA-N 0 0 333.388 2.485 40 5 EEBBRN O=C(COc1ccccc1)N1CCN=Cc2cc([N+](=O)[O-])ccc21 ZINC000073642409 202369858 /nfs/dbraw/zinc/36/98/58/202369858.db2.gz FEWCOXWBUGQHBS-UHFFFAOYSA-N 0 0 325.324 2.439 40 5 EEBBRN CN(C)C(=O)C(C)(C)NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000074950124 202375261 /nfs/dbraw/zinc/37/52/61/202375261.db2.gz SSCIFCCBDAKKAB-UHFFFAOYSA-N 0 0 347.293 2.210 40 5 EEBBRN COC(=O)CN(Cc1ccccc1)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000047407168 204338647 /nfs/dbraw/zinc/33/86/47/204338647.db2.gz LLUQIIFHEXHXLL-UHFFFAOYSA-N 0 0 328.324 2.410 40 5 EEBBRN O=C(CN(C[C@H]1CCCO1)c1ccccc1[N+](=O)[O-])N1CCCC1 ZINC000095430923 218373495 /nfs/dbraw/zinc/37/34/95/218373495.db2.gz XXFXUNMQHLTDNY-CQSZACIVSA-N 0 0 333.388 2.203 40 5 EEBBRN O=[N+]([O-])c1cc(S(=O)(=O)n2nnc3ccccc32)ccc1Cl ZINC000005605108 462663732 /nfs/dbraw/zinc/66/37/32/462663732.db2.gz VBXIGWVXQABDMF-UHFFFAOYSA-N 0 0 338.732 2.230 40 5 EEBBRN O=C(NCc1ccccc1)[C@@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1 ZINC000009235107 462800992 /nfs/dbraw/zinc/80/09/92/462800992.db2.gz RVELVKWLRCXQTB-CQSZACIVSA-N 0 0 339.351 2.264 40 5 EEBBRN COc1ccc(-c2nc(Sc3c([N+](=O)[O-])ncn3C)n[nH]2)cc1 ZINC000013220270 462888228 /nfs/dbraw/zinc/88/82/28/462888228.db2.gz PYQWYJXOZDKYME-UHFFFAOYSA-N 0 0 332.345 2.273 40 5 EEBBRN COc1ccc([C@@H](N)c2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)cc1 ZINC000095533659 463106837 /nfs/dbraw/zinc/10/68/37/463106837.db2.gz MEBZARGQQRHIQJ-CQSZACIVSA-N 0 0 325.328 2.437 40 5 EEBBRN COc1ccc([N+](=O)[O-])cc1-c1n[nH]c([C@@H](N)c2ccccc2)n1 ZINC000095533485 463106914 /nfs/dbraw/zinc/10/69/14/463106914.db2.gz XGTRHLXRSINJJF-AWEZNQCLSA-N 0 0 325.328 2.437 40 5 EEBBRN CC[C@H]1c2ccsc2CCN1C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000096468033 463277988 /nfs/dbraw/zinc/27/79/88/463277988.db2.gz SCVBBKBQIUFKDO-LBPRGKRZSA-N 0 0 347.396 2.354 40 5 EEBBRN Cc1cc(C(=O)Nc2cccc([S@](C)=O)c2)c(N)c([N+](=O)[O-])c1 ZINC000081758351 463488267 /nfs/dbraw/zinc/48/82/67/463488267.db2.gz YTVPTLOMBBBKTN-HSZRJFAPSA-N 0 0 333.369 2.475 40 5 EEBBRN CC(C)CNC(=O)C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000409054283 466685209 /nfs/dbraw/zinc/68/52/09/466685209.db2.gz UECZRPGGDMFWES-UHFFFAOYSA-N 0 0 333.388 2.219 40 5 EEBBRN Cc1cc(S(=O)(=O)N2c3ccccc3C[C@@H]2CO)ccc1[N+](=O)[O-] ZINC000585141270 468989656 /nfs/dbraw/zinc/98/96/56/468989656.db2.gz SNLXUXQVUNPUHE-CYBMUJFWSA-N 0 0 348.380 2.016 40 5 EEBBRN O=C(Cc1ccccc1[N+](=O)[O-])NC[C@H]1COc2ccccc2O1 ZINC000025984754 527294811 /nfs/dbraw/zinc/29/48/11/527294811.db2.gz ZCMADUOEURRTPI-ZDUSSCGKSA-N 0 0 328.324 2.094 40 5 EEBBRN CC(=O)Nc1cccc(NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)c1 ZINC000216352345 241185979 /nfs/dbraw/zinc/18/59/79/241185979.db2.gz JMOMFLOBZBSDNG-UHFFFAOYSA-N 0 0 349.368 2.495 40 5 EEBBRN COC(=O)c1ccoc1Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000096455724 218839749 /nfs/dbraw/zinc/83/97/49/218839749.db2.gz KJWKTTAWKJEKKL-UHFFFAOYSA-N 0 0 328.284 2.281 40 5 EEBBRN COc1cccc([C@H]2SCC(=O)N2c2nncs2)c1[N+](=O)[O-] ZINC000001612132 277458681 /nfs/dbraw/zinc/45/86/81/277458681.db2.gz BOFDFDZKNHAFGF-LLVKDONJSA-N 0 0 338.370 2.234 40 5 EEBBRN CC(=O)C(C(C)=O)C(c1ccc([N+](=O)[O-])cc1)C(C(C)=O)C(C)=O ZINC000101403510 277929601 /nfs/dbraw/zinc/92/96/01/277929601.db2.gz HQRBPMHOIIDOHZ-UHFFFAOYSA-N 0 0 333.340 2.267 40 5 EEBBRN C[C@@]1(CO)CCC[C@@H]1NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000195547475 323513994 /nfs/dbraw/zinc/51/39/94/323513994.db2.gz CZTDGOQXYFWOHO-RDJZCZTQSA-N 0 0 344.371 2.061 40 5 EEBBRN COc1ccccc1OCCNC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000015381321 462950271 /nfs/dbraw/zinc/95/02/71/462950271.db2.gz WEOCFQGVGJGXTM-UHFFFAOYSA-N 0 0 330.340 2.341 40 5 EEBBRN O=C(NCCc1nc(-c2ccco2)n[nH]1)c1cc(F)ccc1[N+](=O)[O-] ZINC000078912168 463166546 /nfs/dbraw/zinc/16/65/46/463166546.db2.gz FUSAPOAFEMDHHD-UHFFFAOYSA-N 0 0 345.290 2.085 40 5 EEBBRN COc1ccc2[nH]cc(CCNC(=O)c3[nH]nc(C)c3[N+](=O)[O-])c2c1 ZINC000079051206 463183962 /nfs/dbraw/zinc/18/39/62/463183962.db2.gz CWQPPJDODHTSPO-UHFFFAOYSA-N 0 0 343.343 2.089 40 5 EEBBRN Cc1cc(CNc2ccc(F)cc2[N+](=O)[O-])ccc1S(N)(=O)=O ZINC000390835002 467415070 /nfs/dbraw/zinc/41/50/70/467415070.db2.gz AQSJIAVDRYNDHN-UHFFFAOYSA-N 0 0 339.348 2.302 40 5 EEBBRN COC(=O)C[C@H]1CCCCN1CC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000054394527 214235272 /nfs/dbraw/zinc/23/52/72/214235272.db2.gz BLOAQDZDDZFWNX-CQSZACIVSA-N 0 0 349.387 2.259 40 5 EEBBRN COc1cc(N2CCN(C(=O)[C@@H]3C[C@H]3C)CC2)c([N+](=O)[O-])cc1F ZINC000096466628 277825460 /nfs/dbraw/zinc/82/54/60/277825460.db2.gz SXSLCXRSVMRBEV-GHMZBOCLSA-N 0 0 337.351 2.047 40 5 EEBBRN CSc1nnc(C)n1NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000006223732 462680053 /nfs/dbraw/zinc/68/00/53/462680053.db2.gz BTJNOWHCSBVSBI-UHFFFAOYSA-N 0 0 327.753 2.254 40 5 EEBBRN O=C(C[C@H]1Nc2ccccc2OC1=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000017066943 462993615 /nfs/dbraw/zinc/99/36/15/462993615.db2.gz FIFMJPBYWQWQCZ-CYBMUJFWSA-N 0 0 327.296 2.323 40 5 EEBBRN Cc1cc(C)n([C@@H](C)C(=O)NCCOc2ccc([N+](=O)[O-])cc2)n1 ZINC000078771589 463147751 /nfs/dbraw/zinc/14/77/51/463147751.db2.gz CKXTUKYQAJZXQQ-ZDUSSCGKSA-N 0 0 332.360 2.164 40 5 EEBBRN Cc1cc(C(=O)Nc2cccnc2N2CCOCC2)ccc1[N+](=O)[O-] ZINC000056163803 463381571 /nfs/dbraw/zinc/38/15/71/463381571.db2.gz HUWBSXGJIHLBBA-UHFFFAOYSA-N 0 0 342.355 2.387 40 5 EEBBRN CCCCN(Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000070980038 463400073 /nfs/dbraw/zinc/40/00/73/463400073.db2.gz UMTLSLDDOVTEFM-OAHLLOKOSA-N 0 0 326.418 2.384 40 5 EEBBRN CN(C)c1ccccc1N(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000194650108 463902885 /nfs/dbraw/zinc/90/28/85/463902885.db2.gz NYPMBLGUQCQVHG-UHFFFAOYSA-N 0 0 335.385 2.486 40 5 EEBBRN CN(Cc1ccc([N+](=O)[O-])cc1)[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000245339444 464470670 /nfs/dbraw/zinc/47/06/70/464470670.db2.gz SWJAAOSXVLFOHH-LSDHHAIUSA-N 0 0 326.418 2.382 40 5 EEBBRN CC[C@H](C(=O)N1CCCc2c([N+](=O)[O-])cccc21)N1CCCC1=O ZINC000182200385 464597351 /nfs/dbraw/zinc/59/73/51/464597351.db2.gz NRCLRLZUFFNDOQ-CYBMUJFWSA-N 0 0 331.372 2.275 40 5 EEBBRN CS(=O)(=O)NC[C@@H]1CCCN(c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000253415408 465004760 /nfs/dbraw/zinc/00/47/60/465004760.db2.gz IIJYFOVCVSXHJO-JTQLQIEISA-N 0 0 347.824 2.014 40 5 EEBBRN Cc1ccc(C(=O)NC[C@H](O)COc2ccc([N+](=O)[O-])cc2)cc1C ZINC000058171331 214492688 /nfs/dbraw/zinc/49/26/88/214492688.db2.gz CHSIEPRHAXCERS-INIZCTEOSA-N 0 0 344.367 2.381 40 5 EEBBRN CCn1cc(C2CCN(C(=O)c3cc([N+](=O)[O-])ccc3N)CC2)cn1 ZINC000191725526 239266256 /nfs/dbraw/zinc/26/62/56/239266256.db2.gz OYAMCFHJXXHKCL-UHFFFAOYSA-N 0 0 343.387 2.413 40 5 EEBBRN O=C(NCCc1cccc([N+](=O)[O-])c1)N1CCC[C@H]1[C@H]1CCCO1 ZINC000253416451 243938842 /nfs/dbraw/zinc/93/88/42/243938842.db2.gz DNSXEHGVELUFIA-JKSUJKDBSA-N 0 0 333.388 2.490 40 5 EEBBRN Cc1nn(C)c(N2CCO[C@H](CCc3ccccc3)C2)c1[N+](=O)[O-] ZINC000097373795 219017425 /nfs/dbraw/zinc/01/74/25/219017425.db2.gz BKDXXBGJUZRNCT-OAHLLOKOSA-N 0 0 330.388 2.475 40 5 EEBBRN CCOC(=O)c1c(C)nn2c1ncc(-c1ccc([N+](=O)[O-])cc1)c2N ZINC000040385276 276296593 /nfs/dbraw/zinc/29/65/93/276296593.db2.gz MZTKFJNAFQWGQL-UHFFFAOYSA-N 0 0 341.327 2.372 40 5 EEBBRN C[C@@H]1CCCCN1C(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000059843382 277673675 /nfs/dbraw/zinc/67/36/75/277673675.db2.gz QYHOESGACHJOES-CYBMUJFWSA-N 0 0 333.388 2.446 40 5 EEBBRN COc1ccc(CC(=O)OCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000003436581 462618367 /nfs/dbraw/zinc/61/83/67/462618367.db2.gz YEFKSEUUYYCCQW-UHFFFAOYSA-N 0 0 344.323 2.328 40 5 EEBBRN CCc1nn(C)c(N2CCN(c3ccccc3F)CC2)c1[N+](=O)[O-] ZINC000092826429 462983343 /nfs/dbraw/zinc/98/33/43/462983343.db2.gz UBGBYXMGGZSTGO-UHFFFAOYSA-N 0 0 333.367 2.356 40 5 EEBBRN C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])nc1)c1cccc(F)c1F ZINC000195441270 464054619 /nfs/dbraw/zinc/05/46/19/464054619.db2.gz UNIVEJJXIZYEPA-QMMMGPOBSA-N 0 0 343.311 2.308 40 5 EEBBRN Cn1c2cc(NC(=O)c3ccccc3)c([N+](=O)[O-])cc2n(C)c1=O ZINC000408532378 466680427 /nfs/dbraw/zinc/68/04/27/466680427.db2.gz MMMLPEQFVKSRMD-UHFFFAOYSA-N 0 0 326.312 2.038 40 5 EEBBRN O=C1CCN[C@@H](c2ccc(OCc3ccccc3)c([N+](=O)[O-])c2)N1 ZINC000408736839 466682898 /nfs/dbraw/zinc/68/28/98/466682898.db2.gz JAGBVEIYZWRATH-QGZVFWFLSA-N 0 0 327.340 2.282 40 5 EEBBRN C[C@@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)[C@@H](O)c1ccccc1 ZINC000006852976 201702321 /nfs/dbraw/zinc/70/23/21/201702321.db2.gz FLJIOUDJQYTYIL-MEBBXXQBSA-N 0 0 345.311 2.355 40 5 EEBBRN Cc1cc([N+](=O)[O-])cc(Br)c1N1CCC[C@@H](C(N)=O)C1 ZINC000226755530 205152738 /nfs/dbraw/zinc/15/27/38/205152738.db2.gz CDZFKCGBLFWVLR-SECBINFHSA-N 0 0 342.193 2.367 40 5 EEBBRN O=C(Cc1cccc([N+](=O)[O-])c1)N1CCN(c2ccccc2O)CC1 ZINC000096435910 218814561 /nfs/dbraw/zinc/81/45/61/218814561.db2.gz LEPADQSRNHHDEG-UHFFFAOYSA-N 0 0 341.367 2.192 40 5 EEBBRN O=C(Nc1ccncc1F)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000184141117 135592694 /nfs/dbraw/zinc/59/26/94/135592694.db2.gz FLWQHMVZVRGQGX-UHFFFAOYSA-N 0 0 345.334 2.483 40 5 EEBBRN Cc1sc(S(=O)(=O)N(C)Cc2nccs2)cc1[N+](=O)[O-] ZINC000097094907 323320125 /nfs/dbraw/zinc/32/01/25/323320125.db2.gz QUBVDCUMHBQYBC-UHFFFAOYSA-N 0 0 333.416 2.242 40 5 EEBBRN CC1=Nc2ncnn2[C@H](c2ccc([N+](=O)[O-])cc2)C1C(=O)OC(C)C ZINC000000147799 462543328 /nfs/dbraw/zinc/54/33/28/462543328.db2.gz WOKBZUGGDWHMKK-CQSZACIVSA-N 0 0 343.343 2.427 40 5 EEBBRN O=C(NCc1ccccc1Cn1cccn1)c1ccc([N+](=O)[O-])o1 ZINC000065548933 462795235 /nfs/dbraw/zinc/79/52/35/462795235.db2.gz QWRBEDSNKMCWNS-UHFFFAOYSA-N 0 0 326.312 2.363 40 5 EEBBRN COc1cc(N2CCN(C(=O)c3ccc(C)o3)CC2)ccc1[N+](=O)[O-] ZINC000096429358 463259277 /nfs/dbraw/zinc/25/92/77/463259277.db2.gz QWAMNFAITUXUFH-UHFFFAOYSA-N 0 0 345.355 2.467 40 5 EEBBRN Cc1ccc([C@@H]2CN(CCn3cc([N+](=O)[O-])cn3)CCO2)c(C)c1 ZINC000096445737 463271307 /nfs/dbraw/zinc/27/13/07/463271307.db2.gz UFNTYWSJRFAVCZ-KRWDZBQOSA-N 0 0 330.388 2.482 40 5 EEBBRN O=C1CCN[C@H](c2ccc(OCc3ccccc3)c([N+](=O)[O-])c2)N1 ZINC000408736838 466683031 /nfs/dbraw/zinc/68/30/31/466683031.db2.gz JAGBVEIYZWRATH-KRWDZBQOSA-N 0 0 327.340 2.282 40 5 EEBBRN COCc1cccc(CNC(=O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000040114020 213268618 /nfs/dbraw/zinc/26/86/18/213268618.db2.gz IBBBITAMQFMTDL-UHFFFAOYSA-N 0 0 330.340 2.436 40 5 EEBBRN COCCC(=O)N1CCC(Nc2ccc([N+](=O)[O-])cc2C(C)=O)CC1 ZINC000225822516 242051689 /nfs/dbraw/zinc/05/16/89/242051689.db2.gz DMNBNANIMMTMPQ-UHFFFAOYSA-N 0 0 349.387 2.237 40 5 EEBBRN Cc1ccc(NC(=O)C[C@@H]([NH2+]Cc2ccco2)C(=O)[O-])c([N+](=O)[O-])c1 ZINC000039880945 292148022 /nfs/dbraw/zinc/14/80/22/292148022.db2.gz BDVGBEZGSONONB-CYBMUJFWSA-N 0 0 347.327 2.068 40 5 EEBBRN O=C(NCCc1ccccc1O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000001711679 462586479 /nfs/dbraw/zinc/58/64/79/462586479.db2.gz JWHYUWZKDWQSHE-UHFFFAOYSA-N 0 0 330.296 2.002 40 5 EEBBRN Cc1ccc(N2C[C@@H](C(=O)NCc3ccco3)CC2=O)cc1[N+](=O)[O-] ZINC000007928498 462758356 /nfs/dbraw/zinc/75/83/56/462758356.db2.gz AWDAFEHTAKYALF-LBPRGKRZSA-N 0 0 343.339 2.166 40 5 EEBBRN CNS(=O)(=O)c1cccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)c1 ZINC000015410362 462951674 /nfs/dbraw/zinc/95/16/74/462951674.db2.gz QJTODRQRWODTTQ-UHFFFAOYSA-N 0 0 349.368 2.064 40 5 EEBBRN Cc1nc([N+](=O)[O-])cn1CC(=O)N1c2ccccc2N(C)CC[C@@H]1C ZINC000096425367 463254807 /nfs/dbraw/zinc/25/48/07/463254807.db2.gz IQKCCAKXKKMLEM-LBPRGKRZSA-N 0 0 343.387 2.361 40 5 EEBBRN CSc1n[n+]2c(C(=O)c3ccccc3)nc3ccccc3c2c(=O)[n-]1 ZINC000588227687 469130922 /nfs/dbraw/zinc/13/09/22/469130922.db2.gz BOOAAMHXTBSBGY-UHFFFAOYSA-O 0 0 349.395 2.010 40 5 EEBBRN CN(c1ccc2c(c1)OCO2)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000224749411 539658632 /nfs/dbraw/zinc/65/86/32/539658632.db2.gz FYWJCCPNYGBLPE-UHFFFAOYSA-N 0 0 336.325 2.149 40 5 EEBBRN COC(=O)C1(NC(=O)Cc2ccccc2[N+](=O)[O-])CCC(C)CC1 ZINC000040145939 213273085 /nfs/dbraw/zinc/27/30/85/213273085.db2.gz ISRBNGGBEDOFOQ-UHFFFAOYSA-N 0 0 334.372 2.375 40 5 EEBBRN COc1ccc(CN2C(=O)NC(C3CC3)(C3CC3)C2=O)cc1[N+](=O)[O-] ZINC000072068175 216002710 /nfs/dbraw/zinc/00/27/10/216002710.db2.gz RZCSLTVVDRIDDX-UHFFFAOYSA-N 0 0 345.355 2.214 40 5 EEBBRN O=[N+]([O-])c1cccc(CS(=O)(=O)Nc2ccc3c(c2)OCO3)c1 ZINC000216424033 241191347 /nfs/dbraw/zinc/19/13/47/241191347.db2.gz FHMFNNFSUSYANC-UHFFFAOYSA-N 0 0 336.325 2.265 40 5 EEBBRN O=C(Nc1ccc(F)cc1[N+](=O)[O-])C1CCN(c2ncccn2)CC1 ZINC000078551831 217073526 /nfs/dbraw/zinc/07/35/26/217073526.db2.gz FZJOCQSRSVNHKG-UHFFFAOYSA-N 0 0 345.334 2.379 40 5 EEBBRN CCc1nnc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)n1CC ZINC000013992531 211666008 /nfs/dbraw/zinc/66/60/08/211666008.db2.gz SOUWIFLSTORKQU-UHFFFAOYSA-N 0 0 335.389 2.499 40 5 EEBBRN Cc1nn(C)c(N2CCO[C@@H](CCc3ccccc3)C2)c1[N+](=O)[O-] ZINC000097373797 219017417 /nfs/dbraw/zinc/01/74/17/219017417.db2.gz BKDXXBGJUZRNCT-HNNXBMFYSA-N 0 0 330.388 2.475 40 5 EEBBRN CN(C)C(=O)[C@H]1CCCN1c1ccc([N+](=O)[O-])cc1Br ZINC000096453296 276747713 /nfs/dbraw/zinc/74/77/13/276747713.db2.gz UUZZBKSPJZEALS-GFCCVEGCSA-N 0 0 342.193 2.414 40 5 EEBBRN O=C(NCCC(F)(F)F)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC000195550922 323514543 /nfs/dbraw/zinc/51/45/43/323514543.db2.gz XCRAVTJPHURPOY-UHFFFAOYSA-N 0 0 347.293 2.114 40 5 EEBBRN Cc1ccoc1C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000096418812 463250584 /nfs/dbraw/zinc/25/05/84/463250584.db2.gz LBWJACMRXXSUKS-UHFFFAOYSA-N 0 0 343.339 2.094 40 5 EEBBRN O=C(NCCc1ccc([N+](=O)[O-])cc1)C1CCN(CC(F)F)CC1 ZINC000280945999 464277392 /nfs/dbraw/zinc/27/73/92/464277392.db2.gz LWGQMCFAPBWZIL-UHFFFAOYSA-N 0 0 341.358 2.231 40 5 EEBBRN Cc1ccc(C)c(S(=O)(=O)N(C)CCc2ccncc2)c1[N+](=O)[O-] ZINC000189906990 464562901 /nfs/dbraw/zinc/56/29/01/464562901.db2.gz RKUFARDOWXFHTH-UHFFFAOYSA-N 0 0 349.412 2.470 40 5 EEBBRN O=C(Cc1ccc(Br)c([N+](=O)[O-])c1)N1CCCOCC1 ZINC000585140493 468988987 /nfs/dbraw/zinc/98/89/87/468988987.db2.gz FYCJHGYKRFNCKE-UHFFFAOYSA-N 0 0 343.177 2.149 40 5 EEBBRN CCO[C@@H]1C=CC[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3C)C(=O)[C@H]21 ZINC000252444402 694410918 /nfs/dbraw/zinc/41/09/18/694410918.db2.gz SOILWSSFGONHDO-NWANDNLSSA-N 0 0 330.340 2.374 40 5 EEBBRN CCO[C@@H]1C=CC[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3C)C(=O)[C@@H]21 ZINC000102382230 1358296749 /nfs/dbraw/zinc/29/67/49/1358296749.db2.gz SOILWSSFGONHDO-CFVMTHIKSA-N 0 0 330.340 2.374 40 5 EEBBRN CC(=O)C(C(C)=O)C(c1cccc([N+](=O)[O-])c1)C(C(C)=O)C(C)=O ZINC000104368801 277929563 /nfs/dbraw/zinc/92/95/63/277929563.db2.gz KRIXDOXOOXOCGS-UHFFFAOYSA-N 0 0 333.340 2.267 40 5 EEBBRN COc1cc(C(=O)Nc2ccc(-n3nccn3)cc2)ccc1[N+](=O)[O-] ZINC000154187495 462739670 /nfs/dbraw/zinc/73/96/70/462739670.db2.gz LLQLGSDHEUXSNX-UHFFFAOYSA-N 0 0 339.311 2.436 40 5 EEBBRN CC(=O)N[C@H]1CCCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)C1 ZINC000096453582 463274662 /nfs/dbraw/zinc/27/46/62/463274662.db2.gz IECITXGZNXIAHV-JTQLQIEISA-N 0 0 329.303 2.301 40 5 EEBBRN CC(C)(C)C(=O)NC[C@H]1CCCN(c2cc(CO)ccc2[N+](=O)[O-])C1 ZINC000096496063 463289234 /nfs/dbraw/zinc/28/92/34/463289234.db2.gz UQIKGNIMULWKCL-CQSZACIVSA-N 0 0 349.431 2.466 40 5 EEBBRN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H]1CCCC[C@@H]1C ZINC000042985616 463610505 /nfs/dbraw/zinc/61/05/05/463610505.db2.gz DOFPKHZDYGLQNB-JQWIXIFHSA-N 0 0 328.390 2.460 40 5 EEBBRN CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000194651897 463902990 /nfs/dbraw/zinc/90/29/90/463902990.db2.gz SAWLYOSCZKWSNL-UHFFFAOYSA-N 0 0 337.313 2.328 40 5 EEBBRN CC(=O)N[C@H]1CCCC[C@@]12CN(Cc1cccc([N+](=O)[O-])c1)CCO2 ZINC000306132365 466492108 /nfs/dbraw/zinc/49/21/08/466492108.db2.gz LGLNETNOAKOGMQ-ZWKOTPCHSA-N 0 0 347.415 2.245 40 5 EEBBRN O=C(C[C@H]1CNN(c2ccccc2)C1=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001740818246 1406109428 /nfs/dbraw/zinc/10/94/28/1406109428.db2.gz MYGCFBIBHDJTIH-LBPRGKRZSA-N 0 0 340.339 2.091 40 5 EEBBRN CSc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cn3)CC2)o1 ZINC000078996385 217168324 /nfs/dbraw/zinc/16/83/24/217168324.db2.gz VJZOOBGFBUYRAT-UHFFFAOYSA-N 0 0 348.384 2.267 40 5 EEBBRN CC(=O)c1ccc(N2CCN(Cc3ccon3)CC2)c([N+](=O)[O-])c1 ZINC000078451295 463117050 /nfs/dbraw/zinc/11/70/50/463117050.db2.gz WXBPGNDHDXUIBB-UHFFFAOYSA-N 0 0 330.344 2.108 40 5 EEBBRN C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)S(=O)(=O)Cc1ccon1 ZINC000096427646 463257437 /nfs/dbraw/zinc/25/74/37/463257437.db2.gz HWEYPDPQOBDGDC-JTQLQIEISA-N 0 0 325.346 2.106 40 5 EEBBRN CCCCN(Cc1ccc([N+](=O)[O-])cc1)[C@H]1CCS(=O)(=O)C1 ZINC000070980040 463399896 /nfs/dbraw/zinc/39/98/96/463399896.db2.gz UMTLSLDDOVTEFM-HNNXBMFYSA-N 0 0 326.418 2.384 40 5 EEBBRN Cn1c2cc(NC(=O)c3ccc(F)cc3)c([N+](=O)[O-])cc2n(C)c1=O ZINC000408535937 466680419 /nfs/dbraw/zinc/68/04/19/466680419.db2.gz UTVBYSUVLHWQAL-UHFFFAOYSA-N 0 0 344.302 2.177 40 5 EEBBRN CCc1cnc(CN(C)S(=O)(=O)c2ccccc2[N+](=O)[O-])s1 ZINC000175466642 529645070 /nfs/dbraw/zinc/64/50/70/529645070.db2.gz NWAJRMRTKUUEME-UHFFFAOYSA-N 0 0 341.414 2.434 40 5 EEBBRN O=C(Cn1cc([N+](=O)[O-])c(C2CC2)n1)N1CCc2sccc2C1 ZINC000185160731 235600701 /nfs/dbraw/zinc/60/07/01/235600701.db2.gz IOWRLCRGOVBMTB-UHFFFAOYSA-N 0 0 332.385 2.315 40 5 EEBBRN NC(=O)Cc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000225990043 242083763 /nfs/dbraw/zinc/08/37/63/242083763.db2.gz ULSXDJXKOCFZLS-UHFFFAOYSA-N 0 0 339.351 2.293 40 5 EEBBRN CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000078879433 217137589 /nfs/dbraw/zinc/13/75/89/217137589.db2.gz FGHGKKFAPPXNRV-GFCCVEGCSA-N 0 0 335.360 2.334 40 5 EEBBRN CS(=O)(=O)Nc1cccc(C(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000010315001 211162456 /nfs/dbraw/zinc/16/24/56/211162456.db2.gz MQVFDNSSWBRMBM-UHFFFAOYSA-N 0 0 335.341 2.219 40 5 EEBBRN CN(CC(F)(F)F)C(=O)CNc1ncc([N+](=O)[O-])cc1Cl ZINC000096429614 218803497 /nfs/dbraw/zinc/80/34/97/218803497.db2.gz UVWUCVZWGQALHV-UHFFFAOYSA-N 0 0 326.662 2.076 40 5 EEBBRN C[C@@H]1[C@@H](C)[S@@](=O)CCN1c1ncc([N+](=O)[O-])cc1Br ZINC000096452881 288976370 /nfs/dbraw/zinc/97/63/70/288976370.db2.gz YPXPHIZKTYCYIU-XVQOFKDTSA-N 0 0 348.222 2.098 40 5 EEBBRN C[C@H]1CC[C@@]2(CCN(c3cccc(S(N)(=O)=O)c3[N+](=O)[O-])C2)C1 ZINC000097376214 323322206 /nfs/dbraw/zinc/32/22/06/323322206.db2.gz INNZNWVRLJINNG-XHDPSFHLSA-N 0 0 339.417 2.259 40 5 EEBBRN COCC[C@@H](C)NC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000087221156 462597315 /nfs/dbraw/zinc/59/73/15/462597315.db2.gz PXIGBHKMKJMMFF-SECBINFHSA-N 0 0 345.193 2.441 40 5 EEBBRN Cc1noc(C)c1CN(C)S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000046033989 462638523 /nfs/dbraw/zinc/63/85/23/462638523.db2.gz VAGJDTGANOFIGD-UHFFFAOYSA-N 0 0 339.373 2.329 40 5 EEBBRN CC(=O)N1CCC2(C1)CCN(C(=O)c1cccc([N+](=O)[O-])c1)CC2 ZINC000096268658 463231603 /nfs/dbraw/zinc/23/16/03/463231603.db2.gz VCEGFFSBDSFKNK-UHFFFAOYSA-N 0 0 331.372 2.069 40 5 EEBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H](c1cnn(C)c1)N(C)C ZINC000096410584 463244004 /nfs/dbraw/zinc/24/40/04/463244004.db2.gz UJPAQKOMBAVVAO-OAHLLOKOSA-N 0 0 346.391 2.061 40 5 EEBBRN O=C(C[C@@H]1C=CCC1)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000096418810 463250251 /nfs/dbraw/zinc/25/02/51/463250251.db2.gz WXZFLKMFSQBJEJ-CQSZACIVSA-N 0 0 343.383 2.236 40 5 EEBBRN C[C@]1(CO)CCC[C@H]1NC(=O)c1cnc(-c2cccc([N+](=O)[O-])c2)[nH]1 ZINC000097096087 463322506 /nfs/dbraw/zinc/32/25/06/463322506.db2.gz YMFUARIWTNLLNN-RHSMWYFYSA-N 0 0 344.371 2.266 40 5 EEBBRN CC(C)n1ccc(Cn2cc(Br)cc([N+](=O)[O-])c2=O)n1 ZINC000179280337 464097404 /nfs/dbraw/zinc/09/74/04/464097404.db2.gz GMCPYYYXHWKJJZ-UHFFFAOYSA-N 0 0 341.165 2.345 40 5 EEBBRN Cc1ncc(CN2CCN(c3ncc([N+](=O)[O-])cc3C)CC2)s1 ZINC000241965670 243007299 /nfs/dbraw/zinc/00/72/99/243007299.db2.gz UUXGVBMIESBRMF-UHFFFAOYSA-N 0 0 333.417 2.385 40 5 EEBBRN CC(C)n1cc(S(=O)(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)cn1 ZINC000096427751 218799711 /nfs/dbraw/zinc/79/97/11/218799711.db2.gz ZNRMLKBEKWENAD-LLVKDONJSA-N 0 0 338.389 2.412 40 5 EEBBRN COc1ccc([C@H](N)c2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)cc1 ZINC000095533658 463107498 /nfs/dbraw/zinc/10/74/98/463107498.db2.gz MEBZARGQQRHIQJ-AWEZNQCLSA-N 0 0 325.328 2.437 40 5 EEBBRN CN(c1ncccc1[N+](=O)[O-])[C@H]1CCN(c2ccccc2F)C1=O ZINC000079031441 463181854 /nfs/dbraw/zinc/18/18/54/463181854.db2.gz BBOCPRVPDASCJE-AWEZNQCLSA-N 0 0 330.319 2.371 40 5 EEBBRN Cc1ccc(N(C)C(=O)c2cc([N+](=O)[O-])cnc2N)cc1N(C)C ZINC000097376520 463356637 /nfs/dbraw/zinc/35/66/37/463356637.db2.gz CFFYPTDEYRLKBZ-UHFFFAOYSA-N 0 0 329.360 2.223 40 5 EEBBRN Cc1cc(C(=O)Nc2cccc([S@@](C)=O)c2)c(N)c([N+](=O)[O-])c1 ZINC000081758355 463487944 /nfs/dbraw/zinc/48/79/44/463487944.db2.gz YTVPTLOMBBBKTN-QHCPKHFHSA-N 0 0 333.369 2.475 40 5 EEBBRN O=C(CSCc1ccc([N+](=O)[O-])cc1)NCCCn1ccnc1 ZINC000408577358 466681480 /nfs/dbraw/zinc/68/14/80/466681480.db2.gz ZYZAEWLAUVDPDL-UHFFFAOYSA-N 0 0 334.401 2.231 40 5 EEBBRN COC(=O)CN(Cc1ccccc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000047407057 213848296 /nfs/dbraw/zinc/84/82/96/213848296.db2.gz WXKXFPBPMUMOJD-UHFFFAOYSA-N 0 0 342.351 2.339 40 5 EEBBRN Cc1n[nH]c(C(=O)NCc2c(F)cccc2OC(F)F)c1[N+](=O)[O-] ZINC000073280902 216373878 /nfs/dbraw/zinc/37/38/78/216373878.db2.gz LXJYHXRDVTWSEZ-UHFFFAOYSA-N 0 0 344.249 2.297 40 5 EEBBRN CCn1nc(C)c([N+](=O)[O-])c1C(=O)Nc1n[nH]c(-c2ccc(C)o2)n1 ZINC000097376040 219018606 /nfs/dbraw/zinc/01/86/06/219018606.db2.gz QZCRMOPSGWLLLQ-UHFFFAOYSA-N 0 0 345.319 2.058 40 5 EEBBRN CN1C[C@H](c2ccc(F)cc2)C([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12 ZINC000408567703 257896251 /nfs/dbraw/zinc/89/62/51/257896251.db2.gz QYYWYOLSMLAVAH-SKDZVZGDSA-N 0 0 341.342 2.348 40 5 EEBBRN CN(C)C(=O)[C@@H]1CCCN1c1ccc([N+](=O)[O-])cc1Br ZINC000096453295 289000531 /nfs/dbraw/zinc/00/05/31/289000531.db2.gz UUZZBKSPJZEALS-LBPRGKRZSA-N 0 0 342.193 2.414 40 5 EEBBRN COc1ccc(NC(=O)COC(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000001943603 462587941 /nfs/dbraw/zinc/58/79/41/462587941.db2.gz UMSXOIAGFNXEFH-UHFFFAOYSA-N 0 0 330.296 2.399 40 5 EEBBRN Cn1c(N)c(-c2c3ccccc3nc3ccccc32)c(=O)n(C)c1=O ZINC000005579947 462663618 /nfs/dbraw/zinc/66/36/18/462663618.db2.gz XEJLVTZDXJPZJB-UHFFFAOYSA-N 0 0 332.363 2.035 40 5 EEBBRN COc1cccc(CN(C)S(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000032794618 463395177 /nfs/dbraw/zinc/39/51/77/463395177.db2.gz KJPRTVJNINSVEV-UHFFFAOYSA-N 0 0 336.369 2.424 40 5 EEBBRN Cc1cnc([C@@H](C)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])s1 ZINC000186732304 464061458 /nfs/dbraw/zinc/06/14/58/464061458.db2.gz VKDZRMZHHDDSDQ-VIFPVBQESA-N 0 0 341.414 2.442 40 5 EEBBRN CC(=O)Nc1ccc(S(=O)(=O)N(C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000132372707 527022286 /nfs/dbraw/zinc/02/22/86/527022286.db2.gz FQEKAPJTQKKVEX-UHFFFAOYSA-N 0 0 349.368 2.378 40 5 EEBBRN CC(=O)N1CCC(NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000040526347 213336372 /nfs/dbraw/zinc/33/63/72/213336372.db2.gz LZLJCSKYHHZXTK-UHFFFAOYSA-N 0 0 340.767 2.381 40 5 EEBBRN CN(Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000245339443 243103538 /nfs/dbraw/zinc/10/35/38/243103538.db2.gz SWJAAOSXVLFOHH-HUUCEWRRSA-N 0 0 326.418 2.382 40 5 EEBBRN COC(=O)c1ccc([N+](=O)[O-])c(N2CCC[C@@H](n3cccn3)C2)c1 ZINC000096501063 284570622 /nfs/dbraw/zinc/57/06/22/284570622.db2.gz BZSRXCCZBJJEGK-CYBMUJFWSA-N 0 0 330.344 2.419 40 5 EEBBRN Cc1cc([C@@H]2CCCCCN2C(=O)c2nn(C)cc2[N+](=O)[O-])on1 ZINC000013566818 291983721 /nfs/dbraw/zinc/98/37/21/291983721.db2.gz VBCUDUYIFIZXOJ-NSHDSACASA-N 0 0 333.348 2.382 40 5 EEBBRN O=C(Oc1ccccc1)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000048314015 280074574 /nfs/dbraw/zinc/07/45/74/280074574.db2.gz ORTMAUMAWAONNV-UHFFFAOYSA-N 0 0 328.328 2.311 40 5 EEBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)Cn1nnc(-c2ccccc2)n1 ZINC000000411480 462558888 /nfs/dbraw/zinc/55/88/88/462558888.db2.gz SGUFFQZEJBHLGR-UHFFFAOYSA-N 0 0 338.327 2.195 40 5 EEBBRN CCc1nnc(SCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)[nH]1 ZINC000011711055 462838869 /nfs/dbraw/zinc/83/88/69/462838869.db2.gz BOILEDWOWFHYCN-UHFFFAOYSA-N 0 0 337.361 2.015 40 5 EEBBRN [NH2+]=C1N=C2[N-]C(=O)c3ccccc3N2[C@@H](c2ccccc2[N+](=O)[O-])N1 ZINC000022241620 463047222 /nfs/dbraw/zinc/04/72/22/463047222.db2.gz KDGUAVZWKIPLBY-ZDUSSCGKSA-N 0 0 336.311 2.103 40 5 EEBBRN [NH3+][C@H](Cc1ccccc1)c1nnc(-c2ccc([O-])c([N+](=O)[O-])c2)[nH]1 ZINC000095534923 463108347 /nfs/dbraw/zinc/10/83/47/463108347.db2.gz VYUHXJFGNISEPK-GFCCVEGCSA-N 0 0 325.328 2.328 40 5 EEBBRN C[C@@]1(CO)CCC[C@H]1NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000195547479 464074559 /nfs/dbraw/zinc/07/45/59/464074559.db2.gz CZTDGOQXYFWOHO-WBVHZDCISA-N 0 0 344.371 2.061 40 5 EEBBRN CC(=O)N1CC[C@H](C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC000195555674 464075907 /nfs/dbraw/zinc/07/59/07/464075907.db2.gz FWVQLMTYJCGZMW-VIFPVBQESA-N 0 0 345.277 2.421 40 5 EEBBRN Cc1c(F)cc(S(=O)(=O)Nc2ccncc2F)cc1[N+](=O)[O-] ZINC000195580589 464081898 /nfs/dbraw/zinc/08/18/98/464081898.db2.gz ANKOTCPIKANNFE-UHFFFAOYSA-N 0 0 329.284 2.377 40 5 EEBBRN O=C(c1cccc([N+](=O)[O-])c1)N1CCN(C[C@H]2CCC=CO2)CC1 ZINC000252508195 464975792 /nfs/dbraw/zinc/97/57/92/464975792.db2.gz XFXJYTRQJSLVJP-MRXNPFEDSA-N 0 0 331.372 2.045 40 5 EEBBRN CC(C)CN(Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000575421037 468143912 /nfs/dbraw/zinc/14/39/12/468143912.db2.gz MKYRTBRZTXTUCA-OAHLLOKOSA-N 0 0 326.418 2.240 40 5 EEBBRN O=C(N[C@@H]1CC(=O)N(c2cccc(F)c2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000004497315 210204794 /nfs/dbraw/zinc/20/47/94/210204794.db2.gz KOIHRPKEFYXZIH-CYBMUJFWSA-N 0 0 343.314 2.269 40 5 EEBBRN COc1ccccc1CN(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000022456891 212298224 /nfs/dbraw/zinc/29/82/24/212298224.db2.gz SGKIEDHEQRUSKV-UHFFFAOYSA-N 0 0 336.369 2.424 40 5 EEBBRN Cc1c(CC(=O)Nc2cncnc2N2CCCC2)cccc1[N+](=O)[O-] ZINC000195562969 241012233 /nfs/dbraw/zinc/01/22/33/241012233.db2.gz LCPCAOQFMZJJRI-UHFFFAOYSA-N 0 0 341.371 2.475 40 5 EEBBRN Cc1c(C)c(=O)c2sc3c(sc2c1=O)c(=O)c(C)c(C)c3=O ZINC000014983642 291538154 /nfs/dbraw/zinc/53/81/54/291538154.db2.gz XHXPIGHXTFVVOD-UHFFFAOYSA-N 0 0 332.402 2.228 40 5 EEBBRN O=C(N[C@@H]1CCN(c2ccccc2F)C1=O)c1ccccc1[N+](=O)[O-] ZINC000078997717 217170028 /nfs/dbraw/zinc/17/00/28/217170028.db2.gz OGMWFMHELIMPRN-CYBMUJFWSA-N 0 0 343.314 2.269 40 5 EEBBRN COC(=O)c1ccc([N+](=O)[O-])c(N2CCC[C@H](n3cccn3)C2)c1 ZINC000096501062 284571191 /nfs/dbraw/zinc/57/11/91/284571191.db2.gz BZSRXCCZBJJEGK-ZDUSSCGKSA-N 0 0 330.344 2.419 40 5 EEBBRN CC(C)(CNc1c(F)cc([N+](=O)[O-])cc1Br)C(N)=O ZINC000096429194 218802622 /nfs/dbraw/zinc/80/26/22/218802622.db2.gz MKTQUQLKDVQJQP-UHFFFAOYSA-N 0 0 334.145 2.420 40 5 EEBBRN Cn1cccc1/C=C1\NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C1=O ZINC000409108373 257879074 /nfs/dbraw/zinc/87/90/74/257879074.db2.gz WYSUETOXROLROS-ZROIWOOFSA-N 0 0 326.312 2.026 40 5 EEBBRN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H](c2cccnc2)C2CC2)cc1 ZINC000330032434 258002101 /nfs/dbraw/zinc/00/21/01/258002101.db2.gz NAGSBMWJYFJTBJ-HNNXBMFYSA-N 0 0 333.369 2.419 40 5 EEBBRN [NH3+][C@@H](Cc1ccc2oc3cc(=O)c4ccccc4c-3nc2c1)C(=O)[O-] ZINC000006005048 462675349 /nfs/dbraw/zinc/67/53/49/462675349.db2.gz NSKWMQYYDIHNHO-ZDUSSCGKSA-N 0 0 334.331 2.400 40 5 in-vitro EEBBRN Cc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(C)c(C(N)=O)c1 ZINC000047219421 462756654 /nfs/dbraw/zinc/75/66/54/462756654.db2.gz KPZQIEKXSLQTRI-UHFFFAOYSA-N 0 0 349.368 2.111 40 5 EEBBRN O=C(C[C@H]1Oc2ccccc2NC1=O)Nc1cccc([N+](=O)[O-])c1 ZINC000007916089 462757669 /nfs/dbraw/zinc/75/76/69/462757669.db2.gz SKSOBWXKWULQMQ-CQSZACIVSA-N 0 0 327.296 2.323 40 5 EEBBRN CCO[C@@H]1C[C@@H](NC(=O)CCn2cc([N+](=O)[O-])cn2)C12CCCC2 ZINC000096432506 463261355 /nfs/dbraw/zinc/26/13/55/463261355.db2.gz RUWHUXDGHHVKAI-ZIAGYGMSSA-N 0 0 336.392 2.035 40 5 EEBBRN C[C@@H](N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC1)C(F)(F)F ZINC000096454430 463274162 /nfs/dbraw/zinc/27/41/62/463274162.db2.gz GZTAUEAMEPHGGX-SECBINFHSA-N 0 0 349.284 2.443 40 5 EEBBRN COc1cc(N2CCN(C(=O)[C@H]3C[C@H]3C)CC2)c([N+](=O)[O-])cc1F ZINC000096466622 463277943 /nfs/dbraw/zinc/27/79/43/463277943.db2.gz SXSLCXRSVMRBEV-MNOVXSKESA-N 0 0 337.351 2.047 40 5 EEBBRN O=[N+]([O-])c1ccc(CCS(=O)(=O)NCc2cccc(F)c2)cc1 ZINC000096500058 463290243 /nfs/dbraw/zinc/29/02/43/463290243.db2.gz JTFOXVCWFKSXRY-UHFFFAOYSA-N 0 0 338.360 2.396 40 5 EEBBRN CCc1ccc(CNc2cc([N+](=O)[O-])ccc2S(N)(=O)=O)s1 ZINC000096501023 463292062 /nfs/dbraw/zinc/29/20/62/463292062.db2.gz UQOMLMLXARUZGW-UHFFFAOYSA-N 0 0 341.414 2.478 40 5 EEBBRN CCc1nnc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)o1 ZINC000059213361 463640065 /nfs/dbraw/zinc/64/00/65/463640065.db2.gz UPMJLIDRVXSFBZ-UHFFFAOYSA-N 0 0 338.345 2.280 40 5 EEBBRN COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@@H](C1=O)[C@H]1C=C[C@@H]2CC1 ZINC000005019209 286249606 /nfs/dbraw/zinc/24/96/06/286249606.db2.gz RVKRGQRTAABIGB-LMHVJCSRSA-N 0 0 328.324 2.305 40 5 EEBBRN COc1cccc([C@@H]2SCC(=O)N2c2nncs2)c1[N+](=O)[O-] ZINC000005766527 277457615 /nfs/dbraw/zinc/45/76/15/277457615.db2.gz BOFDFDZKNHAFGF-NSHDSACASA-N 0 0 338.370 2.234 40 5 EEBBRN CO[C@@H](c1ccc(F)cc1)[C@H](C)NC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000390834249 293575116 /nfs/dbraw/zinc/57/51/16/293575116.db2.gz VCXTVJDUNHYNDO-ZUZCIYMTSA-N 0 0 348.334 2.449 40 5 EEBBRN Nc1cccc([N+](=O)[O-])c1C(=O)Nc1nncn1Cc1ccccc1 ZINC000195555715 323514664 /nfs/dbraw/zinc/51/46/64/323514664.db2.gz RAMJYFIVSPAEPM-UHFFFAOYSA-N 0 0 338.327 2.069 40 5 EEBBRN O=C(COC(=O)c1ccc([N+](=O)[O-])cc1)Nc1cccc([N+](=O)[O-])c1 ZINC000003383951 462617521 /nfs/dbraw/zinc/61/75/21/462617521.db2.gz HVQCKFHVNIMAQS-UHFFFAOYSA-N 0 0 345.267 2.299 40 5 EEBBRN CCc1[nH]c(=O)nc(N)c1-c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000005487635 462660229 /nfs/dbraw/zinc/66/02/29/462660229.db2.gz RNZAXCFXIMBPEO-UHFFFAOYSA-N 0 0 343.387 2.480 40 5 EEBBRN CN(Cc1nccs1)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000096483672 463282325 /nfs/dbraw/zinc/28/23/25/463282325.db2.gz OUIVRSSDHNPFQK-UHFFFAOYSA-N 0 0 327.387 2.013 40 5 EEBBRN O=[N+]([O-])c1cccc(-c2ncn(Cc3ncnn3-c3ccccc3)n2)c1 ZINC000225571257 464172382 /nfs/dbraw/zinc/17/23/82/464172382.db2.gz QRQMLAWKZLIOON-UHFFFAOYSA-N 0 0 347.338 2.482 40 5 EEBBRN CN(Cc1csc([N+](=O)[O-])c1)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000248116902 464730192 /nfs/dbraw/zinc/73/01/92/464730192.db2.gz LQHCYTYGYFFYIP-VXGBXAGGSA-N 0 0 332.447 2.444 40 5 EEBBRN Cc1ccc(S(=O)(=O)N2c3ccccc3C[C@H]2CO)cc1[N+](=O)[O-] ZINC000585141079 468990414 /nfs/dbraw/zinc/99/04/14/468990414.db2.gz OUHFOOOQJINFFZ-ZDUSSCGKSA-N 0 0 348.380 2.016 40 5 EEBBRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN=C1c1ccccc1 ZINC000072414431 216204855 /nfs/dbraw/zinc/20/48/55/216204855.db2.gz ZYMMSEOXZPFAHM-UHFFFAOYSA-N 0 0 345.380 2.354 40 5 EEBBRN CCn1c(/C=C/N(C)C)c(C(=O)OC)c(=O)c2cc([N+](=O)[O-])ccc21 ZINC000255188359 244045613 /nfs/dbraw/zinc/04/56/13/244045613.db2.gz JNXRXPSIUSCNTL-CMDGGOBGSA-N 0 0 345.355 2.249 40 5 EEBBRN COc1ccc(-c2noc(CCn3cc([N+](=O)[O-])nc3C)n2)cc1 ZINC000078774160 217118880 /nfs/dbraw/zinc/11/88/80/217118880.db2.gz MJRHCWZXILZHAO-UHFFFAOYSA-N 0 0 329.316 2.401 40 5 EEBBRN Cc1nn(C)c(C)c1[C@@H](C)NC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000096430749 218804572 /nfs/dbraw/zinc/80/45/72/218804572.db2.gz FUUIOTZIKOQELI-LLVKDONJSA-N 0 0 345.403 2.259 40 5 EEBBRN CC(C)(NC(=O)CNC(=O)c1cccs1)c1ccc([N+](=O)[O-])cc1 ZINC000096456606 218842053 /nfs/dbraw/zinc/84/20/53/218842053.db2.gz KVKIDGXTFIUXRP-UHFFFAOYSA-N 0 0 347.396 2.438 40 5 EEBBRN COC(=O)c1c([N+](=O)[O-])c(Br)cc(OC)c1[N+](=O)[O-] ZINC000002572938 277148605 /nfs/dbraw/zinc/14/86/05/277148605.db2.gz GJNLBOKRBFNVKQ-UHFFFAOYSA-N 0 0 335.066 2.061 40 5 EEBBRN Cc1ncc([N+](=O)[O-])n1CCn1cc(C(F)(F)Cl)ccc1=O ZINC000005387360 462657761 /nfs/dbraw/zinc/65/77/61/462657761.db2.gz YEQXZPOVFDCJLZ-UHFFFAOYSA-N 0 0 332.694 2.250 40 5 EEBBRN [NH3+][C@@H](Cc1ccccc1)c1nc(-c2cc([N+](=O)[O-])ccc2[O-])n[nH]1 ZINC000095534926 463109248 /nfs/dbraw/zinc/10/92/48/463109248.db2.gz OECVWHJTMOHERB-ZDUSSCGKSA-N 0 0 325.328 2.328 40 5 EEBBRN O=C(c1ccc(O)cc1)N1CCN(Cc2csc([N+](=O)[O-])c2)CC1 ZINC000096449182 463271976 /nfs/dbraw/zinc/27/19/76/463271976.db2.gz RZDVVIMONCVDLZ-UHFFFAOYSA-N 0 0 347.396 2.320 40 5 EEBBRN CCCNC(=O)[C@H]1CCCN(c2c3c(ccc2[N+](=O)[O-])NCC3)C1 ZINC000225511616 464168212 /nfs/dbraw/zinc/16/82/12/464168212.db2.gz SVHAMJZSPNTVAS-LBPRGKRZSA-N 0 0 332.404 2.305 40 5 EEBBRN NC(=O)c1cn(C(=O)COc2ccc([N+](=O)[O-])cc2)c2ccccc12 ZINC000216935031 241224951 /nfs/dbraw/zinc/22/49/51/241224951.db2.gz TYGVEDJNFPZCQC-UHFFFAOYSA-N 0 0 339.307 2.368 40 5 EEBBRN O=[N+]([O-])c1cc(Br)cnc1NCc1nnc2ccccn21 ZINC000095416431 218355064 /nfs/dbraw/zinc/35/50/64/218355064.db2.gz QWTCAXSCNICEMG-UHFFFAOYSA-N 0 0 349.148 2.407 40 5 EEBBRN Cc1cc(C(=O)NCC(=O)N(C)[C@H](C)c2ccco2)ccc1[N+](=O)[O-] ZINC000097238736 219004335 /nfs/dbraw/zinc/00/43/35/219004335.db2.gz IANPMMRQZHVLQU-GFCCVEGCSA-N 0 0 345.355 2.446 40 5 EEBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nccc(C)n1 ZINC000003275569 462614253 /nfs/dbraw/zinc/61/42/53/462614253.db2.gz BNKWERZNXCEQQN-UHFFFAOYSA-N 0 0 334.357 2.433 40 5 EEBBRN N[C@@H](c1nc(Cc2ccc([N+](=O)[O-])cc2)n[nH]1)c1ccc(F)cc1 ZINC000095533316 463106681 /nfs/dbraw/zinc/10/66/81/463106681.db2.gz GARURNDAUFPKEL-OAHLLOKOSA-N 0 0 327.319 2.491 40 5 EEBBRN COc1ccc([C@@H](N)c2nc(-c3ccccc3[N+](=O)[O-])n[nH]2)cc1 ZINC000095533665 463107160 /nfs/dbraw/zinc/10/71/60/463107160.db2.gz ZLKJAZMOLFAKIX-CQSZACIVSA-N 0 0 325.328 2.437 40 5 EEBBRN NS(=O)(=O)c1ccc([N+](=O)[O-])cc1NCc1ccc2c(c1)CCC2 ZINC000096501024 463291376 /nfs/dbraw/zinc/29/13/76/463291376.db2.gz FLQNCRFPQWWCCR-UHFFFAOYSA-N 0 0 347.396 2.343 40 5 EEBBRN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H]1CCCC[C@H]1C ZINC000042985614 463610561 /nfs/dbraw/zinc/61/05/61/463610561.db2.gz DOFPKHZDYGLQNB-PWSUYJOCSA-N 0 0 328.390 2.460 40 5 EEBBRN O=C1OC(c2ccco2)=N/C1=C/c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000205645336 464097588 /nfs/dbraw/zinc/09/75/88/464097588.db2.gz LZJSYFJMJTYWHG-UXBLZVDNSA-N 0 0 329.224 2.441 40 5 EEBBRN CN(C)C(=O)N1CCN(Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000225476481 464163884 /nfs/dbraw/zinc/16/38/84/464163884.db2.gz PDDKSTDNDXUBFY-UHFFFAOYSA-N 0 0 326.784 2.047 40 5 EEBBRN CCCNC(=O)[C@@H]1CCCN(c2c3c(ccc2[N+](=O)[O-])NCC3)C1 ZINC000225511582 464168309 /nfs/dbraw/zinc/16/83/09/464168309.db2.gz SVHAMJZSPNTVAS-GFCCVEGCSA-N 0 0 332.404 2.305 40 5 EEBBRN O=[N+]([O-])c1ncn(CCOc2cc(F)cc(Br)c2)n1 ZINC000188192356 464220495 /nfs/dbraw/zinc/22/04/95/464220495.db2.gz AMWOCSGRQQWOEQ-UHFFFAOYSA-N 0 0 331.101 2.167 40 5 EEBBRN O=C1NCCN(Cc2c(F)cccc2[N+](=O)[O-])[C@H]1c1cccs1 ZINC000072800050 216307831 /nfs/dbraw/zinc/30/78/31/216307831.db2.gz FOKQCBUTSGAKOA-AWEZNQCLSA-N 0 0 335.360 2.469 40 5 EEBBRN CN1C(=O)c2ccc(NC(=O)Cc3ccc([N+](=O)[O-])cc3)cc2C1=O ZINC000050041242 214041331 /nfs/dbraw/zinc/04/13/31/214041331.db2.gz PKATXFUYFKYYHV-UHFFFAOYSA-N 0 0 339.307 2.002 40 5 EEBBRN O=C(Nc1cccnc1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000017067201 257857350 /nfs/dbraw/zinc/85/73/50/257857350.db2.gz ZVLCLOCRGYAXPS-UHFFFAOYSA-N 0 0 328.328 2.079 40 5 EEBBRN CNC(=O)[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000096427358 463257246 /nfs/dbraw/zinc/25/72/46/463257246.db2.gz FTROQNRSIJFHNF-SECBINFHSA-N 0 0 342.193 2.320 40 5 EEBBRN Cc1c(C(=O)NC[C@H]2COc3ccccc3O2)cccc1[N+](=O)[O-] ZINC000031240527 463330385 /nfs/dbraw/zinc/33/03/85/463330385.db2.gz VNZVIBIXMQDWNI-LBPRGKRZSA-N 0 0 328.324 2.473 40 5 EEBBRN CCc1nc(Sc2c(Cl)cc(C(N)=O)cc2[N+](=O)[O-])n[nH]1 ZINC000070462517 463376537 /nfs/dbraw/zinc/37/65/37/463376537.db2.gz ZYLXPRIMKDKOCC-UHFFFAOYSA-N 0 0 327.753 2.179 40 5 EEBBRN O=C(c1ccc([N+](=O)[O-])c(Cl)c1)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000186429108 463998155 /nfs/dbraw/zinc/99/81/55/463998155.db2.gz HGXAEEAXGRFFTI-NSHDSACASA-N 0 0 338.669 2.388 40 5 EEBBRN CC(C)(C)OC(=O)c1cn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])nn1 ZINC000004265353 210155683 /nfs/dbraw/zinc/15/56/83/210155683.db2.gz MERURJAROADCOU-UHFFFAOYSA-N 0 0 335.276 2.039 40 5 EEBBRN COCCCn1ccc2nc3ccn(C4CC4)c(=O)c3cc2c1=O ZINC000038829393 213226941 /nfs/dbraw/zinc/22/69/41/213226941.db2.gz ZFYFVULCYGIKJN-UHFFFAOYSA-N 0 0 325.368 2.083 40 5 EEBBRN O=C(N[C@@H](Cn1cncn1)c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000078551929 303822996 /nfs/dbraw/zinc/82/29/96/303822996.db2.gz HRVOJUUIPJWRCT-HNNXBMFYSA-N 0 0 337.339 2.358 40 5 EEBBRN O=C1NC(c2cccc([N+](=O)[O-])c2)=N/C1=C\c1ccc2c(c1)OCO2 ZINC000016399822 462978066 /nfs/dbraw/zinc/97/80/66/462978066.db2.gz KSQPZMPDPTZDGG-MLPAPPSSSA-N 0 0 337.291 2.241 40 5 EEBBRN CCC(CC)(C(=O)OC)C(=O)Oc1cc(OC)ccc1[N+](=O)[O-] ZINC000016611300 462984462 /nfs/dbraw/zinc/98/44/62/462984462.db2.gz LUYAWJPCJYSVER-UHFFFAOYSA-N 0 0 325.317 2.488 40 5 EEBBRN O=[N+]([O-])c1cnn(C[C@@H](O)CSc2ccc3ccccc3n2)c1 ZINC000096435698 463263707 /nfs/dbraw/zinc/26/37/07/463263707.db2.gz PIJGJYAIAHCKDG-CYBMUJFWSA-N 0 0 330.369 2.493 40 5 EEBBRN Cc1cc([C@H](C)NS(=O)(=O)c2ccc([N+](=O)[O-])nc2)c(C)o1 ZINC000195171606 464010693 /nfs/dbraw/zinc/01/06/93/464010693.db2.gz FRCVRGSVORLRKD-VIFPVBQESA-N 0 0 325.346 2.239 40 5 EEBBRN CCOC(=O)CN1C(=O)S/C(=C/c2ccccc2[N+](=O)[O-])C1=O ZINC000205689559 464097580 /nfs/dbraw/zinc/09/75/80/464097580.db2.gz SGCUGZGNXZUUDR-YRNVUSSQSA-N 0 0 336.325 2.194 40 5 EEBBRN CC1(C)CC(=O)C2=C(c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)NN[C@H]2C1 ZINC000228920999 464193441 /nfs/dbraw/zinc/19/34/41/464193441.db2.gz JWSBTKMAGUGBIF-AAEUAGOBSA-N 0 0 332.316 2.184 40 5 EEBBRN O=C(CNC(=O)OCc1ccccc1)Oc1ccccc1[N+](=O)[O-] ZINC000001869851 209802507 /nfs/dbraw/zinc/80/25/07/209802507.db2.gz QLQCLAKOYRMJTG-UHFFFAOYSA-N 0 0 330.296 2.427 40 5 EEBBRN CCC(=O)N1CSC[C@H]1C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000078461839 217057091 /nfs/dbraw/zinc/05/70/91/217057091.db2.gz FXXBREGLDNFDOO-NSHDSACASA-N 0 0 343.792 2.498 40 5 EEBBRN Cc1c([N+](=O)[O-])cc(C(C)(C)C)c(OS(C)(=O)=O)c1[N+](=O)[O-] ZINC000001736517 280258957 /nfs/dbraw/zinc/25/89/57/280258957.db2.gz XRRXZROQNHWBSE-UHFFFAOYSA-N 0 0 332.334 2.447 40 5 EEBBRN O=C(C=Cc1ccco1)NC(=S)NNc1ccc([N+](=O)[O-])cc1 ZINC000014257556 462922923 /nfs/dbraw/zinc/92/29/23/462922923.db2.gz RLRJUNBIHVIDPB-BQYQJAHWSA-N 0 0 332.341 2.219 40 5 EEBBRN CC(C)[C@@H](C(=O)N1CCc2c1cccc2[N+](=O)[O-])N1CCCC1=O ZINC000078149118 463087095 /nfs/dbraw/zinc/08/70/95/463087095.db2.gz NXABEMVJILVZGN-INIZCTEOSA-N 0 0 331.372 2.131 40 5 EEBBRN COc1cccc([C@H](N)c2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)c1 ZINC000095533516 463106489 /nfs/dbraw/zinc/10/64/89/463106489.db2.gz IVKHRKAMPZRSEW-AWEZNQCLSA-N 0 0 325.328 2.437 40 5 EEBBRN O=C(c1cc([N+](=O)[O-])cc2c1OCCO2)N1CCOc2ccccc21 ZINC000096403610 463238422 /nfs/dbraw/zinc/23/84/22/463238422.db2.gz LMLUYHWJFSWHDL-UHFFFAOYSA-N 0 0 342.307 2.405 40 5 EEBBRN O=C(NCc1cccc([N+](=O)[O-])c1)N1CCC(O)(C(F)(F)F)CC1 ZINC000096491821 463287230 /nfs/dbraw/zinc/28/72/30/463287230.db2.gz CRMRUQVRNRVKKF-UHFFFAOYSA-N 0 0 347.293 2.194 40 5 EEBBRN Cn1c(=O)nc2n(-c3ccccc3)c3ccc([N+](=O)[O-])cc3cc-2c1=O ZINC000059497824 463644482 /nfs/dbraw/zinc/64/44/82/463644482.db2.gz WEJUVEOAHRQKKK-UHFFFAOYSA-N 0 0 348.318 2.097 40 5 EEBBRN CC(=O)N1CC[C@@H](C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC000195555672 464076480 /nfs/dbraw/zinc/07/64/80/464076480.db2.gz FWVQLMTYJCGZMW-SECBINFHSA-N 0 0 345.277 2.421 40 5 EEBBRN CO[C@@H](C)c1nsc(N2CCN(c3ccccc3[N+](=O)[O-])CC2)n1 ZINC000240744047 464447521 /nfs/dbraw/zinc/44/75/21/464447521.db2.gz HUEKDYWGQSFUQT-NSHDSACASA-N 0 0 349.416 2.480 40 5 EEBBRN CC(C)CN(Cc1ccc([N+](=O)[O-])cc1)[C@H]1CCS(=O)(=O)C1 ZINC000575421035 468143978 /nfs/dbraw/zinc/14/39/78/468143978.db2.gz MKYRTBRZTXTUCA-HNNXBMFYSA-N 0 0 326.418 2.240 40 5 EEBBRN COc1ccc(CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000007871840 210858499 /nfs/dbraw/zinc/85/84/99/210858499.db2.gz CADRSQAUTPCPIH-UHFFFAOYSA-N 0 0 336.369 2.424 40 5 EEBBRN CC(C)(C)CNC(=O)C(C)(C)NC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000096489400 218866734 /nfs/dbraw/zinc/86/67/34/218866734.db2.gz JQSBQUUXDRNDGN-UHFFFAOYSA-N 0 0 339.367 2.405 40 5 EEBBRN O=Cc1cc([N+](=O)[O-])ccc1N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12 ZINC000006923205 296443330 /nfs/dbraw/zinc/44/33/30/296443330.db2.gz YOBXLVCZRDTZTB-QWHCGFSZSA-N 0 0 339.351 2.193 40 5 EEBBRN O=C1OC(c2ccc([N+](=O)[O-])cc2)=N/C1=C/c1ccc(O)cc1O ZINC000408842912 257887437 /nfs/dbraw/zinc/88/74/37/257887437.db2.gz KLTNZEHVMCHNOI-NTUHNPAUSA-N 0 0 326.264 2.351 40 5 EEBBRN C[C@]12C=C[C@H](O1)[C@H]1C(=O)N(c3cc([N+](=O)[O-])ccc3Cl)C(=O)[C@@H]12 ZINC000005017569 280175775 /nfs/dbraw/zinc/17/57/75/280175775.db2.gz PPMVVZMNIQGGOV-FUTJPDQTSA-N 0 0 334.715 2.081 40 5 EEBBRN COc1ccc(O)c(NC(=S)NC(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000014257617 462923125 /nfs/dbraw/zinc/92/31/25/462923125.db2.gz UKUAUYIZCUCXOO-UHFFFAOYSA-N 0 0 347.352 2.436 40 5 EEBBRN CCOc1ccc(C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1[N+](=O)[O-] ZINC000014258511 462923287 /nfs/dbraw/zinc/92/32/87/462923287.db2.gz KWWVQXMRAUGQBE-UHFFFAOYSA-N 0 0 342.311 2.415 40 5 EEBBRN CC(=O)N[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000096453574 463274614 /nfs/dbraw/zinc/27/46/14/463274614.db2.gz BLRSXMVWFLIQMJ-JTQLQIEISA-N 0 0 342.193 2.462 40 5 EEBBRN Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CCCN(c2cccnn2)C1 ZINC000194721081 463915308 /nfs/dbraw/zinc/91/53/08/463915308.db2.gz LFVBLYYUBVJXKC-CYBMUJFWSA-N 0 0 341.371 2.092 40 5 EEBBRN CN(C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)[C@@H](CO)C(C)(C)C ZINC000195561530 464076945 /nfs/dbraw/zinc/07/69/45/464076945.db2.gz BOWBNRMTUOJBAJ-HNNXBMFYSA-N 0 0 346.387 2.260 40 5 EEBBRN Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CCN(C(=O)C2CCCC2)C1 ZINC000225562504 464171847 /nfs/dbraw/zinc/17/18/47/464171847.db2.gz CMLXMRVPUCNVAV-AWEZNQCLSA-N 0 0 345.399 2.424 40 5 EEBBRN Cc1ccc(C)c(S(=O)(=O)N(C)Cc2cscn2)c1[N+](=O)[O-] ZINC000189888880 464561428 /nfs/dbraw/zinc/56/14/28/464561428.db2.gz QQAOWPKRJGPMHR-UHFFFAOYSA-N 0 0 341.414 2.489 40 5 EEBBRN Nc1ccc([N+](=O)[O-])c(NCCN2CCc3ccccc3C2=O)c1 ZINC000193524885 240200801 /nfs/dbraw/zinc/20/08/01/240200801.db2.gz QJNCXPFTHNFSJU-UHFFFAOYSA-N 0 0 326.356 2.287 40 5 EEBBRN COc1ccc(Sc2nnc(C(F)(F)F)n2N)c([N+](=O)[O-])c1 ZINC000078406466 217048850 /nfs/dbraw/zinc/04/88/50/217048850.db2.gz VCKMXPGBMRXDEK-UHFFFAOYSA-N 0 0 335.267 2.079 40 5 EEBBRN COc1ccc(C(=O)NC(=S)NCc2ccco2)cc1[N+](=O)[O-] ZINC000009140887 211043975 /nfs/dbraw/zinc/04/39/75/211043975.db2.gz CKCPMDNGPFKRAR-UHFFFAOYSA-N 0 0 335.341 2.001 40 5 EEBBRN Cc1cc(C(=O)OCCn2cnc([N+](=O)[O-])n2)c(Cl)cc1F ZINC000096470546 218848290 /nfs/dbraw/zinc/84/82/90/218848290.db2.gz KTKBMLQKWAJIHQ-UHFFFAOYSA-N 0 0 328.687 2.144 40 5 EEBBRN COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@H]3C=C[C@@H]([C@@H]2C1=O)C31CC1 ZINC000005099966 210389460 /nfs/dbraw/zinc/38/94/60/210389460.db2.gz HTAHJPIEXZJIMF-JLUCKKNBSA-N 0 0 340.335 2.305 40 5 EEBBRN C[C@@H]1CC[C@@]2(CCN(c3cccc(S(N)(=O)=O)c3[N+](=O)[O-])C2)C1 ZINC000097376213 323322335 /nfs/dbraw/zinc/32/23/35/323322335.db2.gz INNZNWVRLJINNG-IAQYHMDHSA-N 0 0 339.417 2.259 40 5 EEBBRN Cc1cccc(OCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000048439445 462910277 /nfs/dbraw/zinc/91/02/77/462910277.db2.gz KLFXBYAMBOGGNA-UHFFFAOYSA-N 0 0 336.369 2.261 40 5 EEBBRN CC(=O)n1cnc2c1SC(c1cccc([N+](=O)[O-])c1)=NN2C(C)=O ZINC000016777248 462990067 /nfs/dbraw/zinc/99/00/67/462990067.db2.gz SVXLQBLJAISUOK-UHFFFAOYSA-N 0 0 345.340 2.272 40 5 EEBBRN CCc1nsc(N2CCCN(c3ccncc3[N+](=O)[O-])CC2)n1 ZINC000096436797 463264780 /nfs/dbraw/zinc/26/47/80/463264780.db2.gz KCJCONAMWFHGLD-UHFFFAOYSA-N 0 0 334.405 2.120 40 5 EEBBRN CC[C@@H]1c2ccsc2CCN1C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000096468029 463278271 /nfs/dbraw/zinc/27/82/71/463278271.db2.gz SCVBBKBQIUFKDO-GFCCVEGCSA-N 0 0 347.396 2.354 40 5 EEBBRN Cc1cccn(CC(=O)N2c3ccc([N+](=O)[O-])cc3C[C@@H]2C)c1=O ZINC000097103479 463325058 /nfs/dbraw/zinc/32/50/58/463325058.db2.gz JAYIXJRJDBDBHO-LBPRGKRZSA-N 0 0 327.340 2.043 40 5 EEBBRN CCOC(=O)C1=C(C)NC(SC)=N[C@H]1c1ccc([N+](=O)[O-])o1 ZINC000408730540 466683579 /nfs/dbraw/zinc/68/35/79/466683579.db2.gz HQZOAEKBFUELNF-NSHDSACASA-N 0 0 325.346 2.388 40 5 EEBBRN CCOc1cccc(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000020453139 212131244 /nfs/dbraw/zinc/13/12/44/212131244.db2.gz FOMCAZZZGWBRBR-UHFFFAOYSA-N 0 0 336.369 2.472 40 5 EEBBRN Cc1occc1CN(C)C(=O)CNC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000097238755 219004658 /nfs/dbraw/zinc/00/46/58/219004658.db2.gz NUKSYADCDNMXJW-UHFFFAOYSA-N 0 0 345.355 2.193 40 5 EEBBRN O=c1ccc(C(F)(F)F)cn1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000003200722 275043846 /nfs/dbraw/zinc/04/38/46/275043846.db2.gz FHACVCKCJNTWJB-UHFFFAOYSA-N 0 0 348.258 2.012 40 5 EEBBRN COc1cccc(C(=O)OCC(=O)Nc2ccccc2[N+](=O)[O-])c1 ZINC000006604620 462692252 /nfs/dbraw/zinc/69/22/52/462692252.db2.gz CPHQUBOCYBFKRM-UHFFFAOYSA-N 0 0 330.296 2.399 40 5 EEBBRN COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@@H](C1=O)[C@@H]1C=C[C@H]2CC1 ZINC000017067195 462993283 /nfs/dbraw/zinc/99/32/83/462993283.db2.gz QFLZTPLXHOAYJQ-OWLDWWDNSA-N 0 0 328.324 2.305 40 5 EEBBRN Cc1cnc(N2CCN(C(=O)c3cccc(F)c3)CC2)c([N+](=O)[O-])c1 ZINC000078629458 463135769 /nfs/dbraw/zinc/13/57/69/463135769.db2.gz KVLSLMVUOFVPKE-UHFFFAOYSA-N 0 0 344.346 2.400 40 5 EEBBRN O=C(C[C@H]1C=CCC1)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000096418809 463250785 /nfs/dbraw/zinc/25/07/85/463250785.db2.gz WXZFLKMFSQBJEJ-AWEZNQCLSA-N 0 0 343.383 2.236 40 5 EEBBRN CCc1cc(N2CCC(Nc3c([N+](=O)[O-])c(C)nn3C)CC2)ncn1 ZINC000096449463 463272270 /nfs/dbraw/zinc/27/22/70/463272270.db2.gz VVVVEXHLZIYGIT-UHFFFAOYSA-N 0 0 345.407 2.070 40 5 EEBBRN Cc1cccc(C(=O)NC[C@@H](O)COc2ccc([N+](=O)[O-])cc2)c1C ZINC000058161235 463544863 /nfs/dbraw/zinc/54/48/63/463544863.db2.gz OSJIVVPIMFVKER-OAHLLOKOSA-N 0 0 344.367 2.381 40 5 EEBBRN O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N1CCc2cnccc21 ZINC000175316063 464525463 /nfs/dbraw/zinc/52/54/63/464525463.db2.gz VQPBKIAFWVGZGK-UHFFFAOYSA-N 0 0 339.760 2.395 40 5 EEBBRN COC(=O)c1cc(C)nc(NCCc2c(C)nn(C)c2C)c1[N+](=O)[O-] ZINC000252498486 464970299 /nfs/dbraw/zinc/97/02/99/464970299.db2.gz RDBOBJCUGMOPJG-UHFFFAOYSA-N 0 0 347.375 2.090 40 5 EEBBRN CC(=O)N[C@@H]1CCCC[C@]12CN(Cc1cccc([N+](=O)[O-])c1)CCO2 ZINC000306132362 466492565 /nfs/dbraw/zinc/49/25/65/466492565.db2.gz LGLNETNOAKOGMQ-MSOLQXFVSA-N 0 0 347.415 2.245 40 5 EEBBRN Cc1cc(S(=O)(=O)N2c3ccccc3C[C@H]2CO)ccc1[N+](=O)[O-] ZINC000585141272 468990682 /nfs/dbraw/zinc/99/06/82/468990682.db2.gz SNLXUXQVUNPUHE-ZDUSSCGKSA-N 0 0 348.380 2.016 40 5 EEBBRN CC[C@H](C)Nc1nc2nc3ccc(C)cn3c(=O)c2cc1C(=O)NC ZINC000004520320 210212181 /nfs/dbraw/zinc/21/21/81/210212181.db2.gz ABBHJRHTBYQHJG-NSHDSACASA-N 0 0 339.399 2.121 40 5 EEBBRN CCOc1cccc(CNS(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000020490941 212138698 /nfs/dbraw/zinc/13/86/98/212138698.db2.gz ZHSFOARXYBGPMI-UHFFFAOYSA-N 0 0 336.369 2.472 40 5 EEBBRN Cc1ccc(C(=O)N2CCN(c3nccc(C)c3[N+](=O)[O-])CC2)o1 ZINC000096406525 278785393 /nfs/dbraw/zinc/78/53/93/278785393.db2.gz QHBVNQOXOWQRCX-UHFFFAOYSA-N 0 0 330.344 2.162 40 5 EEBBRN NC(=O)Cc1ccc(NC(=O)CCc2cccc([N+](=O)[O-])c2)cc1 ZINC000087099063 462588404 /nfs/dbraw/zinc/58/84/04/462588404.db2.gz IWSAVRKWXJUACU-UHFFFAOYSA-N 0 0 327.340 2.194 40 5 EEBBRN O=c1[nH]c(SCc2ccccc2)nn2c(=O)c3ccccc3nc12 ZINC000006677882 462696124 /nfs/dbraw/zinc/69/61/24/462696124.db2.gz IZRUQZPZXLQTEW-UHFFFAOYSA-N 0 0 336.376 2.223 40 5 EEBBRN Cc1ncc(CNS(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)s1 ZINC000096451023 463273171 /nfs/dbraw/zinc/27/31/71/463273171.db2.gz KRMKAOWKSFCUQH-UHFFFAOYSA-N 0 0 341.414 2.455 40 5 EEBBRN C[C@]1(CO)CCC[C@@H]1NC(=O)c1cnc(-c2cccc([N+](=O)[O-])c2)[nH]1 ZINC000097096084 463322270 /nfs/dbraw/zinc/32/22/70/463322270.db2.gz YMFUARIWTNLLNN-WMLDXEAASA-N 0 0 344.371 2.266 40 5 EEBBRN CC(C)(C)c1nc(CNC(=O)c2cc([N+](=O)[O-])cnc2N)cs1 ZINC000097375975 463356834 /nfs/dbraw/zinc/35/68/34/463356834.db2.gz SURWLGGHXPWWIF-UHFFFAOYSA-N 0 0 335.389 2.256 40 5 EEBBRN Cc1cccc(C(=O)NC[C@H](O)COc2ccc([N+](=O)[O-])cc2)c1C ZINC000058161232 463545758 /nfs/dbraw/zinc/54/57/58/463545758.db2.gz OSJIVVPIMFVKER-HNNXBMFYSA-N 0 0 344.367 2.381 40 5 EEBBRN COc1cccc(OCCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1 ZINC000059461476 463642757 /nfs/dbraw/zinc/64/27/57/463642757.db2.gz VYRGATOXSWUHIH-UHFFFAOYSA-N 0 0 342.307 2.278 40 5 EEBBRN CCC1(CC)CC(=O)N(CCC(=O)Nc2ccccc2[N+](=O)[O-])C1=O ZINC000225703180 464180875 /nfs/dbraw/zinc/18/08/75/464180875.db2.gz GCZFQSHPSBVFAD-UHFFFAOYSA-N 0 0 347.371 2.489 40 5 EEBBRN CNc1ccc(Nc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])cn1 ZINC000253396532 465000037 /nfs/dbraw/zinc/00/00/37/465000037.db2.gz CAXNJONUFVLZIO-UHFFFAOYSA-N 0 0 328.375 2.240 40 5 EEBBRN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1c2ccccc2C[C@@H]1CO ZINC000585140394 468988663 /nfs/dbraw/zinc/98/86/63/468988663.db2.gz DBDZPICWRJTHAG-CYBMUJFWSA-N 0 0 348.380 2.016 40 5 EEBBRN Cc1ccc(NCCCNC(=O)[C@H](C)n2ccnc2)c([N+](=O)[O-])c1 ZINC000096417190 463249615 /nfs/dbraw/zinc/24/96/15/463249615.db2.gz BFCDYIOCMVDFCV-ZDUSSCGKSA-N 0 0 331.376 2.279 40 5 EEBBRN Cc1noc(C)c1CN(C)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000096483650 463282580 /nfs/dbraw/zinc/28/25/80/463282580.db2.gz HZEVIGAREGHYQX-UHFFFAOYSA-N 0 0 339.373 2.161 40 5 EEBBRN CN(C[C@@H](O)c1ccc(F)cc1)C(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000097235028 463352714 /nfs/dbraw/zinc/35/27/14/463352714.db2.gz QRJPMQMXDVDMGQ-CQSZACIVSA-N 0 0 333.319 2.122 40 5 EEBBRN Cc1cnc(CNS(=O)(=O)c2cc(F)c(C)c([N+](=O)[O-])c2)s1 ZINC000195567393 464078318 /nfs/dbraw/zinc/07/83/18/464078318.db2.gz JRFFFILWGFTANQ-UHFFFAOYSA-N 0 0 345.377 2.286 40 5 EEBBRN Cc1cc(C(=O)N2CCC[C@H](C3(C)OCCO3)C2)c(N)c([N+](=O)[O-])c1 ZINC000182430745 464653453 /nfs/dbraw/zinc/65/34/53/464653453.db2.gz FNDJVJOYSRMYDN-LBPRGKRZSA-N 0 0 349.387 2.101 40 5 EEBBRN C[C@@H]1[C@@H](C)CCC[C@@H]1n1ccc2nc3ccn(N)c(=O)c3cc2c1=O ZINC000040398617 213297967 /nfs/dbraw/zinc/29/79/67/213297967.db2.gz SGDONNJHAFBSFT-JKDFXYPNSA-N 0 0 338.411 2.422 40 5 EEBBRN Cc1cccc(OCC(=O)NC(=O)NCc2cccs2)c1[N+](=O)[O-] ZINC000131194677 223212653 /nfs/dbraw/zinc/21/26/53/223212653.db2.gz DUVZTBOEHOODRG-UHFFFAOYSA-N 0 0 349.368 2.370 40 5 EEBBRN O=C(Nc1c(N2CCCC2)cccc1N1CCCC1)[C@H]1CC1[N+](=O)[O-] ZINC000078877821 217136144 /nfs/dbraw/zinc/13/61/44/217136144.db2.gz UVJYYWODUVPXCO-XJKSGUPXSA-N 0 0 344.415 2.491 40 5 EEBBRN CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000078879430 217137277 /nfs/dbraw/zinc/13/72/77/217137277.db2.gz FGHGKKFAPPXNRV-LBPRGKRZSA-N 0 0 335.360 2.334 40 5 EEBBRN Cc1nn(C)c(N2CCC(c3nnc(C4CC4)[nH]3)CC2)c1[N+](=O)[O-] ZINC000078880254 217137467 /nfs/dbraw/zinc/13/74/67/217137467.db2.gz WFNQRAGGEMSICJ-UHFFFAOYSA-N 0 0 331.380 2.016 40 5 EEBBRN O=C(C[C@@H]1Nc2ccccc2OC1=O)Nc1ccccc1[N+](=O)[O-] ZINC000010325462 211164273 /nfs/dbraw/zinc/16/42/73/211164273.db2.gz FLORNZKWFSUEIR-LBPRGKRZSA-N 0 0 327.296 2.323 40 5 EEBBRN O=[N+]([O-])c1ccc(Cl)cc1CN1CCN(c2ncccn2)CC1 ZINC000174807776 275035579 /nfs/dbraw/zinc/03/55/79/275035579.db2.gz AIZMKFYMIKCNBL-UHFFFAOYSA-N 0 0 333.779 2.360 40 5 EEBBRN CCN(CC)c1cc(OC)c([N+](=O)[O-])c(C(=O)OC)c1[N+](=O)[O-] ZINC000005261325 279169705 /nfs/dbraw/zinc/16/97/05/279169705.db2.gz AIWQYBYJDANVFK-UHFFFAOYSA-N 0 0 327.293 2.144 40 5 EEBBRN O=C(Cc1ccccc1)NC(=S)NNc1ccc([N+](=O)[O-])cc1 ZINC000014257557 462923523 /nfs/dbraw/zinc/92/35/23/462923523.db2.gz UTNUMHNOAOZKHP-UHFFFAOYSA-N 0 0 330.369 2.155 40 5 EEBBRN COc1ccc(-n2nc([N+](=O)[O-])c(NC3CCCCC3)[n+]2[O-])cc1 ZINC000016226432 462972391 /nfs/dbraw/zinc/97/23/91/462972391.db2.gz WNGKZVGWRQREPM-UHFFFAOYSA-N 0 0 333.348 2.167 40 5 EEBBRN O=C(CSc1nccc(=O)[nH]1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000033657060 463423710 /nfs/dbraw/zinc/42/37/10/463423710.db2.gz MQOAOBKIDHPDEV-UHFFFAOYSA-N 0 0 340.748 2.475 40 5 EEBBRN Cc1csc(=O)n1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000057985618 463533156 /nfs/dbraw/zinc/53/31/56/463533156.db2.gz PIPMHZQUKFIAKY-UHFFFAOYSA-N 0 0 325.321 2.294 40 5 EEBBRN Cc1cccc([N+](=O)[O-])c1C(=O)NC1CCN(CC(F)F)CC1 ZINC000194504299 463874096 /nfs/dbraw/zinc/87/40/96/463874096.db2.gz UBOYYOQIDCVEGP-UHFFFAOYSA-N 0 0 327.331 2.363 40 5 EEBBRN Cc1noc(C)c1CC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000188463294 464285989 /nfs/dbraw/zinc/28/59/89/464285989.db2.gz VPNOBLISSZKKIV-UHFFFAOYSA-N 0 0 331.328 2.032 40 5 EEBBRN CN(Cc1csc([N+](=O)[O-])c1)[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000248116897 464730722 /nfs/dbraw/zinc/73/07/22/464730722.db2.gz LQHCYTYGYFFYIP-NWDGAFQWSA-N 0 0 332.447 2.444 40 5 EEBBRN CCc1nsc(N2CCCN(c3ncc([N+](=O)[O-])s3)CC2)n1 ZINC000192472770 464932102 /nfs/dbraw/zinc/93/21/02/464932102.db2.gz IZWFSUFPIQKNCD-UHFFFAOYSA-N 0 0 340.434 2.182 40 5 EEBBRN CCn1ccnc(N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c1=O ZINC000179725920 529547902 /nfs/dbraw/zinc/54/79/02/529547902.db2.gz NPVLMTDPZCBRRZ-UHFFFAOYSA-N 0 0 344.371 2.219 40 5 EEBBRN Cc1nn(CC(=O)/N=c2\sc3ccccc3n2C)c(C)c1[N+](=O)[O-] ZINC000103040169 219249299 /nfs/dbraw/zinc/24/92/99/219249299.db2.gz LPLBGUAPYZKOFQ-NXVVXOECSA-N 0 0 345.384 2.089 40 5 EEBBRN O=C(Cc1cccc([N+](=O)[O-])c1)Nc1cc(C2CCOCC2)[nH]n1 ZINC000081100522 217363597 /nfs/dbraw/zinc/36/35/97/217363597.db2.gz IOZRUKTWBBWRBE-UHFFFAOYSA-N 0 0 330.344 2.393 40 5 EEBBRN Cc1n[nH]c(C(=O)NC2(c3cccc(F)c3)CCOCC2)c1[N+](=O)[O-] ZINC000081367579 217390100 /nfs/dbraw/zinc/39/01/00/217390100.db2.gz VNPGYBQKWGQLAR-UHFFFAOYSA-N 0 0 348.334 2.201 40 5 EEBBRN CC(C)c1cc(CNC(=O)CN(C)c2ccccc2[N+](=O)[O-])on1 ZINC000096431061 218805571 /nfs/dbraw/zinc/80/55/71/218805571.db2.gz RMORGGVUPVFJCP-UHFFFAOYSA-N 0 0 332.360 2.459 40 5 EEBBRN CC(C)C1(C(C)C)NC(=O)N(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1=O ZINC000282435407 257985855 /nfs/dbraw/zinc/98/58/55/257985855.db2.gz NGFFEXPLVYEUBG-CQSZACIVSA-N 0 0 349.387 2.231 40 5 EEBBRN CN1CCN(c2c(Br)c(N)c(Cl)cc2[N+](=O)[O-])CC1 ZINC000045891270 277112172 /nfs/dbraw/zinc/11/21/72/277112172.db2.gz WHEFPRRNRHARHD-UHFFFAOYSA-N 0 0 349.616 2.345 40 5 EEBBRN C[N+]1([O-])CCN(C2=Nc3cc(Cl)ccc3Nc3ccccc32)CC1 ZINC000003872124 462625234 /nfs/dbraw/zinc/62/52/34/462625234.db2.gz WYRDWWAASBTJLM-UHFFFAOYSA-N 0 0 342.830 2.043 40 5 EEBBRN O=C(COC(=O)c1ccc2c(c1)OCO2)Nc1ccccc1[N+](=O)[O-] ZINC000006610479 462693712 /nfs/dbraw/zinc/69/37/12/462693712.db2.gz NLRHUUJXQXTXTE-UHFFFAOYSA-N 0 0 344.279 2.119 40 5 EEBBRN CCS(=O)(=O)C[C@H](C)N(C)C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000079042088 463182835 /nfs/dbraw/zinc/18/28/35/463182835.db2.gz HKCRWUFQOFSBCO-VIFPVBQESA-N 0 0 348.808 2.143 40 5 EEBBRN NS(=O)(=O)c1cccc(N2CCC[C@@H]2c2ccco2)c1[N+](=O)[O-] ZINC000097376200 463356755 /nfs/dbraw/zinc/35/67/55/463356755.db2.gz OPQOURSTRIEHQC-SNVBAGLBSA-N 0 0 337.357 2.177 40 5 EEBBRN C[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)CN1C1CC1 ZINC000225536166 464169825 /nfs/dbraw/zinc/16/98/25/464169825.db2.gz AEVADVHLNVVUPE-MNOVXSKESA-N 0 0 339.417 2.035 40 5 EEBBRN CCOc1cccc([N+](=O)[O-])c1C(=O)NCc1cccnc1N(C)C ZINC000225555695 464170779 /nfs/dbraw/zinc/17/07/79/464170779.db2.gz SIVWWKCQBHXJJR-UHFFFAOYSA-N 0 0 344.371 2.385 40 5 EEBBRN O=C(NCc1csc(=O)[nH]1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000089508817 534698145 /nfs/dbraw/zinc/69/81/45/534698145.db2.gz DOSZBPLUQDRIPQ-UHFFFAOYSA-N 0 0 347.274 2.293 40 5 EEBBRN Cc1c(OCC(=O)NC(=O)NC2CCCCC2)cccc1[N+](=O)[O-] ZINC000053837441 214201923 /nfs/dbraw/zinc/20/19/23/214201923.db2.gz CLPLDWGWNGGKNR-UHFFFAOYSA-N 0 0 335.360 2.441 40 5 EEBBRN COc1ccc(C(=O)N2CC(=O)Nc3ccccc32)cc1[N+](=O)[O-] ZINC000042236093 213486731 /nfs/dbraw/zinc/48/67/31/213486731.db2.gz XAHUDZILAPQUKM-UHFFFAOYSA-N 0 0 327.296 2.202 40 5 EEBBRN COc1ncccc1CNC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000040498487 213323154 /nfs/dbraw/zinc/32/31/54/213323154.db2.gz GAJSLIRJDFKFGC-UHFFFAOYSA-N 0 0 333.369 2.407 40 5 EEBBRN O=[N+]([O-])c1ccccc1S(=O)(=O)NCCOc1ccc(F)cc1 ZINC000022496099 212300701 /nfs/dbraw/zinc/30/07/01/212300701.db2.gz FLZQQIKXXDXZCF-UHFFFAOYSA-N 0 0 340.332 2.091 40 5 EEBBRN O=C(Nc1c(N2CCCC2)cccc1N1CCCC1)[C@@H]1CC1[N+](=O)[O-] ZINC000078877816 217136893 /nfs/dbraw/zinc/13/68/93/217136893.db2.gz UVJYYWODUVPXCO-CZUORRHYSA-N 0 0 344.415 2.491 40 5 EEBBRN Cc1nonc1OCC(C)(C)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000006177688 210597992 /nfs/dbraw/zinc/59/79/92/210597992.db2.gz JURHDBUAVODVHW-UHFFFAOYSA-N 0 0 337.292 2.464 40 5 EEBBRN COc1cc(N2CCC[C@H]2C(=O)NCc2ccco2)ccc1[N+](=O)[O-] ZINC000134899923 532954194 /nfs/dbraw/zinc/95/41/94/532954194.db2.gz VRIVVANEBTZONJ-HNNXBMFYSA-N 0 0 345.355 2.482 40 5 EEBBRN Cc1csc([C@H](NC(=O)CCn2cc([N+](=O)[O-])cn2)C2CC2)n1 ZINC000096425432 218794322 /nfs/dbraw/zinc/79/43/22/218794322.db2.gz GHCGMPDYCLKHLK-CYBMUJFWSA-N 0 0 335.389 2.214 40 5 EEBBRN COc1ccccc1C(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000003619430 462624493 /nfs/dbraw/zinc/62/44/93/462624493.db2.gz WFGHJUHFVSKEJY-UHFFFAOYSA-N 0 0 330.296 2.399 40 5 EEBBRN CCN(CC)c1c(C)c(OC)c([N+](=O)[O-])c(C(=O)OC)c1[N+](=O)[O-] ZINC000005172973 462647770 /nfs/dbraw/zinc/64/77/70/462647770.db2.gz HWPJSGUNTMYILK-UHFFFAOYSA-N 0 0 341.320 2.453 40 5 EEBBRN Cc1cccc(C(=O)N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)n1 ZINC000096411749 463245080 /nfs/dbraw/zinc/24/50/80/463245080.db2.gz XGJDCZBCBKCMPU-LBPRGKRZSA-N 0 0 327.344 2.020 40 5 EEBBRN C[C@H](c1cccnc1)N1CCN(c2cc(N)ccc2[N+](=O)[O-])CC1 ZINC000193433595 463712974 /nfs/dbraw/zinc/71/29/74/463712974.db2.gz PVFRUZGLDTVRGR-CYBMUJFWSA-N 0 0 327.388 2.455 40 5 EEBBRN C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])nc1)c1cccc(F)c1F ZINC000195441274 464055050 /nfs/dbraw/zinc/05/50/50/464055050.db2.gz UNIVEJJXIZYEPA-MRVPVSSYSA-N 0 0 343.311 2.308 40 5 EEBBRN CC(=O)c1cc(N2CCN(C(=O)c3ccco3)CC2)ccc1[N+](=O)[O-] ZINC000253398756 465001841 /nfs/dbraw/zinc/00/18/41/465001841.db2.gz XQTYABKTLLFDGG-UHFFFAOYSA-N 0 0 343.339 2.353 40 5 EEBBRN Cc1cccc(C(=O)N[C@@H](CO)Cc2ccc(F)cc2)c1[N+](=O)[O-] ZINC000390833074 467414073 /nfs/dbraw/zinc/41/40/73/467414073.db2.gz BREZTEAGIODNBW-CQSZACIVSA-N 0 0 332.331 2.376 40 5 EEBBRN COC(=O)c1ccc(Br)cc1Cn1cnc([N+](=O)[O-])c1 ZINC000225749564 536607334 /nfs/dbraw/zinc/60/73/34/536607334.db2.gz YLNJGMLBIPSGDO-UHFFFAOYSA-N 0 0 340.133 2.389 40 5 EEBBRN Cc1nnc(CN2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)n1C ZINC000174247372 231159891 /nfs/dbraw/zinc/15/98/91/231159891.db2.gz JYGLSAAOZSYPCW-UHFFFAOYSA-N 0 0 331.376 2.075 40 5 EEBBRN O=C(NCc1nc(-c2ccccn2)no1)c1ccc([N+](=O)[O-])cc1F ZINC000078914961 217147334 /nfs/dbraw/zinc/14/73/34/217147334.db2.gz BWBRHBJKXZNDIE-UHFFFAOYSA-N 0 0 343.274 2.109 40 5 EEBBRN Cc1ccc(CN(C)c2cccc(S(N)(=O)=O)c2[N+](=O)[O-])s1 ZINC000097376172 219019017 /nfs/dbraw/zinc/01/90/17/219019017.db2.gz QEUUNUCOGYQIPV-UHFFFAOYSA-N 0 0 341.414 2.249 40 5 EEBBRN Cc1ccccc1C(=O)Nc1cc2c(cc1[N+](=O)[O-])n(C)c(=O)n2C ZINC000408534761 257897711 /nfs/dbraw/zinc/89/77/11/257897711.db2.gz QYRNTLVLHQOVRE-UHFFFAOYSA-N 0 0 340.339 2.346 40 5 EEBBRN COc1cc(CNc2ccc([N+](=O)[O-])cc2)ccc1OCC(N)=O ZINC000352697751 162249611 /nfs/dbraw/zinc/24/96/11/162249611.db2.gz HCBCOJDHFHTUPH-UHFFFAOYSA-N 0 0 331.328 2.080 40 5 EEBBRN CCOC(=O)NN1C(=O)c2cccc3c([N+](=O)[O-])ccc(c32)C1=O ZINC000001736230 276284171 /nfs/dbraw/zinc/28/41/71/276284171.db2.gz FTCABUSOKJFOQJ-UHFFFAOYSA-N 0 0 329.268 2.005 40 5 EEBBRN Cc1cc(C(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)ccc1[N+](=O)[O-] ZINC000047081088 462741828 /nfs/dbraw/zinc/74/18/28/462741828.db2.gz HWRPDKDKBMXOPU-UHFFFAOYSA-N 0 0 340.339 2.346 40 5 EEBBRN COc1c2c(cc3oc4cccc(O)c4c(=O)c31)O[C@H]1OC=C[C@@]21O ZINC000014858281 462934058 /nfs/dbraw/zinc/93/40/58/462934058.db2.gz XHQIJMIDMXGFJD-QZTJIDSGSA-N 0 0 340.287 2.110 40 5 biogenic,in-vitro EEBBRN O=C(C[C@@H]1Nc2ccccc2OC1=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000017066941 462993538 /nfs/dbraw/zinc/99/35/38/462993538.db2.gz FIFMJPBYWQWQCZ-ZDUSSCGKSA-N 0 0 327.296 2.323 40 5 EEBBRN C[C@H]1CN=C(N2CCN(Cc3csc([N+](=O)[O-])c3)CC2)S1 ZINC000096449197 463271798 /nfs/dbraw/zinc/27/17/98/463271798.db2.gz GXEMOXOWAQOAJW-JTQLQIEISA-N 0 0 326.447 2.265 40 5 EEBBRN O=c1ccn(-c2nc(-c3ccccn3)nc3c2CCC3)cc1[N+](=O)[O-] ZINC000096468173 463278003 /nfs/dbraw/zinc/27/80/03/463278003.db2.gz FJJIRHBAZGDTDR-UHFFFAOYSA-N 0 0 335.323 2.086 40 5 EEBBRN Cc1cccnc1CNS(=O)(=O)c1cc(F)c(C)c([N+](=O)[O-])c1 ZINC000097097271 463322713 /nfs/dbraw/zinc/32/27/13/463322713.db2.gz HMWFSGQOKIMRRF-UHFFFAOYSA-N 0 0 339.348 2.224 40 5 EEBBRN CCOC(=O)C1=C(C)N(C)C(=S)N[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000007552094 528616027 /nfs/dbraw/zinc/61/60/27/528616027.db2.gz MGALDSVXGZJPEG-CYBMUJFWSA-N 0 0 335.385 2.293 40 5 EEBBRN O=C(NC[C@@H]1[C@@H]2Cc3ccccc3[C@H]12)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000193731613 240286257 /nfs/dbraw/zinc/28/62/57/240286257.db2.gz HVNYTBBEURBMOJ-GUTXKFCHSA-N 0 0 325.324 2.011 40 5 EEBBRN Cc1nc(C)c(C)c(N2CCN(c3ccc([N+](=O)[O-])cn3)CC2)n1 ZINC000095416513 218355281 /nfs/dbraw/zinc/35/52/81/218355281.db2.gz SBQCRQJQNOJZTH-UHFFFAOYSA-N 0 0 328.376 2.032 40 5 EEBBRN Cc1nn(C)c(C)c1C[C@H](C)NC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000096439530 463266263 /nfs/dbraw/zinc/26/62/63/463266263.db2.gz OYBSJWISLQFGTK-NSHDSACASA-N 0 0 345.403 2.376 40 5 EEBBRN C[C@@]1(CO)CCC[C@@H]1NC(=O)c1cnc(-c2cccc([N+](=O)[O-])c2)[nH]1 ZINC000097096085 463322970 /nfs/dbraw/zinc/32/29/70/463322970.db2.gz YMFUARIWTNLLNN-YOEHRIQHSA-N 0 0 344.371 2.266 40 5 EEBBRN Cc1cc([N+](=O)[O-])cnc1N1CCC[C@H](c2nc(N(C)C)no2)C1 ZINC000253433031 465015277 /nfs/dbraw/zinc/01/52/77/465015277.db2.gz QYVRQJQQTFFDRW-NSHDSACASA-N 0 0 332.364 2.131 40 5 EEBBRN NC(=O)[C@@H]1CCCN(c2c(Br)c(F)ccc2[N+](=O)[O-])C1 ZINC000585142279 468991976 /nfs/dbraw/zinc/99/19/76/468991976.db2.gz RZEMKPYWLIPYSY-SSDOTTSWSA-N 0 0 346.156 2.198 40 5 EEBBRN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCO[C@@H]2CCCC[C@H]21 ZINC000230113750 242233857 /nfs/dbraw/zinc/23/38/57/242233857.db2.gz DXTKJRYFTWWXFT-HZPDHXFCSA-N 0 0 333.388 2.485 40 5 EEBBRN Cc1cc(NC(=O)N2CC[C@@](O)(C(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000097095981 218949994 /nfs/dbraw/zinc/94/99/94/218949994.db2.gz QNQXXGYVDWYVMO-LBPRGKRZSA-N 0 0 333.266 2.434 40 5 EEBBRN COC(=O)N1CCC[C@H](C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000078875698 463158195 /nfs/dbraw/zinc/15/81/95/463158195.db2.gz RNKUEUDXWCIUPP-JTQLQIEISA-N 0 0 337.332 2.020 40 5 EEBBRN Cc1cc(S(=O)(=O)N[C@@H](C)c2nccs2)ccc1[N+](=O)[O-] ZINC000096406686 463240547 /nfs/dbraw/zinc/24/05/47/463240547.db2.gz FOGFJVLMJCIUSG-VIFPVBQESA-N 0 0 327.387 2.399 40 5 EEBBRN C[C@](O)(CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)c1ccco1 ZINC000096459320 463276514 /nfs/dbraw/zinc/27/65/14/463276514.db2.gz QCSZFFBVWZDXCX-HNNXBMFYSA-N 0 0 338.747 2.408 40 5 EEBBRN COc1cc(N2CCN(C(=O)c3ccoc3)CC2)c([N+](=O)[O-])cc1F ZINC000096466418 463278109 /nfs/dbraw/zinc/27/81/09/463278109.db2.gz OEMWGOWJIXKFMH-UHFFFAOYSA-N 0 0 349.318 2.298 40 5 EEBBRN CO[C@H](C)c1nsc(N2CCN(c3ccccc3[N+](=O)[O-])CC2)n1 ZINC000240744046 464447843 /nfs/dbraw/zinc/44/78/43/464447843.db2.gz HUEKDYWGQSFUQT-LLVKDONJSA-N 0 0 349.416 2.480 40 5 EEBBRN COc1cccc(CNS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000023993992 202110987 /nfs/dbraw/zinc/11/09/87/202110987.db2.gz DZCOAASWIZARME-UHFFFAOYSA-N 0 0 336.369 2.390 40 5 EEBBRN CN(Cc1ccco1)C(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000096500728 289766982 /nfs/dbraw/zinc/76/69/82/289766982.db2.gz FWYUIZSFWOFHTJ-OAHLLOKOSA-N 0 0 329.312 2.339 40 5 EEBBRN CCOc1ccc(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000013675943 462900121 /nfs/dbraw/zinc/90/01/21/462900121.db2.gz GELLKTVAKLWRRB-UHFFFAOYSA-N 0 0 336.369 2.472 40 5 EEBBRN O=[N+]([O-])c1cccc(NCCSC(=S)N2CCOCC2)c1 ZINC000021085510 463033975 /nfs/dbraw/zinc/03/39/75/463033975.db2.gz GWUZCRZOBWZXGR-UHFFFAOYSA-N 0 0 327.431 2.357 40 5 EEBBRN Cc1nsc(N2CCCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000096431871 463260947 /nfs/dbraw/zinc/26/09/47/463260947.db2.gz CBXJVRAADYXUGK-UHFFFAOYSA-N 0 0 347.400 2.107 40 5 EEBBRN COC(=O)c1ccc(-n2c(C)nc3cc([N+](=O)[O-])ccc3c2=O)cc1 ZINC000033875704 463425436 /nfs/dbraw/zinc/42/54/36/463425436.db2.gz FKNYHQOUUOAANU-UHFFFAOYSA-N 0 0 339.307 2.389 40 5 EEBBRN COc1ccc(C[C@H]2CCCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)cc1 ZINC000195547450 464074076 /nfs/dbraw/zinc/07/40/76/464074076.db2.gz NXGAIUQHFSQMEJ-CYBMUJFWSA-N 0 0 344.371 2.421 40 5 EEBBRN CNC(=O)c1cc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)ccc1C ZINC000408597629 466681832 /nfs/dbraw/zinc/68/18/32/466681832.db2.gz VQCNLOORRGMNAD-UHFFFAOYSA-N 0 0 349.368 2.064 40 5 EEBBRN C[C@H]1CCN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CCS1 ZINC000192164922 201054011 /nfs/dbraw/zinc/05/40/11/201054011.db2.gz QIYIAIFTUANANO-NSHDSACASA-N 0 0 330.431 2.252 40 5 EEBBRN Cn1nc([C@@H]2CCCOC2)cc1NC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000279735030 201322023 /nfs/dbraw/zinc/32/20/23/201322023.db2.gz JQWMQCGINQOLKW-SNVBAGLBSA-N 0 0 345.359 2.057 40 5 EEBBRN COc1ccc(C(=O)n2cc(C(N)=O)c3ccccc32)cc1[N+](=O)[O-] ZINC000216959248 241227699 /nfs/dbraw/zinc/22/76/99/241227699.db2.gz VMGVVWDYDWSWRY-UHFFFAOYSA-N 0 0 339.307 2.346 40 5 EEBBRN CC(C)(C)NC(=O)[C@H]1CSCN1C(=O)c1ccccc1[N+](=O)[O-] ZINC000068111928 278368647 /nfs/dbraw/zinc/36/86/47/278368647.db2.gz LAGHUHQWKKVNHD-GFCCVEGCSA-N 0 0 337.401 2.025 40 5 EEBBRN O=C(n1ccnc1)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000010006601 462810772 /nfs/dbraw/zinc/81/07/72/462810772.db2.gz ZZRXJLDAIUXRLJ-UHFFFAOYSA-N 0 0 335.751 2.235 40 5 EEBBRN O=C(NC(=S)NNc1ccc([N+](=O)[O-])cc1)c1cccc(F)c1 ZINC000014257561 462923027 /nfs/dbraw/zinc/92/30/27/462923027.db2.gz ZGGYXGYMCAQUGR-UHFFFAOYSA-N 0 0 334.332 2.365 40 5 EEBBRN COc1ccc(C(=O)NC(=S)NNc2ccccc2)cc1[N+](=O)[O-] ZINC000014257585 462923184 /nfs/dbraw/zinc/92/31/84/462923184.db2.gz BNINQLXNBNOPTJ-UHFFFAOYSA-N 0 0 346.368 2.235 40 5 EEBBRN O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CCC2(CC1)OCCO2 ZINC000096620728 463294681 /nfs/dbraw/zinc/29/46/81/463294681.db2.gz CVFBVSJYADAUDI-UHFFFAOYSA-N 0 0 326.736 2.227 40 5 EEBBRN C[C@@H]1CN(C)c2ccccc2CN1C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000081613377 463471823 /nfs/dbraw/zinc/47/18/23/463471823.db2.gz NGZOMJPLAGQANE-CYBMUJFWSA-N 0 0 343.387 2.049 40 5 EEBBRN COCC1(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CCC1 ZINC000283924779 464044499 /nfs/dbraw/zinc/04/44/99/464044499.db2.gz LHRKCXSNXZIYGL-UHFFFAOYSA-N 0 0 334.781 2.096 40 5 EEBBRN CN(C)c1cc2[nH]c(=O)[nH]c2cc1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000408533612 466680350 /nfs/dbraw/zinc/68/03/50/466680350.db2.gz TWUISOHJCLAVTO-UHFFFAOYSA-N 0 0 341.327 2.495 40 5 EEBBRN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(S(C)(=O)=O)cc1 ZINC000010967560 201805515 /nfs/dbraw/zinc/80/55/15/201805515.db2.gz OPTGGWRAFAQIAB-LLVKDONJSA-N 0 0 348.380 2.489 40 5 EEBBRN Cc1noc(C)c1CN(C)C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000069150418 202271963 /nfs/dbraw/zinc/27/19/63/202271963.db2.gz CEANVIQZHHIPGA-UHFFFAOYSA-N 0 0 348.359 2.420 40 5 EEBBRN C[C@@H]1CCC[C@@H](n2ccc3nc4ccn(N)c(=O)c4cc3c2=O)[C@@H]1C ZINC000040398618 296443033 /nfs/dbraw/zinc/44/30/33/296443033.db2.gz SGDONNJHAFBSFT-PSTGCABASA-N 0 0 338.411 2.422 40 5 EEBBRN Cc1ccc(S(=O)(=O)NN[C@@H](c2ccccc2)[C@H](C)[N+](=O)[O-])cc1 ZINC000001715503 462586366 /nfs/dbraw/zinc/58/63/66/462586366.db2.gz MAYREBQJXUNLBK-XJKSGUPXSA-N 0 0 349.412 2.184 40 5 EEBBRN O=C(Cc1ccccc1[N+](=O)[O-])NC[C@@H]1COc2ccccc2O1 ZINC000025984747 463146657 /nfs/dbraw/zinc/14/66/57/463146657.db2.gz ZCMADUOEURRTPI-CYBMUJFWSA-N 0 0 328.324 2.094 40 5 EEBBRN Cc1cc(C)n(-c2ccc(-c3noc([C@H]4CC4[N+](=O)[O-])n3)cn2)n1 ZINC000078774653 463148532 /nfs/dbraw/zinc/14/85/32/463148532.db2.gz RUOBFMPUOJNROO-RYUDHWBXSA-N 0 0 326.316 2.067 40 5 EEBBRN Cn1cc(CNC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])cn1 ZINC000079713368 463243145 /nfs/dbraw/zinc/24/31/45/463243145.db2.gz IQCSJHUHXSVCBM-UHFFFAOYSA-N 0 0 328.250 2.277 40 5 EEBBRN CC(=O)N[C@@H]1CCCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)C1 ZINC000096453581 463274410 /nfs/dbraw/zinc/27/44/10/463274410.db2.gz IECITXGZNXIAHV-SNVBAGLBSA-N 0 0 329.303 2.301 40 5 EEBBRN O=[N+]([O-])c1cccc(-n2c(O)c3c(c2O)Sc2ccccc2N3)c1 ZINC000102938083 463393590 /nfs/dbraw/zinc/39/35/90/463393590.db2.gz YLNRKQNNHZDAES-ZIAGYGMSSA-N 0 0 341.348 2.423 40 5 EEBBRN O=C(CCNC(=O)Nc1cccc([N+](=O)[O-])c1)Nc1ccncc1 ZINC000058167565 463546883 /nfs/dbraw/zinc/54/68/83/463546883.db2.gz OUFJFNRFDOKPNK-UHFFFAOYSA-N 0 0 329.316 2.140 40 5 EEBBRN C[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])nc1)Cc1cccs1 ZINC000195304535 464036674 /nfs/dbraw/zinc/03/66/74/464036674.db2.gz QCPBJZGJSFUXMA-SNVBAGLBSA-N 0 0 341.414 2.208 40 5 EEBBRN O=[N+]([O-])c1ccc(NNC(=S)NCCCc2ccccc2)nc1 ZINC000408585919 466681087 /nfs/dbraw/zinc/68/10/87/466681087.db2.gz KWRGPQZVZXHXBC-UHFFFAOYSA-N 0 0 331.401 2.414 40 5 EEBBRN CNS(=O)(=O)c1cccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)c1 ZINC000015790595 201963636 /nfs/dbraw/zinc/96/36/36/201963636.db2.gz UPNZKSJXVZETED-UHFFFAOYSA-N 0 0 349.368 2.064 40 5 EEBBRN Cc1n[nH]c(C(=O)N(C)Cc2nc(C(F)(F)F)cs2)c1[N+](=O)[O-] ZINC000074466931 202373871 /nfs/dbraw/zinc/37/38/71/202373871.db2.gz CKRJFTVBXWJCHJ-UHFFFAOYSA-N 0 0 349.294 2.374 40 5 EEBBRN Cc1cccc(OCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000193812652 240318045 /nfs/dbraw/zinc/31/80/45/240318045.db2.gz LNGQQAGESCEYOR-UHFFFAOYSA-N 0 0 336.369 2.261 40 5 EEBBRN Cc1nn(C)c(C(=O)NCC2C3CC4CC(C3)CC2C4)c1[N+](=O)[O-] ZINC000095449971 218393646 /nfs/dbraw/zinc/39/36/46/218393646.db2.gz NZBIAVBMXSODQA-UHFFFAOYSA-N 0 0 332.404 2.439 40 5 EEBBRN CCc1ccc([C@@H]2CCCCCN2C(=O)Cn2cnc([N+](=O)[O-])n2)o1 ZINC000096416723 218777498 /nfs/dbraw/zinc/77/74/98/218777498.db2.gz CXQIDKAOJGGWOY-ZDUSSCGKSA-N 0 0 347.375 2.486 40 5 EEBBRN O=C(CCn1cc([N+](=O)[O-])cn1)Nc1cc(C(F)(F)F)ccn1 ZINC000180599890 207806250 /nfs/dbraw/zinc/80/62/50/207806250.db2.gz KOYXYOXTLLSHTP-UHFFFAOYSA-N 0 0 329.238 2.234 40 5 EEBBRN CCc1ccc([C@H]2C[C@@H](C)CCN2C(=O)Cn2cnc([N+](=O)[O-])n2)o1 ZINC000096433265 218809202 /nfs/dbraw/zinc/80/92/02/218809202.db2.gz HPLPAIQGVWSJEF-WCQYABFASA-N 0 0 347.375 2.342 40 5 EEBBRN CC(=O)[C@H]1[C@H](c2ccc([N+](=O)[O-])cc2)c2c(C)n[nH]c2C[C@]1(C)O ZINC000004172059 277100261 /nfs/dbraw/zinc/10/02/61/277100261.db2.gz KLUFAIXBSGETEP-NCOADZHNSA-N 0 0 329.356 2.485 40 5 EEBBRN C[C@]12C=C[C@H](O1)[C@@H]1C(=O)N(c3cc([N+](=O)[O-])ccc3Cl)C(=O)[C@@H]12 ZINC000000432442 280175649 /nfs/dbraw/zinc/17/56/49/280175649.db2.gz PPMVVZMNIQGGOV-UUIJZJDISA-N 0 0 334.715 2.081 40 5 EEBBRN CN(C(=O)c1ccc([N+](=O)[O-])cc1)[C@](C)(C(N)=O)c1ccccc1 ZINC000003850918 462625600 /nfs/dbraw/zinc/62/56/00/462625600.db2.gz LHJZAGPOIOUKLK-KRWDZBQOSA-N 0 0 327.340 2.068 40 5 EEBBRN CC(C)(C)N(CC(N)=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000097099764 463323926 /nfs/dbraw/zinc/32/39/26/463323926.db2.gz REMFKQMESLTEJS-UHFFFAOYSA-N 0 0 344.209 2.443 40 5 EEBBRN Cc1cc([N+](=O)[O-])ccc1N1CCN(C(=O)c2cccnc2)CC1 ZINC000080578881 463332062 /nfs/dbraw/zinc/33/20/62/463332062.db2.gz RKWDFJBFUVLBFE-UHFFFAOYSA-N 0 0 326.356 2.261 40 5 EEBBRN O=[N+]([O-])c1ccc(N2CCC[C@H]2CN2CCOCC2)c2ccncc21 ZINC000160413199 463336008 /nfs/dbraw/zinc/33/60/08/463336008.db2.gz IJDGYSXALGIZHX-AWEZNQCLSA-N 0 0 342.399 2.444 40 5 EEBBRN Cc1ccc(C(=O)NC[C@@H](O)COc2ccc([N+](=O)[O-])cc2)cc1C ZINC000058171332 463548083 /nfs/dbraw/zinc/54/80/83/463548083.db2.gz CHSIEPRHAXCERS-MRXNPFEDSA-N 0 0 344.367 2.381 40 5 EEBBRN Cc1ccc(C)c(S(=O)(=O)N(C)c2nccs2)c1[N+](=O)[O-] ZINC000191767268 464826812 /nfs/dbraw/zinc/82/68/12/464826812.db2.gz AAUASWQHPACXTH-UHFFFAOYSA-N 0 0 327.387 2.493 40 5 EEBBRN CCc1nn(C)c(N2CC[C@@H](OCc3ccncc3)C2)c1[N+](=O)[O-] ZINC000192905136 465015143 /nfs/dbraw/zinc/01/51/43/465015143.db2.gz HBRZYUFMXYYPRP-CYBMUJFWSA-N 0 0 331.376 2.081 40 5 EEBBRN CN(C)c1cc2[nH]c(=O)[nH]c2cc1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000408530613 466680453 /nfs/dbraw/zinc/68/04/53/466680453.db2.gz JIKGQVITUZMYDP-UHFFFAOYSA-N 0 0 341.327 2.495 40 5 EEBBRN O=C(C[C@@H]1CNN(c2ccccc2)C1=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001740818238 1406109777 /nfs/dbraw/zinc/10/97/77/1406109777.db2.gz MYGCFBIBHDJTIH-GFCCVEGCSA-N 0 0 340.339 2.091 40 5 EEBBRN CCOc1cc(N2CCC[C@H]2CN2CCOCC2)ccc1[N+](=O)[O-] ZINC000160404015 201412077 /nfs/dbraw/zinc/41/20/77/201412077.db2.gz WNOOLMVKCHJTOR-HNNXBMFYSA-N 0 0 335.404 2.295 40 5 EEBBRN CCOC(=O)N[C@H]1CCCN(C(=O)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000040539257 203373240 /nfs/dbraw/zinc/37/32/40/203373240.db2.gz RPGMLODUJOIOGN-ZDUSSCGKSA-N 0 0 335.360 2.254 40 5 EEBBRN COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H]2CCc3nc(C)cn3C2)c1 ZINC000096501055 463291050 /nfs/dbraw/zinc/29/10/50/463291050.db2.gz AEGWSPHIRPVYKF-GFCCVEGCSA-N 0 0 330.344 2.313 40 5 EEBBRN O=[N+]([O-])c1ccc(S(=O)(=O)NCCOCc2ccccc2)cc1 ZINC000080799461 463357548 /nfs/dbraw/zinc/35/75/48/463357548.db2.gz DLYGFCIPIOFSMS-UHFFFAOYSA-N 0 0 336.369 2.090 40 5 EEBBRN C[C@]1(CO)CCC[C@@H]1NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000195547477 464074791 /nfs/dbraw/zinc/07/47/91/464074791.db2.gz CZTDGOQXYFWOHO-DOTOQJQBSA-N 0 0 344.371 2.061 40 5 EEBBRN CN(c1ccc2c(c1)OCO2)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000225027476 464152714 /nfs/dbraw/zinc/15/27/14/464152714.db2.gz VBROGPUDWQUJDT-UHFFFAOYSA-N 0 0 336.325 2.149 40 5 EEBBRN CC(=O)c1cc(N2CCC[C@H](c3nncn3C)C2)ccc1[N+](=O)[O-] ZINC000253415467 465004105 /nfs/dbraw/zinc/00/41/05/465004105.db2.gz XIZTYQFLBLSTGX-LBPRGKRZSA-N 0 0 329.360 2.310 40 5 EEBBRN O=C(CCc1cccc([N+](=O)[O-])c1)N[C@H]1CCCC2(C1)OCCO2 ZINC000253426440 465011763 /nfs/dbraw/zinc/01/17/63/465011763.db2.gz PYXKZYJSYAHLLW-AWEZNQCLSA-N 0 0 334.372 2.329 40 5 EEBBRN CO[C@@H](c1ccc(F)cc1)[C@@H](C)NC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000390834248 467414321 /nfs/dbraw/zinc/41/43/21/467414321.db2.gz VCXTVJDUNHYNDO-MEBBXXQBSA-N 0 0 348.334 2.449 40 5 EEBBRN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCS[C@H](C)CC1 ZINC000277004059 201301248 /nfs/dbraw/zinc/30/12/48/201301248.db2.gz WVYJKIULXATVKX-SNVBAGLBSA-N 0 0 346.430 2.120 40 5 EEBBRN Cc1nc(CCNS(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)cs1 ZINC000097094947 323320351 /nfs/dbraw/zinc/32/03/51/323320351.db2.gz BRYHRFHWUZSLPP-UHFFFAOYSA-N 0 0 347.443 2.251 40 5 EEBBRN Nc1nnc(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)s1 ZINC000003467037 462619446 /nfs/dbraw/zinc/61/94/46/462619446.db2.gz ZMPAMDQHCQANBM-UHFFFAOYSA-N 0 0 345.793 2.413 40 5 EEBBRN COc1ccc2nc(NC(=O)c3nn(C)cc3[N+](=O)[O-])sc2c1 ZINC000004186400 462628878 /nfs/dbraw/zinc/62/88/78/462628878.db2.gz KBENHVFFEXRWLN-UHFFFAOYSA-N 0 0 333.329 2.199 40 5 EEBBRN CCOC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1 ZINC000005952710 462672045 /nfs/dbraw/zinc/67/20/45/462672045.db2.gz SLSLEDUEGUKECA-UHFFFAOYSA-N 0 0 342.307 2.327 40 5 EEBBRN [NH3+][C@H](Cc1ccccc1)c1nc(-c2cc([N+](=O)[O-])ccc2[O-])n[nH]1 ZINC000095534927 463108575 /nfs/dbraw/zinc/10/85/75/463108575.db2.gz OECVWHJTMOHERB-CYBMUJFWSA-N 0 0 325.328 2.328 40 5 EEBBRN Cc1c(F)cc(S(=O)(=O)NCc2cccc(N)c2)cc1[N+](=O)[O-] ZINC000097097280 463322772 /nfs/dbraw/zinc/32/27/72/463322772.db2.gz MVHGBDNWPMROLM-UHFFFAOYSA-N 0 0 339.348 2.103 40 5 EEBBRN O=[N+]([O-])c1ccc(NC(=S)NCc2ccc3c(c2)OCCO3)nc1 ZINC000224047975 464148047 /nfs/dbraw/zinc/14/80/47/464148047.db2.gz UPWJBOJPRZXLHR-UHFFFAOYSA-N 0 0 346.368 2.248 40 5 EEBBRN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCOCc3ccccc32)cc1 ZINC000239722503 464443713 /nfs/dbraw/zinc/44/37/13/464443713.db2.gz CCZLADSUGWBTFT-UHFFFAOYSA-N 0 0 334.353 2.320 40 5 EEBBRN Cn1cnc([N+](=O)[O-])c1N1CCC(c2nc(C(F)(F)F)c[nH]2)CC1 ZINC000078343370 217042017 /nfs/dbraw/zinc/04/20/17/217042017.db2.gz UZRDWSSPPUBXIH-UHFFFAOYSA-N 0 0 344.297 2.454 40 5 EEBBRN O=C(c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)N1CCCSCC1 ZINC000078926981 217150482 /nfs/dbraw/zinc/15/04/82/217150482.db2.gz ZPZIPIFRADPEJF-UHFFFAOYSA-N 0 0 333.369 2.015 40 5 EEBBRN COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2/NC(=O)N(C)C2=O)o1 ZINC000409189778 257875443 /nfs/dbraw/zinc/87/54/43/257875443.db2.gz SQAOXCNZIFDEEV-XYOKQWHBSA-N 0 0 343.295 2.386 40 5 EEBBRN Cc1ccc([C@@H]2CSCCN2C(=O)c2[nH]nc(C)c2[N+](=O)[O-])o1 ZINC000081346861 292225279 /nfs/dbraw/zinc/22/52/79/292225279.db2.gz XAJDSQCAWSBIRC-JTQLQIEISA-N 0 0 336.373 2.458 40 5 EEBBRN COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]2C1=O)C31CC1 ZINC000000178687 286384115 /nfs/dbraw/zinc/38/41/15/286384115.db2.gz HTAHJPIEXZJIMF-HGSJOUDDSA-N 0 0 340.335 2.305 40 5 EEBBRN CC(=O)[C@H]1[C@H](c2cccc([N+](=O)[O-])c2)c2c(C)n[nH]c2C[C@]1(C)O ZINC000004813406 278238151 /nfs/dbraw/zinc/23/81/51/278238151.db2.gz WQMILBNFFUVBET-IKGGRYGDSA-N 0 0 329.356 2.271 40 5 EEBBRN Cc1ccc(S(=O)(=O)NN[C@H](c2ccccc2)[C@H](C)[N+](=O)[O-])cc1 ZINC000001715504 462586045 /nfs/dbraw/zinc/58/60/45/462586045.db2.gz MAYREBQJXUNLBK-BBRMVZONSA-N 0 0 349.412 2.184 40 5 EEBBRN Cc1cc(N2CCCN(C(=O)c3ccncc3)CC2)ncc1[N+](=O)[O-] ZINC000074740686 462629158 /nfs/dbraw/zinc/62/91/58/462629158.db2.gz JKFDZOKAHJSEIN-UHFFFAOYSA-N 0 0 341.371 2.046 40 5 EEBBRN COC(=O)c1ccc(C(=O)OC)c2nc3cc([N+](=O)[O-])ccc3nc12 ZINC000005664427 462665884 /nfs/dbraw/zinc/66/58/84/462665884.db2.gz NNOSEFFJKDKOKK-UHFFFAOYSA-N 0 0 341.279 2.264 40 5 EEBBRN O=C(NC1CCCCC1)[C@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1 ZINC000007927964 462758513 /nfs/dbraw/zinc/75/85/13/462758513.db2.gz PPCZHQAIKLZERN-LBPRGKRZSA-N 0 0 331.372 2.397 40 5 EEBBRN O=C(CCOc1ccccc1[N+](=O)[O-])NC[C@@H]1Cc2ccccc2O1 ZINC000047625474 462806978 /nfs/dbraw/zinc/80/69/78/462806978.db2.gz RTGQNVGAZFVLJA-AWEZNQCLSA-N 0 0 342.351 2.484 40 5 EEBBRN COc1cc2nc(Sc3c([N+](=O)[O-])ncn3C)[nH]c2cc1OC ZINC000013216972 462888155 /nfs/dbraw/zinc/88/81/55/462888155.db2.gz OGFOFSFYCAMQBV-UHFFFAOYSA-N 0 0 335.345 2.373 40 5 EEBBRN CC(=O)c1ccc(N2CCN(c3nc(C)ns3)CC2)c([N+](=O)[O-])c1 ZINC000096424102 463254324 /nfs/dbraw/zinc/25/43/24/463254324.db2.gz XDHOLJUBWFILOK-UHFFFAOYSA-N 0 0 347.400 2.284 40 5 EEBBRN O=C(COc1ccc(Br)cc1[N+](=O)[O-])N1CCCC1 ZINC000096424967 463254841 /nfs/dbraw/zinc/25/48/41/463254841.db2.gz ZEHHLASDJAUMAF-UHFFFAOYSA-N 0 0 329.150 2.359 40 5 EEBBRN CCc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)Cn2cnc([N+](=O)[O-])n2)o1 ZINC000096433264 463261176 /nfs/dbraw/zinc/26/11/76/463261176.db2.gz HPLPAIQGVWSJEF-AAEUAGOBSA-N 0 0 347.375 2.342 40 5 EEBBRN Cn1cccc1[C@@H]1CCCCN1C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000096445049 463269516 /nfs/dbraw/zinc/26/95/16/463269516.db2.gz YEJUWEDGVMJXKN-HNNXBMFYSA-N 0 0 331.376 2.274 40 5 EEBBRN CCNC(=O)[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000096503337 463292674 /nfs/dbraw/zinc/29/26/74/463292674.db2.gz VYBJYEJXHQEKPY-NSHDSACASA-N 0 0 339.779 2.237 40 5 EEBBRN Cc1ccc(C(=O)NC[C@H]2COc3ccccc3O2)cc1[N+](=O)[O-] ZINC000031241074 463329978 /nfs/dbraw/zinc/32/99/78/463329978.db2.gz UUCPPSCORIFJNW-ZDUSSCGKSA-N 0 0 328.324 2.473 40 5 EEBBRN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCO[C@@H]2CCCC[C@@H]21 ZINC000072581475 463522987 /nfs/dbraw/zinc/52/29/87/463522987.db2.gz DXTKJRYFTWWXFT-JKSUJKDBSA-N 0 0 333.388 2.485 40 5 EEBBRN CNc1snc(C)c1C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000188544525 464307925 /nfs/dbraw/zinc/30/79/25/464307925.db2.gz HYGNUKKYRYCLBE-UHFFFAOYSA-N 0 0 348.384 2.305 40 5 EEBBRN CCOc1cc(/C=C/c2onc(C)c2[N+](=O)[O-])ccc1OCC(N)=O ZINC000408545349 466680103 /nfs/dbraw/zinc/68/01/03/466680103.db2.gz YCUNHWSZYDPQGR-FNORWQNLSA-N 0 0 347.327 2.324 40 5 EEBBRN Cc1c(NC(=O)NCC[S@@](=O)C(F)(F)F)cccc1[N+](=O)[O-] ZINC000585140929 468989987 /nfs/dbraw/zinc/98/99/87/468989987.db2.gz NCMRDOXVWACSKJ-JOCHJYFZSA-N 0 0 339.295 2.293 40 5 EEBBRN CCCCCn1ccc2nc3ccn(N(C)C)c(=O)c3cc2c1=O ZINC000040398647 213297737 /nfs/dbraw/zinc/29/77/37/213297737.db2.gz SGLKASDJDKQSDR-UHFFFAOYSA-N 0 0 326.400 2.099 40 5 EEBBRN Cc1cccc2[nH]cc(CCNC(=O)c3c[nH]c(=O)c([N+](=O)[O-])c3)c21 ZINC000193547191 240207890 /nfs/dbraw/zinc/20/78/90/240207890.db2.gz XOLZXHWZRZPJRI-UHFFFAOYSA-N 0 0 340.339 2.458 40 5 EEBBRN CN(Cc1nccs1)c1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000195576746 241022729 /nfs/dbraw/zinc/02/27/29/241022729.db2.gz BOYBBUSWRKJLAM-UHFFFAOYSA-N 0 0 327.387 2.091 40 5 EEBBRN COC(=O)N1CCC[C@@H](C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000078875694 217136728 /nfs/dbraw/zinc/13/67/28/217136728.db2.gz RNKUEUDXWCIUPP-SNVBAGLBSA-N 0 0 337.332 2.020 40 5 EEBBRN O=C(N[C@H]1CCN(c2ccccc2F)C1=O)c1ccccc1[N+](=O)[O-] ZINC000078997720 217170193 /nfs/dbraw/zinc/17/01/93/217170193.db2.gz OGMWFMHELIMPRN-ZDUSSCGKSA-N 0 0 343.314 2.269 40 5 EEBBRN O=C(NCc1ccccc1)[C@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1 ZINC000009235112 211057135 /nfs/dbraw/zinc/05/71/35/211057135.db2.gz RVELVKWLRCXQTB-AWEZNQCLSA-N 0 0 339.351 2.264 40 5 EEBBRN CCO[C@@H]1C=CC[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3C)C(=O)[C@H]21 ZINC000252444401 276335983 /nfs/dbraw/zinc/33/59/83/276335983.db2.gz SOILWSSFGONHDO-BPLDGKMQSA-N 0 0 330.340 2.374 40 5 EEBBRN COc1cc([C@@H]2NC(=O)NC(C)=C2[N+](=O)[O-])ccc1OC(F)F ZINC000000363087 462557380 /nfs/dbraw/zinc/55/73/80/462557380.db2.gz CIQUTGCPIKULDW-JTQLQIEISA-N 0 0 329.259 2.159 40 5 EEBBRN Cc1ccc(S(=O)(=O)NN[C@H](c2ccccc2)[C@@H](C)[N+](=O)[O-])cc1 ZINC000001715502 462586983 /nfs/dbraw/zinc/58/69/83/462586983.db2.gz MAYREBQJXUNLBK-CJNGLKHVSA-N 0 0 349.412 2.184 40 5 EEBBRN COc1cccc([C@H](N)c2nc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)c1 ZINC000095533526 463106800 /nfs/dbraw/zinc/10/68/00/463106800.db2.gz FGDIBULFHSMXBF-AWEZNQCLSA-N 0 0 325.328 2.437 40 5 EEBBRN Cc1cncc(CNS(=O)(=O)c2cc(F)c(C)c([N+](=O)[O-])c2)c1 ZINC000097097130 463322900 /nfs/dbraw/zinc/32/29/00/463322900.db2.gz HASSSRZTDMSODN-UHFFFAOYSA-N 0 0 339.348 2.224 40 5 EEBBRN CCN(CC)c1ccc(Nc2ncc([N+](=O)[O-])cc2C(N)=O)cn1 ZINC000057923095 463530609 /nfs/dbraw/zinc/53/06/09/463530609.db2.gz GGZQEIOXRNTJOD-UHFFFAOYSA-N 0 0 330.348 2.074 40 5 EEBBRN CN(C)n1ccc2nc3ccn(C4CCCCC4)c(=O)c3cc2c1=O ZINC000040398657 282335130 /nfs/dbraw/zinc/33/51/30/282335130.db2.gz MOPPBNNAKFZHST-UHFFFAOYSA-N 0 0 338.411 2.414 40 5 EEBBRN COc1cc([N+](=O)[O-])ccc1Sc1nnc(C(F)(F)F)n1N ZINC000078406505 217049357 /nfs/dbraw/zinc/04/93/57/217049357.db2.gz VWPWCTKKBCMKCR-UHFFFAOYSA-N 0 0 335.267 2.079 40 5 EEBBRN CS(=O)(=O)C1(C(=O)Nc2ccc(F)cc2[N+](=O)[O-])CCCC1 ZINC000078551790 217073247 /nfs/dbraw/zinc/07/32/47/217073247.db2.gz QLXLKNLGWLEZOO-UHFFFAOYSA-N 0 0 330.337 2.030 40 5 EEBBRN CCc1ccc(C(=O)N2CCN(CC(F)(F)F)CC2)cc1[N+](=O)[O-] ZINC000096445228 218826853 /nfs/dbraw/zinc/82/68/53/218826853.db2.gz RNTJVWPYHLOAKS-UHFFFAOYSA-N 0 0 345.321 2.477 40 5 EEBBRN COC(=O)c1cccc2c1c(C(=O)OC)cc(NC(C)=O)c2[N+](=O)[O-] ZINC000005568205 210490224 /nfs/dbraw/zinc/49/02/24/210490224.db2.gz LXUPLESASYHDIB-UHFFFAOYSA-N 0 0 346.295 2.280 40 5 EEBBRN C=CC(=O)Oc1cccc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1 ZINC000000358943 462555830 /nfs/dbraw/zinc/55/58/30/462555830.db2.gz ZPOLIOUZVGWWRR-UHFFFAOYSA-N 0 0 338.275 2.487 40 5 EEBBRN C[C@@H](Nc1ccn(CCS(C)(=O)=O)n1)c1ccccc1[N+](=O)[O-] ZINC000086164614 462565342 /nfs/dbraw/zinc/56/53/42/462565342.db2.gz QYJXKVCNTGBYGP-LLVKDONJSA-N 0 0 338.389 2.009 40 5 EEBBRN CC(=O)c1ccc(N2CCN(C(=O)c3ccco3)CC2)c([N+](=O)[O-])c1 ZINC000008148105 462769233 /nfs/dbraw/zinc/76/92/33/462769233.db2.gz RSGDMZQJOCWAPS-UHFFFAOYSA-N 0 0 343.339 2.353 40 5 EEBBRN COc1ccc([C@H](N)c2nc(-c3ccccc3[N+](=O)[O-])n[nH]2)cc1 ZINC000095533664 463106986 /nfs/dbraw/zinc/10/69/86/463106986.db2.gz ZLKJAZMOLFAKIX-AWEZNQCLSA-N 0 0 325.328 2.437 40 5 EEBBRN CCS(=O)(=O)C(Cl)(Cl)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000096518128 463292742 /nfs/dbraw/zinc/29/27/42/463292742.db2.gz CGISHZGXRWRLQU-UHFFFAOYSA-N 0 0 326.157 2.344 40 5 EEBBRN CN(CCC(F)(F)F)S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000195562763 464077732 /nfs/dbraw/zinc/07/77/32/464077732.db2.gz ZADMGWKSFRYADW-UHFFFAOYSA-N 0 0 326.296 2.309 40 5 EEBBRN CCN(CC)C(=O)C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000330748973 465789274 /nfs/dbraw/zinc/78/92/74/465789274.db2.gz UFNTYAAIDJJGQA-UHFFFAOYSA-N 0 0 333.388 2.315 40 5 EEBBRN O=[N+]([O-])c1ccc(S(=O)(=O)NCCOc2ccc(F)cc2)cc1 ZINC000022496102 212300540 /nfs/dbraw/zinc/30/05/40/212300540.db2.gz RCEORCOTLGOHKC-UHFFFAOYSA-N 0 0 340.332 2.091 40 5 EEBBRN CN(Cc1ccco1)C(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000096500727 218876834 /nfs/dbraw/zinc/87/68/34/218876834.db2.gz FWYUIZSFWOFHTJ-HNNXBMFYSA-N 0 0 329.312 2.339 40 5 EEBBRN COC[C@H]1CCCN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000157453286 293209487 /nfs/dbraw/zinc/20/94/87/293209487.db2.gz NYHUCYWKKRURPC-ZDUSSCGKSA-N 0 0 344.371 2.279 40 5 EEBBRN COc1cccc(NC(=O)COC(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000003502538 462620975 /nfs/dbraw/zinc/62/09/75/462620975.db2.gz AFVTVFNPOQPHIO-UHFFFAOYSA-N 0 0 330.296 2.399 40 5 EEBBRN CCCn1nnnc1COc1ccc(Br)cc1[N+](=O)[O-] ZINC000096424966 463255437 /nfs/dbraw/zinc/25/54/37/463255437.db2.gz SWRJQABAPDMYLH-UHFFFAOYSA-N 0 0 342.153 2.333 40 5 EEBBRN O=C(Nc1cccnc1-n1cncn1)c1cc([N+](=O)[O-])ccc1Cl ZINC000059894209 463646852 /nfs/dbraw/zinc/64/68/52/463646852.db2.gz ZIDIEWPIZCIBOP-UHFFFAOYSA-N 0 0 344.718 2.476 40 5 EEBBRN COC(=O)c1cc2cc(Cn3ccc(=O)c([N+](=O)[O-])c3)ccc2o1 ZINC000178237036 463866116 /nfs/dbraw/zinc/86/61/16/463866116.db2.gz FOYYTLUBWCJQNM-UHFFFAOYSA-N 0 0 328.280 2.338 40 5 EEBBRN CC[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])nc1)c1cccs1 ZINC000195125893 463997100 /nfs/dbraw/zinc/99/71/00/463997100.db2.gz YQLCZCROBAULBP-SNVBAGLBSA-N 0 0 327.387 2.481 40 5 EEBBRN Cc1cccc(C(=O)N[C@H](CO)Cc2ccc(F)cc2)c1[N+](=O)[O-] ZINC000390833073 467414277 /nfs/dbraw/zinc/41/42/77/467414277.db2.gz BREZTEAGIODNBW-AWEZNQCLSA-N 0 0 332.331 2.376 40 5 EEBBRN Nc1nc(N)c([N+](=O)[O-])c(Nc2ccc(Br)cc2)n1 ZINC000004707755 210255189 /nfs/dbraw/zinc/25/51/89/210255189.db2.gz QKSCPVDWOOJFJD-UHFFFAOYSA-N 0 0 325.126 2.055 40 5 EEBBRN O=c1c(Br)cn(CCO[C@@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000193423879 240161045 /nfs/dbraw/zinc/16/10/45/240161045.db2.gz GHUJXEOYUIFHGL-LLVKDONJSA-N 0 0 347.165 2.062 40 5 EEBBRN CCCn1nc(-c2ccc([N+](=O)[O-])cc2)cc(C(=O)OCC)c1=O ZINC000225965559 242081267 /nfs/dbraw/zinc/08/12/67/242081267.db2.gz IHTDHDZMPKXNRA-UHFFFAOYSA-N 0 0 331.328 2.405 40 5 EEBBRN Cc1ccoc1C(=O)NCCCNc1nc2sccn2c1[N+](=O)[O-] ZINC000077995203 217011117 /nfs/dbraw/zinc/01/11/17/217011117.db2.gz GIOGPTLSGRTCKK-UHFFFAOYSA-N 0 0 349.372 2.437 40 5 EEBBRN COC(=O)[C@@H](CO)Nc1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000078603999 217085559 /nfs/dbraw/zinc/08/55/59/217085559.db2.gz XTLFZPCKYGWZIY-MRVPVSSYSA-N 0 0 342.657 2.213 40 5 EEBBRN Nc1nc(N(Cc2cccs2)C[C@H]2CCCO2)ncc1[N+](=O)[O-] ZINC000096476891 218853899 /nfs/dbraw/zinc/85/38/99/218853899.db2.gz UVXLHHGYJHEINC-SNVBAGLBSA-N 0 0 335.389 2.214 40 5 EEBBRN Cc1cccc(-n2ccc3nc4ccn(N(C)C)c(=O)c4cc3c2=O)c1 ZINC000040398687 278909133 /nfs/dbraw/zinc/90/91/33/278909133.db2.gz SZJSIJVWFPJQOW-UHFFFAOYSA-N 0 0 346.390 2.207 40 5 EEBBRN CCc1onc(C)c1C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000097097420 323320571 /nfs/dbraw/zinc/32/05/71/323320571.db2.gz WNGLOKVHCHMONT-LLVKDONJSA-N 0 0 345.359 2.175 40 5 EEBBRN COc1ccccc1CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000014345594 462925378 /nfs/dbraw/zinc/92/53/78/462925378.db2.gz ZTYFKZCCOTXPSY-UHFFFAOYSA-N 0 0 336.369 2.424 40 5 EEBBRN COc1cccc([C@H](N)c2nc(-c3ccccc3[N+](=O)[O-])n[nH]2)c1 ZINC000095533522 463106596 /nfs/dbraw/zinc/10/65/96/463106596.db2.gz LBKWAVDGHRSPGD-AWEZNQCLSA-N 0 0 325.328 2.437 40 5 EEBBRN CS(=O)(=O)c1sc2n[nH]c(N)c2c1-c1ccc([N+](=O)[O-])cc1 ZINC000096532154 463293624 /nfs/dbraw/zinc/29/36/24/463293624.db2.gz JHVNAPIVIVGRIP-UHFFFAOYSA-N 0 0 338.370 2.185 40 5 EEBBRN O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(C(=O)N2CCCCC2)CC1 ZINC000198574687 464092136 /nfs/dbraw/zinc/09/21/36/464092136.db2.gz PZCBURWQBQGWPT-UHFFFAOYSA-N 0 0 345.399 2.460 40 5 EEBBRN CN1C(=O)N/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)C1=O ZINC000409196181 466686779 /nfs/dbraw/zinc/68/67/79/466686779.db2.gz XLDGKRNXYKMMGH-MDWZMJQESA-N 0 0 340.295 2.305 40 5 EEBBRN CCSc1n[n+]2c(-c3cccnc3)nc3ccccc3c2c(=O)[n-]1 ZINC000588227692 469131226 /nfs/dbraw/zinc/13/12/26/469131226.db2.gz JZBZEGBAARTLRY-UHFFFAOYSA-O 0 0 336.400 2.231 40 5 EEBBRN COC(=O)[C@H]1C=C[C@H](C)n2c(=O)c3cc4ccccc4cc3c(=O)n21 ZINC000017216412 284311791 /nfs/dbraw/zinc/31/17/91/284311791.db2.gz HJBFDSYSLGUEND-MEDUHNTESA-N 0 0 336.347 2.161 40 5 EEBBRN Cc1nn(C)c(N2CCCN(C(=O)c3cccs3)CC2)c1[N+](=O)[O-] ZINC000079002680 217171770 /nfs/dbraw/zinc/17/17/70/217171770.db2.gz YXIFWJUDADLBGK-UHFFFAOYSA-N 0 0 349.416 2.051 40 5 EEBBRN O=C(CNC(=O)Cc1ccc(F)c(F)c1)Nc1ccccc1[N+](=O)[O-] ZINC000095410148 218347432 /nfs/dbraw/zinc/34/74/32/218347432.db2.gz HWJQRYWPUJVFMM-UHFFFAOYSA-N 0 0 349.293 2.170 40 5 EEBBRN CN(Cc1ncnn1C)c1cc(Br)ccc1[N+](=O)[O-] ZINC000095421401 218363327 /nfs/dbraw/zinc/36/33/27/218363327.db2.gz KPFGLAPRCKQEAR-UHFFFAOYSA-N 0 0 326.154 2.122 40 5 EEBBRN COc1cc([N+](=O)[O-])ccc1C(=O)NCCc1nc2ccccc2[nH]1 ZINC000328293704 258002978 /nfs/dbraw/zinc/00/29/78/258002978.db2.gz LHODSPWJVKIOCM-UHFFFAOYSA-N 0 0 340.339 2.452 40 5 EEBBRN CS(=O)(=O)NC[C@H]1CCCN(c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000253415409 278113611 /nfs/dbraw/zinc/11/36/11/278113611.db2.gz IIJYFOVCVSXHJO-SNVBAGLBSA-N 0 0 347.824 2.014 40 5 EEBBRN O=c1[nH]c(N2CCCC2)nc2nccc(-c3cccc([N+](=O)[O-])c3)c12 ZINC000020799905 280386295 /nfs/dbraw/zinc/38/62/95/280386295.db2.gz REMSAQKJHQAPQD-UHFFFAOYSA-N 0 0 337.339 2.494 40 5 EEBBRN O=C(COC(=O)c1ccc([N+](=O)[O-])cc1)NCCc1ccccc1 ZINC000003620017 462625486 /nfs/dbraw/zinc/62/54/86/462625486.db2.gz KTYXVASBAMXQBT-UHFFFAOYSA-N 0 0 328.324 2.111 40 5 EEBBRN Cc1cc(=O)oc2cc(O[P@@](=O)([O-])OCC[N+](C)(C)C)ccc12 ZINC000006069643 462676540 /nfs/dbraw/zinc/67/65/40/462676540.db2.gz XFDMHBWTKCGCSD-UHFFFAOYSA-O 0 0 342.308 2.303 40 5 in-vitro EEBBRN N[C@H](c1nc(COc2ccc([N+](=O)[O-])cc2)n[nH]1)c1ccc(F)cc1 ZINC000095533296 463106702 /nfs/dbraw/zinc/10/67/02/463106702.db2.gz DYLNSOBHUTWDNH-HNNXBMFYSA-N 0 0 343.318 2.479 40 5 EEBBRN O=C(Cc1ccc([N+](=O)[O-])cc1)NC[C@@]1(O)CCCc2ccccc21 ZINC000096427010 463257429 /nfs/dbraw/zinc/25/74/29/463257429.db2.gz CZWJFBGKFXEZFH-IBGZPJMESA-N 0 0 340.379 2.478 40 5 EEBBRN CN(Cc1ccc([N+](=O)[O-])cc1)[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000096444972 463270067 /nfs/dbraw/zinc/27/00/67/463270067.db2.gz SWJAAOSXVLFOHH-GJZGRUSLSA-N 0 0 326.418 2.382 40 5 EEBBRN O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)N1CCOCC1 ZINC000096484546 463282246 /nfs/dbraw/zinc/28/22/46/463282246.db2.gz GQRPILIKWPRCKA-UHFFFAOYSA-N 0 0 330.138 2.221 40 5 EEBBRN CCN1C(=O)C(=Cc2cccn2-c2cccc([N+](=O)[O-])c2)NC1=S ZINC000210125679 464101411 /nfs/dbraw/zinc/10/14/11/464101411.db2.gz ZCBGWNXYKFWLBZ-UVTDQMKNSA-N 0 0 342.380 2.463 40 5 EEBBRN COC(=O)c1ccccc1Cn1cnc2cc([N+](=O)[O-])ccc2c1=O ZINC000253417249 465006228 /nfs/dbraw/zinc/00/62/28/465006228.db2.gz SLFZQEPEQRZUDX-UHFFFAOYSA-N 0 0 339.307 2.140 40 5 EEBBRN COc1ccc(NC(=O)CSc2nccc(C)n2)c([N+](=O)[O-])c1 ZINC000408527107 466680150 /nfs/dbraw/zinc/68/01/50/466680150.db2.gz KVIPQXYBFAPVRG-UHFFFAOYSA-N 0 0 334.357 2.433 40 5 EEBBRN CCc1nc2c(s1)[C@H](N(C)C(=O)c1nn(C)cc1[N+](=O)[O-])CCC2 ZINC000253425827 522477616 /nfs/dbraw/zinc/47/76/16/522477616.db2.gz RDKMYDYXUFOYOZ-SNVBAGLBSA-N 0 0 349.416 2.497 40 5 EEBBRN Cc1nnc(SCc2ccc([N+](=O)[O-])cc2Br)n1N ZINC000073639562 216404874 /nfs/dbraw/zinc/40/48/74/216404874.db2.gz PUMBDBNWROWJMN-UHFFFAOYSA-N 0 0 344.194 2.263 40 5 EEBBRN O=C(Nc1c(N2CCCC2)cccc1N1CCCC1)[C@H]1CC1[N+](=O)[O-] ZINC000078877812 217136413 /nfs/dbraw/zinc/13/64/13/217136413.db2.gz UVJYYWODUVPXCO-BBRMVZONSA-N 0 0 344.415 2.491 40 5 EEBBRN CNC(=O)CN(C(=O)Cc1cccc([N+](=O)[O-])c1)c1cccc(F)c1 ZINC000095401632 218336110 /nfs/dbraw/zinc/33/61/10/218336110.db2.gz MUUUBUXIJBAJEW-UHFFFAOYSA-N 0 0 345.330 2.056 40 5 EEBBRN CN1CCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000096502361 218878898 /nfs/dbraw/zinc/87/88/98/218878898.db2.gz WJWRUWOVNKEVAX-UHFFFAOYSA-N 0 0 329.809 2.114 40 5 EEBBRN Cc1cc(C(=O)NCC(=O)N(C)[C@@H](C)c2ccco2)ccc1[N+](=O)[O-] ZINC000097238735 219004359 /nfs/dbraw/zinc/00/43/59/219004359.db2.gz IANPMMRQZHVLQU-LBPRGKRZSA-N 0 0 345.355 2.446 40 5 EEBBRN O=c1[nH]c(N2CCCC2)nc2nccc(-c3ccc([N+](=O)[O-])cc3)c12 ZINC000020799909 280386261 /nfs/dbraw/zinc/38/62/61/280386261.db2.gz VDEMNEHHKNUGPV-UHFFFAOYSA-N 0 0 337.339 2.494 40 5 EEBBRN CC(=O)n1cnc2c1SC(c1ccc([N+](=O)[O-])cc1)=NN2C(C)=O ZINC000016777252 462990338 /nfs/dbraw/zinc/99/03/38/462990338.db2.gz BGBYBHYOAOWDLK-UHFFFAOYSA-N 0 0 345.340 2.272 40 5 EEBBRN CC(C)Oc1cc(CNc2ccc3ncc([N+](=O)[O-])n3n2)ccn1 ZINC000195575584 464080607 /nfs/dbraw/zinc/08/06/07/464080607.db2.gz MKRVNBJBJZKIME-UHFFFAOYSA-N 0 0 328.332 2.432 40 5 EEBBRN C[C@@H](Cn1ncc2ccccc2c1=O)Nc1ncc([N+](=O)[O-])s1 ZINC000192516167 464939847 /nfs/dbraw/zinc/93/98/47/464939847.db2.gz IWFHETGCHNEUOV-VIFPVBQESA-N 0 0 331.357 2.262 40 5 EEBBRN CCSc1n[n+]2c(-c3ccncc3)nc3ccccc3c2c(=O)[n-]1 ZINC000588228271 469131760 /nfs/dbraw/zinc/13/17/60/469131760.db2.gz HKOMIYUVBXBTSN-UHFFFAOYSA-O 0 0 336.400 2.231 40 5 EEBBRN COc1ccc(OCCNC(=O)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000010291638 211161476 /nfs/dbraw/zinc/16/14/76/211161476.db2.gz IGELEPYFUCSYLA-UHFFFAOYSA-N 0 0 330.340 2.341 40 5 EEBBRN COc1cccc(C(=O)NC(=S)NNc2ccc([N+](=O)[O-])cc2)c1 ZINC000009140609 211044102 /nfs/dbraw/zinc/04/41/02/211044102.db2.gz WYUJHFFFWNVILZ-UHFFFAOYSA-N 0 0 346.368 2.235 40 5 EEBBRN Nc1ccc(-c2ccc(NC3=C([N+](=O)[O-])CS(=O)(=O)C3)cc2)cc1 ZINC000005331401 210441812 /nfs/dbraw/zinc/44/18/12/210441812.db2.gz VMBVFFHBNCZDFN-UHFFFAOYSA-N 0 0 345.380 2.264 40 5 EEBBRN Cc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1ccc(C)c(C(N)=O)c1 ZINC000223281776 464139579 /nfs/dbraw/zinc/13/95/79/464139579.db2.gz JYXQUAFTHOYYAS-UHFFFAOYSA-N 0 0 349.368 2.111 40 5 EEBBRN CC(C)(C)c1ccc(CCNC(=O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000040089366 213261376 /nfs/dbraw/zinc/26/13/76/213261376.db2.gz LYPZSCFTBMDBDZ-UHFFFAOYSA-N 0 0 330.388 2.448 40 5 EEBBRN O=C(CCn1cc([N+](=O)[O-])cn1)N1CCc2c(F)ccc(F)c2C1 ZINC000084228006 217587801 /nfs/dbraw/zinc/58/78/01/217587801.db2.gz ZQKCHNQMJIDAQH-UHFFFAOYSA-N 0 0 336.298 2.045 40 5 EEBBRN CSc1nnc(C)n1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000006320432 462681986 /nfs/dbraw/zinc/68/19/86/462681986.db2.gz UKGDXXZFQWTYQY-UHFFFAOYSA-N 0 0 327.753 2.254 40 5 EEBBRN CCCCNC(=O)[C@H]1CSCN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000195386056 464047916 /nfs/dbraw/zinc/04/79/16/464047916.db2.gz VAUPHUNAKMCVSU-SNVBAGLBSA-N 0 0 343.430 2.088 40 5 EEBBRN CCCCNC(=O)[C@@H]1CSCN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000195386051 464048287 /nfs/dbraw/zinc/04/82/87/464048287.db2.gz VAUPHUNAKMCVSU-JTQLQIEISA-N 0 0 343.430 2.088 40 5 EEBBRN Cn1nc([C@H]2CCCOC2)cc1NC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000279735028 464136964 /nfs/dbraw/zinc/13/69/64/464136964.db2.gz JQWMQCGINQOLKW-JTQLQIEISA-N 0 0 345.359 2.057 40 5 EEBBRN C[C@]12C=C[C@H](O1)[C@@H]1C(=O)N(c3ccc(Cl)cc3[N+](=O)[O-])C(=O)[C@@H]12 ZINC000226627399 464184105 /nfs/dbraw/zinc/18/41/05/464184105.db2.gz YSONTOHIUUJOAN-UUIJZJDISA-N 0 0 334.715 2.081 40 5 EEBBRN CC1(C)CC(=O)C2=C(c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)NN[C@@H]2C1 ZINC000228921037 464193376 /nfs/dbraw/zinc/19/33/76/464193376.db2.gz JWSBTKMAGUGBIF-DGCLKSJQSA-N 0 0 332.316 2.184 40 5 EEBBRN NC(=O)[C@H]1CCCN(c2c(Br)c(F)ccc2[N+](=O)[O-])C1 ZINC000585142280 468991606 /nfs/dbraw/zinc/99/16/06/468991606.db2.gz RZEMKPYWLIPYSY-ZETCQYMHSA-N 0 0 346.156 2.198 40 5 EEBBRN O=C(Cc1ccc([N+](=O)[O-])cc1)NCCc1ccc2c(c1)OCO2 ZINC000001704832 209783428 /nfs/dbraw/zinc/78/34/28/209783428.db2.gz OMQCPJQFYQJCID-UHFFFAOYSA-N 0 0 328.324 2.225 40 5 EEBBRN Cc1cc(N[C@@H]2CCCN(c3cccnc3)C2=O)ncc1[N+](=O)[O-] ZINC000253426893 243969023 /nfs/dbraw/zinc/96/90/23/243969023.db2.gz SKEASRNKULXXSC-CYBMUJFWSA-N 0 0 327.344 2.301 40 5 EEBBRN O=C(NC1CC1)[C@H]1CCCN1c1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000134894628 223532184 /nfs/dbraw/zinc/53/21/84/223532184.db2.gz ZJCXWWXGPOWLHX-OAHLLOKOSA-N 0 0 326.356 2.390 40 5 EEBBRN CCOC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(n2cncn2)CC1 ZINC000078988010 217166822 /nfs/dbraw/zinc/16/68/22/217166822.db2.gz ZVMVUVOXRZCXSZ-UHFFFAOYSA-N 0 0 345.359 2.205 40 5 EEBBRN Cc1cccnc1[C@@H](NC(=O)CCn1cc([N+](=O)[O-])cn1)C(C)C ZINC000079358049 217215408 /nfs/dbraw/zinc/21/54/08/217215408.db2.gz UTEVIWIFZJMOPR-HNNXBMFYSA-N 0 0 331.376 2.398 40 5 EEBBRN O=C(NC1CCCCC1)[C@@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1 ZINC000007927963 462758704 /nfs/dbraw/zinc/75/87/04/462758704.db2.gz PPCZHQAIKLZERN-GFCCVEGCSA-N 0 0 331.372 2.397 40 5 EEBBRN CN1CCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)c2ccc(F)cc21 ZINC000096432405 463260920 /nfs/dbraw/zinc/26/09/20/463260920.db2.gz POESWCOTQNMNCG-UHFFFAOYSA-N 0 0 330.319 2.413 40 5 EEBBRN Cc1cnc(OCC(=O)N(C)Cc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000096451065 463272682 /nfs/dbraw/zinc/27/26/82/463272682.db2.gz HGQDFJSZDCNPDN-UHFFFAOYSA-N 0 0 333.319 2.475 40 5 EEBBRN CC(C)(C)n1ncc2c1ncn(Cc1ccc([N+](=O)[O-])cc1F)c2=O ZINC000096476067 463280454 /nfs/dbraw/zinc/28/04/54/463280454.db2.gz LGBCLMXTJQDMHA-UHFFFAOYSA-N 0 0 345.334 2.444 40 5 EEBBRN O=[N+]([O-])c1ncn(C[C@@H](O)Cn2c3ccccc3c3ccccc32)n1 ZINC000096484763 463283945 /nfs/dbraw/zinc/28/39/45/463283945.db2.gz WEVSTTPOBPSKFB-GFCCVEGCSA-N 0 0 337.339 2.355 40 5 EEBBRN C[C@@H]1[C@@H](C)[S@@](=O)CCN1c1ncc([N+](=O)[O-])cc1Br ZINC000195534428 464073472 /nfs/dbraw/zinc/07/34/72/464073472.db2.gz YPXPHIZKTYCYIU-UOSOUYSTSA-N 0 0 348.222 2.098 40 5 EEBBRN O=[N+]([O-])c1cnc2c(cnn2S(=O)(=O)c2ccccc2)c1Cl ZINC000613840674 1180640832 /nfs/dbraw/zinc/64/08/32/1180640832.db2.gz JRTLJQDNROSAJX-UHFFFAOYSA-N 0 0 338.732 2.230 40 5 EEBBRN Cc1nc(C2CCN(C(=O)c3cc(C)cc([N+](=O)[O-])c3N)CC2)no1 ZINC000078549734 217072493 /nfs/dbraw/zinc/07/24/93/217072493.db2.gz GBOAJWAIDIWTNM-UHFFFAOYSA-N 0 0 345.359 2.197 40 5 EEBBRN O=[N+]([O-])c1c2nsnc2ccc1Sc1ncnc2[nH]cnc21 ZINC000013381906 211552982 /nfs/dbraw/zinc/55/29/82/211552982.db2.gz ITFAFUTUTBSFHF-UHFFFAOYSA-N 0 0 331.342 2.417 40 5 EEBBRN COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H](C1=O)[C@H]1C=C[C@@H]2CC1 ZINC000004156378 462628737 /nfs/dbraw/zinc/62/87/37/462628737.db2.gz QFLZTPLXHOAYJQ-LMHVJCSRSA-N 0 0 328.324 2.305 40 5 EEBBRN COc1cccc([C@@H](N)c2nc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)c1 ZINC000095533527 463106318 /nfs/dbraw/zinc/10/63/18/463106318.db2.gz FGDIBULFHSMXBF-CQSZACIVSA-N 0 0 325.328 2.437 40 5 EEBBRN CCc1nsc(N2CCN(c3ncc(C)cc3[N+](=O)[O-])CC2)n1 ZINC000078671067 463139542 /nfs/dbraw/zinc/13/95/42/463139542.db2.gz GRSXYBCJKLYCGC-UHFFFAOYSA-N 0 0 334.405 2.039 40 5 EEBBRN C[C@H]1CCCCN1CCNc1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000096487417 463284780 /nfs/dbraw/zinc/28/47/80/463284780.db2.gz GIHAORXPQTXSTD-LBPRGKRZSA-N 0 0 341.433 2.285 40 5 EEBBRN O=[N+]([O-])c1ccc(S(=O)(=O)CCn2cc(-n3cccc3)cn2)cc1 ZINC000096501881 463291710 /nfs/dbraw/zinc/29/17/10/463291710.db2.gz CSBURYXMXIYAKZ-UHFFFAOYSA-N 0 0 346.368 2.056 40 5 EEBBRN Cc1cccc(N2CCCN(CC(=O)N3CCCC3)CC2)c1[N+](=O)[O-] ZINC000195572313 464079321 /nfs/dbraw/zinc/07/93/21/464079321.db2.gz MWZJWGOVBMWUSF-UHFFFAOYSA-N 0 0 346.431 2.038 40 5 EEBBRN CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc([N+](=O)[O-])o2)C1=O ZINC000409017011 466684154 /nfs/dbraw/zinc/68/41/54/466684154.db2.gz UVHSDZPBTZKHCV-QCCBYXMRSA-N 0 0 340.313 2.176 40 5 EEBBRN Cn1ncc2c1CCCN(C(=O)Nc1ccc(F)c([N+](=O)[O-])c1)C2 ZINC000585140248 468988397 /nfs/dbraw/zinc/98/83/97/468988397.db2.gz AUDDWLOLKNZXGE-UHFFFAOYSA-N 0 0 333.323 2.448 40 5 EEBBRN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1c2ccccc2C[C@H]1CO ZINC000585140398 468989311 /nfs/dbraw/zinc/98/93/11/468989311.db2.gz DBDZPICWRJTHAG-ZDUSSCGKSA-N 0 0 348.380 2.016 40 5 EEBBRN CCN1CCCC[C@@H]1CNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000195576725 535493757 /nfs/dbraw/zinc/49/37/57/535493757.db2.gz AXGHZGPRXKPCAR-CYBMUJFWSA-N 0 0 341.433 2.285 40 5 EEBBRN Cc1cc(C)n(-c2ccc(-c3noc([C@H]4CC4[N+](=O)[O-])n3)cn2)n1 ZINC000078774658 217118914 /nfs/dbraw/zinc/11/89/14/217118914.db2.gz RUOBFMPUOJNROO-NWDGAFQWSA-N 0 0 326.316 2.067 40 5 EEBBRN Nc1nc(N2CCC(Oc3ccc(F)cc3)CC2)ncc1[N+](=O)[O-] ZINC000096406541 463240065 /nfs/dbraw/zinc/24/00/65/463240065.db2.gz AASUMQQMMVPZIB-UHFFFAOYSA-N 0 0 333.323 2.154 40 5 EEBBRN CCCc1n[nH]c(C(=O)NCc2cn3cccc(C)c3n2)c1[N+](=O)[O-] ZINC000096413350 463245734 /nfs/dbraw/zinc/24/57/34/463245734.db2.gz RYQDHTWUGFOKHU-UHFFFAOYSA-N 0 0 342.359 2.157 40 5 EEBBRN Cc1cccc2c(CCNC(=O)CCn3cc([N+](=O)[O-])cn3)c[nH]c21 ZINC000096423819 463254143 /nfs/dbraw/zinc/25/41/43/463254143.db2.gz PCAPJMUHBWBAIV-UHFFFAOYSA-N 0 0 341.371 2.330 40 5 EEBBRN Cc1csc([C@@H](NC(=O)CCn2cc([N+](=O)[O-])cn2)C2CC2)n1 ZINC000096425433 463255134 /nfs/dbraw/zinc/25/51/34/463255134.db2.gz GHCGMPDYCLKHLK-ZDUSSCGKSA-N 0 0 335.389 2.214 40 5 EEBBRN C[C@H](c1ccccc1)N(CC(N)=O)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000096466494 463277971 /nfs/dbraw/zinc/27/79/71/463277971.db2.gz ZGKHHGMVWMLBSX-GFCCVEGCSA-N 0 0 327.340 2.284 40 5 EEBBRN CCOC(=O)CN(Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C1CC1 ZINC000058167095 463546856 /nfs/dbraw/zinc/54/68/56/463546856.db2.gz QPAOXBOMBFYEOF-UHFFFAOYSA-N 0 0 346.343 2.172 40 5 EEBBRN O=c1c(Br)cc([N+](=O)[O-])cn1CCN1CCCCC1 ZINC000239367086 464443091 /nfs/dbraw/zinc/44/30/91/464443091.db2.gz AHJCIJUSBBJBBK-UHFFFAOYSA-N 0 0 330.182 2.005 40 5 EEBBRN C[C@@H]1CCN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CCS1 ZINC000192164915 464878085 /nfs/dbraw/zinc/87/80/85/464878085.db2.gz QIYIAIFTUANANO-LLVKDONJSA-N 0 0 330.431 2.252 40 5 EEBBRN O=C(NCCc1cccc([N+](=O)[O-])c1)N1CCC[C@@H]1[C@@H]1CCCO1 ZINC000253416441 465004419 /nfs/dbraw/zinc/00/44/19/465004419.db2.gz DNSXEHGVELUFIA-CVEARBPZSA-N 0 0 333.388 2.490 40 5 EEBBRN CO[C@H](c1ccc(F)cc1)[C@H](C)NC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000390834247 467414327 /nfs/dbraw/zinc/41/43/27/467414327.db2.gz VCXTVJDUNHYNDO-BONVTDFDSA-N 0 0 348.334 2.449 40 5 EEBBRN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCO[C@H]2CCCC[C@H]21 ZINC000230113755 242233827 /nfs/dbraw/zinc/23/38/27/242233827.db2.gz DXTKJRYFTWWXFT-CVEARBPZSA-N 0 0 333.388 2.485 40 5 EEBBRN O=[N+]([O-])c1cccc(C2OCC(Br)([N+](=O)[O-])CO2)c1 ZINC000004954185 210339443 /nfs/dbraw/zinc/33/94/43/210339443.db2.gz YIVDPFPIKOKYDW-UHFFFAOYSA-N 0 0 333.094 2.008 40 5 EEBBRN COC(=O)c1sccc1CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000330031655 258003141 /nfs/dbraw/zinc/00/31/41/258003141.db2.gz BZXSQWMUIUPWOB-UHFFFAOYSA-N 0 0 346.320 2.239 40 5 EEBBRN CSc1cnc(N2CCN(c3ccccc3[N+](=O)[O-])CC2)nc1 ZINC000253415449 286733692 /nfs/dbraw/zinc/73/36/92/286733692.db2.gz UYTXZEVVXCNZIJ-UHFFFAOYSA-N 0 0 331.401 2.433 40 5 EEBBRN CN1CCN(c2c3sc(N)nc3c(Cl)cc2[N+](=O)[O-])CC1 ZINC000045891376 273899292 /nfs/dbraw/zinc/89/92/92/273899292.db2.gz XKJGERIGVGLIFV-UHFFFAOYSA-N 0 0 327.797 2.192 40 5 EEBBRN Cn1c(=O)nc2n(-c3cccc([N+](=O)[O-])c3)c3ccccc3cc-2c1=O ZINC000000179732 294144705 /nfs/dbraw/zinc/14/47/05/294144705.db2.gz ZPBRYCHFKMEFEC-UHFFFAOYSA-N 0 0 348.318 2.097 40 5 EEBBRN [NH2+]=C1N=C2[N-]C(=O)c3ccccc3N2[C@H](c2cccc([N+](=O)[O-])c2)N1 ZINC000022241624 295210014 /nfs/dbraw/zinc/21/00/14/295210014.db2.gz LHZWRAZLUILUJU-CYBMUJFWSA-N 0 0 336.311 2.103 40 5 EEBBRN CN(CC(=O)N1CCCC1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000042315088 463555204 /nfs/dbraw/zinc/55/52/04/463555204.db2.gz RTYGJVNCVHNNJK-UHFFFAOYSA-N 0 0 342.193 2.416 40 5 EEBBRN O=[N+]([O-])c1cccc(CS(=O)(=O)NCCc2ccc(F)cc2)c1 ZINC000134050762 462999005 /nfs/dbraw/zinc/99/90/05/462999005.db2.gz HPXKJBXEIACAGR-UHFFFAOYSA-N 0 0 338.360 2.396 40 5 EEBBRN COC(=O)c1cc(Nc2ccc([N+](=O)[O-])cc2)c(=O)n2c1CCC2 ZINC000026897263 463175674 /nfs/dbraw/zinc/17/56/74/463175674.db2.gz MOCCIPSEZUMLSZ-UHFFFAOYSA-N 0 0 329.312 2.233 40 5 EEBBRN O=C(CCn1cc([N+](=O)[O-])cn1)N1CC[C@@H](Cc2ccccc2)C1 ZINC000096423010 463254085 /nfs/dbraw/zinc/25/40/85/463254085.db2.gz RCBJMJJIZASGCY-HNNXBMFYSA-N 0 0 328.372 2.273 40 5 EEBBRN NC(=O)[C@@H]1CCCN(c2c(F)cc([N+](=O)[O-])cc2Br)C1 ZINC000096427289 463257370 /nfs/dbraw/zinc/25/73/70/463257370.db2.gz DLWJQQIZNQBPHQ-SSDOTTSWSA-N 0 0 346.156 2.198 40 5 EEBBRN CCN(CC(=O)NC(C)(C)C)C(=O)c1cc(F)cc(C)c1[N+](=O)[O-] ZINC000096471568 463279171 /nfs/dbraw/zinc/27/91/71/463279171.db2.gz FBNIWQFNSLTNQV-UHFFFAOYSA-N 0 0 339.367 2.419 40 5 EEBBRN C[C@@]1(CO)CCC[C@H]1NC(=O)c1cnc(-c2cccc([N+](=O)[O-])c2)[nH]1 ZINC000097096089 463322512 /nfs/dbraw/zinc/32/25/12/463322512.db2.gz YMFUARIWTNLLNN-PBHICJAKSA-N 0 0 344.371 2.266 40 5 EEBBRN COc1cccc(CNS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000023993959 212403016 /nfs/dbraw/zinc/40/30/16/212403016.db2.gz KLXAIULNHMYMIM-UHFFFAOYSA-N 0 0 336.369 2.390 40 5 EEBBRN COc1ccc(-c2c(N)c(=O)n(-c3ccc([N+](=O)[O-])cc3)n2C)cc1 ZINC000222553537 241525981 /nfs/dbraw/zinc/52/59/81/241525981.db2.gz FBZOMQNZTROYNJ-UHFFFAOYSA-N 0 0 340.339 2.342 40 5 EEBBRN COc1ccnc(Cn2cc(Br)c([N+](=O)[O-])n2)c1OC ZINC000232198433 242273083 /nfs/dbraw/zinc/27/30/83/242273083.db2.gz LZQJNVNGFOSAMG-UHFFFAOYSA-N 0 0 343.137 2.014 40 5 EEBBRN Nc1nc(NCCc2nc(C(F)(F)F)cs2)ncc1[N+](=O)[O-] ZINC000078671574 217099463 /nfs/dbraw/zinc/09/94/63/217099463.db2.gz ZSORCKRMUANGAZ-UHFFFAOYSA-N 0 0 334.283 2.097 40 5 EEBBRN CCOC(=O)N1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000002729026 462600641 /nfs/dbraw/zinc/60/06/41/462600641.db2.gz HZKVQQIRTOBHCH-UHFFFAOYSA-N 0 0 341.751 2.163 40 5 EEBBRN COc1ccc([N+](=O)[O-])cc1NCn1nnc2cc([N+](=O)[O-])ccc21 ZINC000016227081 462972891 /nfs/dbraw/zinc/97/28/91/462972891.db2.gz DAIMHGFBLCYTBN-UHFFFAOYSA-N 0 0 344.287 2.326 40 5 EEBBRN Cc1ccc(NCCCNC(=O)[C@@H](C)n2cccn2)c([N+](=O)[O-])c1 ZINC000096416807 463249633 /nfs/dbraw/zinc/24/96/33/463249633.db2.gz DXYHYSDAYPRPPF-CYBMUJFWSA-N 0 0 331.376 2.279 40 5 EEBBRN Cc1c(F)cc(S(=O)(=O)N2CCc3cnccc32)cc1[N+](=O)[O-] ZINC000097097213 463323021 /nfs/dbraw/zinc/32/30/21/463323021.db2.gz MWLRBZQEUYSAJD-UHFFFAOYSA-N 0 0 337.332 2.189 40 5 EEBBRN Cc1cc([N+](=O)[O-])cnc1N1CCC[C@@H](c2nc(N(C)C)no2)C1 ZINC000253433030 465015158 /nfs/dbraw/zinc/01/51/58/465015158.db2.gz QYVRQJQQTFFDRW-LLVKDONJSA-N 0 0 332.364 2.131 40 5 EEBBRN COc1ccccc1C(=O)NC(=S)NNc1ccc([N+](=O)[O-])cc1 ZINC000009140605 211044787 /nfs/dbraw/zinc/04/47/87/211044787.db2.gz GOHKLIMPTUHHHS-UHFFFAOYSA-N 0 0 346.368 2.235 40 5 EEBBRN Cc1nn(C)c(C)c1OCC(=O)N1CCCc2c([N+](=O)[O-])cccc21 ZINC000095436676 218379398 /nfs/dbraw/zinc/37/93/98/218379398.db2.gz IDXQDNDTCKNIEA-UHFFFAOYSA-N 0 0 344.371 2.303 40 5 EEBBRN Cc1cc([N+](=O)[O-])ccc1C(=O)N=c1nc(-c2ccccc2)[nH]n1C ZINC000390833022 323545317 /nfs/dbraw/zinc/54/53/17/323545317.db2.gz ATPMKMUOHNPJID-UHFFFAOYSA-N 0 0 337.339 2.373 40 5 EEBBRN COc1ccc(-c2nc([C@H](N)c3ccccc3)n[nH]2)cc1[N+](=O)[O-] ZINC000095533480 463107269 /nfs/dbraw/zinc/10/72/69/463107269.db2.gz QYBUUADDSZTZPU-CQSZACIVSA-N 0 0 325.328 2.437 40 5 EEBBRN Cc1ncc(CNS(=O)(=O)c2c(C)ccc([N+](=O)[O-])c2C)s1 ZINC000096427790 463257274 /nfs/dbraw/zinc/25/72/74/463257274.db2.gz APIGYJNUQTVLOI-UHFFFAOYSA-N 0 0 341.414 2.455 40 5 EEBBRN COc1cccc(CC2CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])CC2)c1 ZINC000096502470 463292751 /nfs/dbraw/zinc/29/27/51/463292751.db2.gz UDVAJZRBRODQNP-UHFFFAOYSA-N 0 0 344.371 2.421 40 5 EEBBRN COC[C@H](C)N1CCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000097095561 463321445 /nfs/dbraw/zinc/32/14/45/463321445.db2.gz XGSXEOSBJSOWPO-NSHDSACASA-N 0 0 341.795 2.041 40 5 EEBBRN CNc1ccc(CN2CCN(Cc3ccncc3)CC2)cc1[N+](=O)[O-] ZINC000097236851 463353054 /nfs/dbraw/zinc/35/30/54/463353054.db2.gz VDQLORXEPFNMPT-UHFFFAOYSA-N 0 0 341.415 2.349 40 5 EEBBRN O=[N+]([O-])c1ccc(CN2CC[C@]3(C2)COCc2cncnc23)cc1F ZINC000306137631 466493086 /nfs/dbraw/zinc/49/30/86/466493086.db2.gz RBWHFXCMQDWYDQ-KRWDZBQOSA-N 0 0 344.346 2.198 40 5 EEBBRN Cc1ccc(S(=O)(=O)N2c3ccccc3C[C@@H]2CO)cc1[N+](=O)[O-] ZINC000585141078 468990833 /nfs/dbraw/zinc/99/08/33/468990833.db2.gz OUHFOOOQJINFFZ-CYBMUJFWSA-N 0 0 348.380 2.016 40 5 EEBBRN O=[N+]([O-])c1cnc(N2C[C@H]3CCC[C@@H](C2)C3O)c(Br)c1 ZINC000095407611 218344253 /nfs/dbraw/zinc/34/42/53/218344253.db2.gz WTOZICINORPMPR-USUYBEQLSA-N 0 0 342.193 2.350 40 5 EEBBRN NS(=O)(=O)c1cccc(NCC2(C3CC3)CCC2)c1[N+](=O)[O-] ZINC000097376194 219019266 /nfs/dbraw/zinc/01/92/66/219019266.db2.gz RAFJCLHRTHBYCM-UHFFFAOYSA-N 0 0 325.390 2.234 40 5 EEBBRN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H]1CCCC[C@@H]1C ZINC000042985620 286249806 /nfs/dbraw/zinc/24/98/06/286249806.db2.gz DOFPKHZDYGLQNB-CMPLNLGQSA-N 0 0 328.390 2.460 40 5 EEBBRN CCOc1ccc(S(=O)(=O)n2c(C)ncc2[N+](=O)[O-])c(C)c1C ZINC000000816477 462575451 /nfs/dbraw/zinc/57/54/51/462575451.db2.gz KFVMMYLGDLJDJN-UHFFFAOYSA-N 0 0 339.373 2.352 40 5 EEBBRN O=[N+]([O-])c1ccc([S@](=O)c2ccc(Cl)cc2)c2c1no[n+]2[O-] ZINC000006512748 462688588 /nfs/dbraw/zinc/68/85/88/462688588.db2.gz DUZBREXPWPQFEE-QFIPXVFZSA-N 0 0 339.716 2.190 40 5 EEBBRN O=C(c1cccc(O)c1)N1CCN(c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000096429371 463259077 /nfs/dbraw/zinc/25/90/77/463259077.db2.gz UEGAZCRTBQPAHH-UHFFFAOYSA-N 0 0 345.330 2.402 40 5 EEBBRN CS[C@@H](CO)[C@H](C)Nc1ncc([N+](=O)[O-])cc1Br ZINC000096452887 463272997 /nfs/dbraw/zinc/27/29/97/463272997.db2.gz ZIGRFFZTJZNCLH-RCOVLWMOSA-N 0 0 336.211 2.277 40 5 EEBBRN O=C(c1ccc2c(c1)OCC(=O)N2)N1CCc2c1cccc2[N+](=O)[O-] ZINC000172360421 526726459 /nfs/dbraw/zinc/72/64/59/526726459.db2.gz CUEQTVDBSLKFHM-UHFFFAOYSA-N 0 0 339.307 2.129 40 5 EEBBRN N#CCc1nc2ccccc2n1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000000148917 209451794 /nfs/dbraw/zinc/45/17/94/209451794.db2.gz GPFLCWVQHNWFPI-UHFFFAOYSA-N 0 0 342.336 2.248 40 5 EEBBRN O=C(NCC[S@@](=O)c1ccccc1)c1cc(F)ccc1[N+](=O)[O-] ZINC000078914698 217147962 /nfs/dbraw/zinc/14/79/62/217147962.db2.gz VEYIHRICAAVNKG-QHCPKHFHSA-N 0 0 336.344 2.272 40 5 EEBBRN Cn1ccc(N2CCC[C@H](Sc3ccc([N+](=O)[O-])cn3)C2=O)n1 ZINC000159686574 225259922 /nfs/dbraw/zinc/25/99/22/225259922.db2.gz HAZLNRYQGMSTRP-NSHDSACASA-N 0 0 333.373 2.011 40 5 EEBBRN NC(=O)[C@H]1CCCN(c2c(F)cc([N+](=O)[O-])cc2Br)C1 ZINC000096427288 295149929 /nfs/dbraw/zinc/14/99/29/295149929.db2.gz DLWJQQIZNQBPHQ-ZETCQYMHSA-N 0 0 346.156 2.198 40 5 EEBBRN Cn1c(=O)nc2n(-c3ccc([N+](=O)[O-])cc3)c3ccccc3cc-2c1=O ZINC000000179731 462545705 /nfs/dbraw/zinc/54/57/05/462545705.db2.gz NTKUMRQLMAPIRE-UHFFFAOYSA-N 0 0 348.318 2.097 40 5 EEBBRN C[C@H]1CCC[C@H](C)N1C(=O)Cn1nnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000000422692 462561243 /nfs/dbraw/zinc/56/12/43/462561243.db2.gz NZTNPSNOVKNWJA-RYUDHWBXSA-N 0 0 344.375 2.038 40 5 EEBBRN CCOC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C(=O)OC)CC1 ZINC000060858213 462568212 /nfs/dbraw/zinc/56/82/12/462568212.db2.gz WWOHLBRLJQTVQZ-UHFFFAOYSA-N 0 0 336.344 2.161 40 5 EEBBRN COCC[C@H](C)NC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000087221154 462596812 /nfs/dbraw/zinc/59/68/12/462596812.db2.gz PXIGBHKMKJMMFF-VIFPVBQESA-N 0 0 345.193 2.441 40 5 EEBBRN Cc1ccc(C(=O)NCC(=O)OCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000010042470 462811749 /nfs/dbraw/zinc/81/17/49/462811749.db2.gz CBAUSHHWNJDGFT-UHFFFAOYSA-N 0 0 328.324 2.376 40 5 EEBBRN COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@@H](C1=O)[C@@H]1C=C[C@H]2CC1 ZINC000017067199 462993657 /nfs/dbraw/zinc/99/36/57/462993657.db2.gz RVKRGQRTAABIGB-OWLDWWDNSA-N 0 0 328.324 2.305 40 5 EEBBRN Cc1cc(NC(=O)N2CC[C@](O)(C(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000097095980 463321154 /nfs/dbraw/zinc/32/11/54/463321154.db2.gz QNQXXGYVDWYVMO-GFCCVEGCSA-N 0 0 333.266 2.434 40 5 EEBBRN C[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)CN1C1CC1 ZINC000225536198 464168903 /nfs/dbraw/zinc/16/89/03/464168903.db2.gz AEVADVHLNVVUPE-QWRGUYRKSA-N 0 0 339.417 2.035 40 5 EEBBRN Nc1[nH]n(-c2ccccc2)c(=O)c1Sc1ccc([N+](=O)[O-])cc1 ZINC000100998506 219113595 /nfs/dbraw/zinc/11/35/95/219113595.db2.gz WZDIBJCALFLZJS-ZDUSSCGKSA-N 0 0 328.353 2.375 40 5 EEBBRN Cc1ccc(NC(=O)CSc2nnc(N)s2)cc1[N+](=O)[O-] ZINC000003601790 210063945 /nfs/dbraw/zinc/06/39/45/210063945.db2.gz SJXFYVRLUDTWHJ-UHFFFAOYSA-N 0 0 325.375 2.068 40 5 EEBBRN CC(=O)N[C@H](Cc1ccccc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000001600534 209765104 /nfs/dbraw/zinc/76/51/04/209765104.db2.gz PTSGTLCWRJMKFT-MRXNPFEDSA-N 0 0 327.340 2.281 40 5 EEBBRN COc1cccc(CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000223736130 241685031 /nfs/dbraw/zinc/68/50/31/241685031.db2.gz YFWZNYVNQIOIBQ-UHFFFAOYSA-N 0 0 336.369 2.424 40 5 EEBBRN COc1ccc(O)c(NC(=S)NC(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000009064255 211037717 /nfs/dbraw/zinc/03/77/17/211037717.db2.gz OPJJEDWXPZPFKH-UHFFFAOYSA-N 0 0 347.352 2.436 40 5 EEBBRN C[C@@H](c1cccnc1)N1CCN(c2cc(N)ccc2[N+](=O)[O-])CC1 ZINC000193433580 274279231 /nfs/dbraw/zinc/27/92/31/274279231.db2.gz PVFRUZGLDTVRGR-ZDUSSCGKSA-N 0 0 327.388 2.455 40 5 EEBBRN O=[N+]([O-])c1cccc(-n2c(O)c3c(c2O)Sc2ccccc2N3)c1 ZINC000001624749 462585306 /nfs/dbraw/zinc/58/53/06/462585306.db2.gz YLNRKQNNHZDAES-KGLIPLIRSA-N 0 0 341.348 2.423 40 5 EEBBRN O=C(COC(=O)c1cccc([N+](=O)[O-])c1)Nc1cccc([N+](=O)[O-])c1 ZINC000003506704 462621657 /nfs/dbraw/zinc/62/16/57/462621657.db2.gz TVBMGQRERRQEGI-UHFFFAOYSA-N 0 0 345.267 2.299 40 5 EEBBRN O=C(COC(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000010647272 462822248 /nfs/dbraw/zinc/82/22/48/462822248.db2.gz DYNVAMJJODLNBT-UHFFFAOYSA-N 0 0 345.267 2.299 40 5 EEBBRN O=C(c1cc2cc([N+](=O)[O-])ccc2[nH]1)N1CCC2(CC1)OCCO2 ZINC000048319697 462893559 /nfs/dbraw/zinc/89/35/59/462893559.db2.gz RSTXVTPMQBKRSY-UHFFFAOYSA-N 0 0 331.328 2.055 40 5 EEBBRN CCc1nn(C)c(N2CCC[C@@H](Cc3noc(C)n3)C2)c1[N+](=O)[O-] ZINC000096496707 463290424 /nfs/dbraw/zinc/29/04/24/463290424.db2.gz YZTSLAFSXCBDCU-NSHDSACASA-N 0 0 334.380 2.041 40 5 EEBBRN Cc1ccc(C(=O)NC[C@@H](O)COc2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000058170924 463547992 /nfs/dbraw/zinc/54/79/92/463547992.db2.gz JYRKQZOPCBEPIQ-OAHLLOKOSA-N 0 0 344.367 2.381 40 5 EEBBRN O=C(NCc1ccccc1[N+](=O)[O-])N1CCC(Cn2cccn2)CC1 ZINC000172350785 464060714 /nfs/dbraw/zinc/06/07/14/464060714.db2.gz SROOTUJEYMULAF-UHFFFAOYSA-N 0 0 343.387 2.413 40 5 EEBBRN Cc1cnc(OCC(=O)N2CCc3sccc3C2)c([N+](=O)[O-])c1 ZINC000176708589 464831068 /nfs/dbraw/zinc/83/10/68/464831068.db2.gz ZCFVIFQWSRHMRJ-UHFFFAOYSA-N 0 0 333.369 2.323 40 5 EEBBRN CCOc1ccc([N+](=O)[O-])c(C(=O)N2CCCC[C@H]2C(=O)OC)c1 ZINC000253392558 464997731 /nfs/dbraw/zinc/99/77/31/464997731.db2.gz LTMYMTDBLHKXTR-AWEZNQCLSA-N 0 0 336.344 2.161 40 5 EEBBRN CCOc1ccc([N+](=O)[O-])c(C(=O)N2CCCC[C@@H]2C(=O)OC)c1 ZINC000253392559 464997988 /nfs/dbraw/zinc/99/79/88/464997988.db2.gz LTMYMTDBLHKXTR-CQSZACIVSA-N 0 0 336.344 2.161 40 5 EEBBRN CC(C)(C)SCCOc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000252482387 535030796 /nfs/dbraw/zinc/03/07/96/535030796.db2.gz DEJOHPNWPMIMLX-UHFFFAOYSA-N 0 0 334.419 2.153 40 5 EEBBRN COC(=O)C[C@@H]1CCCCN1CC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000054394529 214236346 /nfs/dbraw/zinc/23/63/46/214236346.db2.gz BLOAQDZDDZFWNX-AWEZNQCLSA-N 0 0 349.387 2.259 40 5 EEBBRN CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)[C@H]1CC1[N+](=O)[O-] ZINC000078876053 217136854 /nfs/dbraw/zinc/13/68/54/217136854.db2.gz PJSZRZBRJCGPIT-DTWKUNHWSA-N 0 0 340.357 2.040 40 5 EEBBRN O=C1NCCN1[C@@H]1CCCN(c2ccc3cc([N+](=O)[O-])ccc3n2)C1 ZINC000079311221 217207613 /nfs/dbraw/zinc/20/76/13/217207613.db2.gz UMUSPXLOODYFKT-CQSZACIVSA-N 0 0 341.371 2.137 40 5 EEBBRN Cn1ccnc1CCNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000079781762 217253991 /nfs/dbraw/zinc/25/39/91/217253991.db2.gz TXUTWKMVGGVFKA-UHFFFAOYSA-N 0 0 342.277 2.320 40 5 EEBBRN CCn1nc(C)c(CNC(=O)CN(C)c2ccccc2[N+](=O)[O-])c1C ZINC000079956928 217266993 /nfs/dbraw/zinc/26/69/93/217266993.db2.gz RXZIGRYGMHNQQK-UHFFFAOYSA-N 0 0 345.403 2.181 40 5 EEBBRN COc1ccccc1C[C@@H](C)N(C)C(=O)c1[nH]nc(C)c1[N+](=O)[O-] ZINC000080996015 217347274 /nfs/dbraw/zinc/34/72/74/217347274.db2.gz KQIDIDGREDILSI-SNVBAGLBSA-N 0 0 332.360 2.338 40 5 EEBBRN O=C(CN(C[C@@H]1CCCO1)c1ccccc1[N+](=O)[O-])N1CCCC1 ZINC000095430922 218374003 /nfs/dbraw/zinc/37/40/03/218374003.db2.gz XXFXUNMQHLTDNY-AWEZNQCLSA-N 0 0 333.388 2.203 40 5 EEBBRN COc1ccccc1CNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000003094199 462609713 /nfs/dbraw/zinc/60/97/13/462609713.db2.gz WXZIFEBDKGBHIW-UHFFFAOYSA-N 0 0 331.284 2.442 40 5 EEBBRN COc1cccc(NC(=O)COC(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000003506583 462621933 /nfs/dbraw/zinc/62/19/33/462621933.db2.gz LVZBKRQKLHQUJP-UHFFFAOYSA-N 0 0 330.296 2.399 40 5 EEBBRN Nc1c(Cl)cc([N+](=O)[O-])c(N2CCOCC2)c1Br ZINC000045891250 462628189 /nfs/dbraw/zinc/62/81/89/462628189.db2.gz GKLBUFXTTICVAN-UHFFFAOYSA-N 0 0 336.573 2.430 40 5 EEBBRN CN(c1ccc2c(c1)OCO2)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000074916022 462652854 /nfs/dbraw/zinc/65/28/54/462652854.db2.gz DEWDFOAAMXQYLK-UHFFFAOYSA-N 0 0 336.325 2.149 40 5 EEBBRN O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(c2cncc(Cl)n2)CC1 ZINC000077229447 462956702 /nfs/dbraw/zinc/95/67/02/462956702.db2.gz HDUJLQDFQBFHLJ-UHFFFAOYSA-N 0 0 347.762 2.001 40 5 EEBBRN CCc1nn(C)c(NC2CCN(C(=O)c3ccco3)CC2)c1[N+](=O)[O-] ZINC000094133445 463061709 /nfs/dbraw/zinc/06/17/09/463061709.db2.gz DOZBRCSGYKMVAJ-UHFFFAOYSA-N 0 0 347.375 2.200 40 5 EEBBRN COc1cccc([C@@H](N)c2nc(Cc3ccc([N+](=O)[O-])cc3)n[nH]2)c1 ZINC000095533583 463107223 /nfs/dbraw/zinc/10/72/23/463107223.db2.gz CWJKFZLCCZZEKL-MRXNPFEDSA-N 0 0 339.355 2.360 40 5 EEBBRN CCc1nn(C)c(N2CCC[C@H](Cc3noc(C)n3)C2)c1[N+](=O)[O-] ZINC000096496706 463290268 /nfs/dbraw/zinc/29/02/68/463290268.db2.gz YZTSLAFSXCBDCU-LLVKDONJSA-N 0 0 334.380 2.041 40 5 EEBBRN Cc1ccc(C(=O)NC[C@@H]2COc3ccccc3O2)cc1[N+](=O)[O-] ZINC000031241071 463330295 /nfs/dbraw/zinc/33/02/95/463330295.db2.gz UUCPPSCORIFJNW-CYBMUJFWSA-N 0 0 328.324 2.473 40 5 EEBBRN C[C@H]1CN(C)c2ccccc2CN1C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000081613380 463471331 /nfs/dbraw/zinc/47/13/31/463471331.db2.gz NGZOMJPLAGQANE-ZDUSSCGKSA-N 0 0 343.387 2.049 40 5 EEBBRN Cc1cc([C@@H](C)NS(=O)(=O)c2ccc([N+](=O)[O-])nc2)c(C)o1 ZINC000195171594 464010012 /nfs/dbraw/zinc/01/00/12/464010012.db2.gz FRCVRGSVORLRKD-SECBINFHSA-N 0 0 325.346 2.239 40 5 EEBBRN O=C(NCCc1cccc([N+](=O)[O-])c1)N1CCC[C@H]1[C@@H]1CCCO1 ZINC000253416444 465004732 /nfs/dbraw/zinc/00/47/32/465004732.db2.gz DNSXEHGVELUFIA-HOTGVXAUSA-N 0 0 333.388 2.490 40 5 EEBBRN Cc1nn(C)c(N2CCC[C@@H](c3noc(C4CC4)n3)C2)c1[N+](=O)[O-] ZINC000253429542 465012390 /nfs/dbraw/zinc/01/23/90/465012390.db2.gz SWJVRMNUKRSZEB-LLVKDONJSA-N 0 0 332.364 2.281 40 5 EEBBRN CCC1=NN(C(=O)c2ccccc2[N+](=O)[O-])[C@](O)(c2ccncc2)C1 ZINC000408751521 466682768 /nfs/dbraw/zinc/68/27/68/466682768.db2.gz SRCIBAYBBDLRDP-QGZVFWFLSA-N 0 0 340.339 2.447 40 5 EEBBRN Cn1ncc2c1ncnc2SCCOc1ccccc1[N+](=O)[O-] ZINC000053713817 214195680 /nfs/dbraw/zinc/19/56/80/214195680.db2.gz JCAMUHHMAKRRAK-UHFFFAOYSA-N 0 0 331.357 2.443 40 5 EEBBRN O=[N+]([O-])c1cnc(N[C@H]2CCCc3c2cnn3CCO)c(Cl)c1 ZINC000095398903 218331915 /nfs/dbraw/zinc/33/19/15/218331915.db2.gz HZJKASONDZBINT-LBPRGKRZSA-N 0 0 337.767 2.322 40 5 EEBBRN O=[N+]([O-])c1cnc(N2CCN(Cc3ccccc3Cl)CC2)nc1 ZINC000273689385 285174343 /nfs/dbraw/zinc/17/43/43/285174343.db2.gz BCKGQXGOTFQQTM-UHFFFAOYSA-N 0 0 333.779 2.360 40 5 EEBBRN COc1ccc(-n2c(=O)c3ccc4[nH]c(=O)c5ccc(c2=O)c3c45)cc1 ZINC000005553808 274104879 /nfs/dbraw/zinc/10/48/79/274104879.db2.gz HDSZINNPVWFHHP-UHFFFAOYSA-N 0 0 344.326 2.230 40 5 EEBBRN N[C@H](c1nc(Cc2ccc([N+](=O)[O-])cc2)n[nH]1)c1ccc(F)cc1 ZINC000095533317 463107712 /nfs/dbraw/zinc/10/77/12/463107712.db2.gz GARURNDAUFPKEL-HNNXBMFYSA-N 0 0 327.319 2.491 40 5 EEBBRN CS[C@H](CO)[C@@H](C)Nc1ncc([N+](=O)[O-])cc1Br ZINC000096452886 463273004 /nfs/dbraw/zinc/27/30/04/463273004.db2.gz ZIGRFFZTJZNCLH-HZGVNTEJSA-N 0 0 336.211 2.277 40 5 EEBBRN C[C@@H]1CCCCN1CCNc1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000096487416 463284992 /nfs/dbraw/zinc/28/49/92/463284992.db2.gz GIHAORXPQTXSTD-GFCCVEGCSA-N 0 0 341.433 2.285 40 5 EEBBRN O=C(NC(=S)Nc1ccccc1[N+](=O)[O-])c1ccc2c(c1)OCO2 ZINC000032127027 463366342 /nfs/dbraw/zinc/36/63/42/463366342.db2.gz SSSAZYFKKYHRAU-UHFFFAOYSA-N 0 0 345.336 2.450 40 5 EEBBRN COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cccc([N+](=O)[O-])c2)C1=O ZINC000409100291 466685159 /nfs/dbraw/zinc/68/51/59/466685159.db2.gz UDZKQYSFJHQNTH-XAPLUZPNSA-N 0 0 336.325 2.193 40 5 EEBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1C[C@H](C)O[C@@H](C)C1 ZINC000015979022 211873704 /nfs/dbraw/zinc/87/37/04/211873704.db2.gz IKTVHVGEFACJKS-SDDRHHMPSA-N 0 0 337.376 2.040 40 5 EEBBRN Nc1ccc(C(=O)N2CCOC[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000096433029 218808983 /nfs/dbraw/zinc/80/89/83/218808983.db2.gz AKDYXXOLRYTSRJ-MRXNPFEDSA-N 0 0 327.340 2.391 40 5 EEBBRN COCCN1C(=O)S/C(=C/c2ccc(OC)c([N+](=O)[O-])c2)C1=O ZINC000409141363 257877302 /nfs/dbraw/zinc/87/73/02/257877302.db2.gz IIKZJIOSTSFQNN-XYOKQWHBSA-N 0 0 338.341 2.286 40 5 EEBBRN O=[N+]([O-])c1cccc(N(C[C@@H]2CO2)S(=O)(=O)c2ccccc2)c1 ZINC000000380643 462557911 /nfs/dbraw/zinc/55/79/11/462557911.db2.gz OMTUTHAJWNGTPL-CQSZACIVSA-N 0 0 334.353 2.189 40 5 EEBBRN COC(=O)c1nn2c(c1C(=O)OC)c1cccc3cccc(c2=O)c31 ZINC000001715971 462586011 /nfs/dbraw/zinc/58/60/11/462586011.db2.gz JUHFGCDCAWTVBE-UHFFFAOYSA-N 0 0 336.303 2.012 40 5 EEBBRN CS[C@H]1c2c(cc(=O)[nH]c2-c2ccc([N+](=O)[O-])cc2)C(=O)N1C ZINC000062716536 462623408 /nfs/dbraw/zinc/62/34/08/462623408.db2.gz LXQUHFVSENAMAT-HNNXBMFYSA-N 0 0 331.353 2.397 40 5 EEBBRN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCCCOCC(C)C ZINC000046034087 462638908 /nfs/dbraw/zinc/63/89/08/462638908.db2.gz IMJJALHYHITRIZ-UHFFFAOYSA-N 0 0 330.406 2.244 40 5 EEBBRN Cn1c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2n(C)c1=O ZINC000047219418 462756380 /nfs/dbraw/zinc/75/63/80/462756380.db2.gz LUZZRBFEVYOIAW-UHFFFAOYSA-N 0 0 326.312 2.038 40 5 EEBBRN O=C(C[C@@H]1Oc2ccccc2NC1=O)Nc1cccc([N+](=O)[O-])c1 ZINC000007916086 462757427 /nfs/dbraw/zinc/75/74/27/462757427.db2.gz SKSOBWXKWULQMQ-AWEZNQCLSA-N 0 0 327.296 2.323 40 5 EEBBRN COC(=O)Cc1csc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)n1 ZINC000047339176 462770778 /nfs/dbraw/zinc/77/07/78/462770778.db2.gz DNVZLYMKXXXGFP-QPJJXVBHSA-N 0 0 347.352 2.419 40 5 EEBBRN Cc1ccccc1[C@H](O)CNC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000096405745 463239315 /nfs/dbraw/zinc/23/93/15/463239315.db2.gz KPZQWSZIWPJPOX-MRXNPFEDSA-N 0 0 329.356 2.436 40 5 EEBBRN C[C@H]1[C@H](n2ccc3nc4ccn(N)c(=O)c4cc3c2=O)CCC[C@@H]1C ZINC000040398619 463455781 /nfs/dbraw/zinc/45/57/81/463455781.db2.gz SGDONNJHAFBSFT-XWCIJXRUSA-N 0 0 338.411 2.422 40 5 EEBBRN O=C(c1cccc([N+](=O)[O-])c1)N1CCN(C[C@@H]2CCC=CO2)CC1 ZINC000252508194 464975467 /nfs/dbraw/zinc/97/54/67/464975467.db2.gz XFXJYTRQJSLVJP-INIZCTEOSA-N 0 0 331.372 2.045 40 5 EEBBRN O=C(NCCC1(O)CCC1)c1ccc([N+](=O)[O-])cc1Br ZINC000253422953 465009120 /nfs/dbraw/zinc/00/91/20/465009120.db2.gz LKZMUUHCBCIXGV-UHFFFAOYSA-N 0 0 343.177 2.392 40 5 EEBBRN COC[C@H]1CN(c2cc(Br)ccc2[N+](=O)[O-])CCO1 ZINC000096476834 277267792 /nfs/dbraw/zinc/26/77/92/277267792.db2.gz AOPCBOIJVIAIDK-SNVBAGLBSA-N 0 0 331.166 2.209 40 5 EEBBRN [NH3+][C@@H](Cc1ccccc1)c1nnc(-c2ccc([O-])c([N+](=O)[O-])c2)[nH]1 ZINC000095534922 463108721 /nfs/dbraw/zinc/10/87/21/463108721.db2.gz VYUHXJFGNISEPK-LBPRGKRZSA-N 0 0 325.328 2.328 40 5 EEBBRN Cc1n[nH]c(C(=O)N2CCC(Oc3ccc(F)cc3)CC2)c1[N+](=O)[O-] ZINC000096406435 463240414 /nfs/dbraw/zinc/24/04/14/463240414.db2.gz COSQEKFQZBDGAI-UHFFFAOYSA-N 0 0 348.334 2.449 40 5 EEBBRN Cc1cc(S(=O)(=O)N[C@H](C)c2nccs2)ccc1[N+](=O)[O-] ZINC000096406687 463240442 /nfs/dbraw/zinc/24/04/42/463240442.db2.gz FOGFJVLMJCIUSG-SECBINFHSA-N 0 0 327.387 2.399 40 5 EEBBRN Cc1ccc(NCCCNC(=O)[C@H](C)n2cccn2)c([N+](=O)[O-])c1 ZINC000096416808 463249320 /nfs/dbraw/zinc/24/93/20/463249320.db2.gz DXYHYSDAYPRPPF-ZDUSSCGKSA-N 0 0 331.376 2.279 40 5 EEBBRN COc1cc(F)c([N+](=O)[O-])c(N2CCN(Cc3ccccn3)CC2)c1 ZINC000096453282 463273945 /nfs/dbraw/zinc/27/39/45/463273945.db2.gz FZCYUULTHAAEBO-UHFFFAOYSA-N 0 0 346.362 2.460 40 5 EEBBRN CC[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])nc1)c1cccs1 ZINC000195125880 463998194 /nfs/dbraw/zinc/99/81/94/463998194.db2.gz YQLCZCROBAULBP-JTQLQIEISA-N 0 0 327.387 2.481 40 5 EEBBRN CN(C)c1cc2[nH]c(=O)[nH]c2cc1NC(=O)c1ccccc1[N+](=O)[O-] ZINC000408531116 466680423 /nfs/dbraw/zinc/68/04/23/466680423.db2.gz NGENDBGHUWLFNH-UHFFFAOYSA-N 0 0 341.327 2.495 40 5 EEBBRN CCOC(=O)N[C@@H]1CCCN(C(=O)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000040539255 213341808 /nfs/dbraw/zinc/34/18/08/213341808.db2.gz RPGMLODUJOIOGN-CYBMUJFWSA-N 0 0 335.360 2.254 40 5 EEBBRN O=C(n1ccnc1)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000010006598 135688573 /nfs/dbraw/zinc/68/85/73/135688573.db2.gz LMONKPZGYSABJP-UHFFFAOYSA-N 0 0 335.751 2.235 40 5 EEBBRN C[C@@H]1CCC[C@H](C)N1C(=O)Cn1nnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000000422690 462561566 /nfs/dbraw/zinc/56/15/66/462561566.db2.gz NZTNPSNOVKNWJA-TXEJJXNPSA-N 0 0 344.375 2.038 40 5 EEBBRN Cc1ccc(C)c(S(=O)(=O)NCCc2nccs2)c1[N+](=O)[O-] ZINC000195579926 464082510 /nfs/dbraw/zinc/08/25/10/464082510.db2.gz UYIDUYRAKBFNIO-UHFFFAOYSA-N 0 0 341.414 2.189 40 5 EEBBRN CCOc1ccc([N+](=O)[O-])c(-c2nc(Cc3noc(C)n3)no2)c1 ZINC000252495804 464969907 /nfs/dbraw/zinc/96/99/07/464969907.db2.gz PAVARKBIZCJOIA-UHFFFAOYSA-N 0 0 331.288 2.326 40 5 EEBBRN Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CCCN(c2cccnn2)C1 ZINC000194721092 240687838 /nfs/dbraw/zinc/68/78/38/240687838.db2.gz LFVBLYYUBVJXKC-ZDUSSCGKSA-N 0 0 341.371 2.092 40 5 EEBBRN NC1(N)ON(c2ccc(C=O)cc2)[C@H](c2ccc([N+](=O)[O-])cc2)S1 ZINC000019328190 212017040 /nfs/dbraw/zinc/01/70/40/212017040.db2.gz JSFGPKQQYUFBJF-AWEZNQCLSA-N 0 0 346.368 2.120 40 5 EEBBRN CCc1ccc([C@H]2CCCCCN2C(=O)Cn2cnc([N+](=O)[O-])n2)o1 ZINC000096416724 218777345 /nfs/dbraw/zinc/77/73/45/218777345.db2.gz CXQIDKAOJGGWOY-CYBMUJFWSA-N 0 0 347.375 2.486 40 5 EEBBRN O=C(Cc1cccc([N+](=O)[O-])c1)NC[C@]1(O)CCCc2ccccc21 ZINC000096436424 218815895 /nfs/dbraw/zinc/81/58/95/218815895.db2.gz XJTOODCSBYKEDX-LJQANCHMSA-N 0 0 340.379 2.478 40 5 EEBBRN O=[N+]([O-])c1cc(F)ccc1N1CCC(c2ccnn2CCO)CC1 ZINC000253398598 285095178 /nfs/dbraw/zinc/09/51/78/285095178.db2.gz CNDFYLUVOWESKA-UHFFFAOYSA-N 0 0 334.351 2.307 40 5 EEBBRN CCOC(=O)C1(O)CCN(c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000253415552 276273549 /nfs/dbraw/zinc/27/35/49/276273549.db2.gz VQDREOVLKPNYFJ-UHFFFAOYSA-N 0 0 328.752 2.143 40 5 EEBBRN COc1c2c(c(Br)c([N+](=O)[O-])c1[N+](=O)[O-])OCCO2 ZINC000005320430 462655006 /nfs/dbraw/zinc/65/50/06/462655006.db2.gz TVXHGZIUHHVMLQ-UHFFFAOYSA-N 0 0 335.066 2.045 40 5 EEBBRN Cc1[nH]nc(C(=O)Nc2cc(CCc3ccccc3)[nH]n2)c1[N+](=O)[O-] ZINC000077036924 462937290 /nfs/dbraw/zinc/93/72/90/462937290.db2.gz BQUNIFVTZOLKKN-UHFFFAOYSA-N 0 0 340.343 2.387 40 5 EEBBRN CCn1cc(NC(=O)C2CCN(c3ncccc3[N+](=O)[O-])CC2)cn1 ZINC000078333993 463105078 /nfs/dbraw/zinc/10/50/78/463105078.db2.gz TWMDJDDXBKGYLI-UHFFFAOYSA-N 0 0 344.375 2.061 40 5 EEBBRN N[C@H](c1nc(COc2cccc([N+](=O)[O-])c2)n[nH]1)c1ccc(F)cc1 ZINC000095533319 463107328 /nfs/dbraw/zinc/10/73/28/463107328.db2.gz NPRWJWZVOZKGSC-HNNXBMFYSA-N 0 0 343.318 2.479 40 5 EEBBRN C[C@H](N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC1)C(F)(F)F ZINC000096454429 463274059 /nfs/dbraw/zinc/27/40/59/463274059.db2.gz GZTAUEAMEPHGGX-VIFPVBQESA-N 0 0 349.284 2.443 40 5 EEBBRN CC(=O)N[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000096453573 463274205 /nfs/dbraw/zinc/27/42/05/463274205.db2.gz BLRSXMVWFLIQMJ-SNVBAGLBSA-N 0 0 342.193 2.462 40 5 EEBBRN O=C(NCc1cccs1)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000096500724 463291876 /nfs/dbraw/zinc/29/18/76/463291876.db2.gz UYWYLYFQNGJBBZ-AWEZNQCLSA-N 0 0 331.353 2.466 40 5 EEBBRN O=C(COc1ccccc1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000040121386 463454138 /nfs/dbraw/zinc/45/41/38/463454138.db2.gz BCAQONWLRMCROC-UHFFFAOYSA-N 0 0 341.367 2.322 40 5 EEBBRN O=C(NCCNc1ccc([N+](=O)[O-])c2cnccc12)c1cccnc1 ZINC000071953980 463478312 /nfs/dbraw/zinc/47/83/12/463478312.db2.gz KBEKLEBORMGPQU-UHFFFAOYSA-N 0 0 337.339 2.380 40 5 EEBBRN CC(C)CN1C(=O)C(=O)N(Cc2cc([N+](=O)[O-])ccc2Cl)C1=O ZINC000172023073 463971391 /nfs/dbraw/zinc/97/13/91/463971391.db2.gz SNOKSZZRUVGVTI-UHFFFAOYSA-N 0 0 339.735 2.195 40 5 EEBBRN CC[C@@H](C(=O)N1CCCc2c([N+](=O)[O-])cccc21)N1CCCC1=O ZINC000182200367 464597705 /nfs/dbraw/zinc/59/77/05/464597705.db2.gz NRCLRLZUFFNDOQ-ZDUSSCGKSA-N 0 0 331.372 2.275 40 5 EEBBRN CCOCn1c(Br)nc([N+](=O)[O-])c1Br ZINC000059086366 1367393329 /nfs/dbraw/zinc/39/33/29/1367393329.db2.gz DFJNKJZKXKSDBF-UHFFFAOYSA-N 0 0 328.948 2.310 40 5 EEBBRN C[C@@H](OC(=O)[C@H]1CC(=O)N(CC2CC2)C1)c1ccccc1[N+](=O)[O-] ZINC000078442473 202396747 /nfs/dbraw/zinc/39/67/47/202396747.db2.gz WSINKBKLEPENPJ-YPMHNXCESA-N 0 0 332.356 2.458 40 5 EEBBRN CCOc1ccccc1CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000038754415 202407108 /nfs/dbraw/zinc/40/71/08/202407108.db2.gz VKDLOQHKXZCZJY-UHFFFAOYSA-N 0 0 336.369 2.472 40 5 EEBBRN COC(=O)c1cc([N+](=O)[O-])c(NCc2cccnc2)c([N+](=O)[O-])c1 ZINC000026508879 201061247 /nfs/dbraw/zinc/06/12/47/201061247.db2.gz JLGJXFURVPBWFE-UHFFFAOYSA-N 0 0 332.272 2.297 40 5 EEBBRN Cn1cc(C(=O)OCc2cnc(-c3ccc([N+](=O)[O-])cc3)o2)cn1 ZINC000096410833 218764829 /nfs/dbraw/zinc/76/48/29/218764829.db2.gz MNCALXDGBJCDNV-UHFFFAOYSA-N 0 0 328.284 2.340 40 5 EEBBRN Cc1ccc(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)c(=O)[nH]1 ZINC000096416498 218777644 /nfs/dbraw/zinc/77/76/44/218777644.db2.gz HWSGHQDTFLMFCS-UHFFFAOYSA-N 0 0 329.356 2.344 40 5 EEBBRN O=C(Nc1ccc(OCc2ccccn2)c(F)c1)[C@H]1CC1[N+](=O)[O-] ZINC000096445203 218826912 /nfs/dbraw/zinc/82/69/12/218826912.db2.gz WUHBNHFIGNRSNU-JSGCOSHPSA-N 0 0 331.303 2.403 40 5 EEBBRN COc1ccc(C[C@@H]2CCCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)cc1 ZINC000195547448 323514654 /nfs/dbraw/zinc/51/46/54/323514654.db2.gz NXGAIUQHFSQMEJ-ZDUSSCGKSA-N 0 0 344.371 2.421 40 5 EEBBRN CC[C@@H](C(=O)Nc1c(C)[nH]nc1C(F)(F)F)n1cc([N+](=O)[O-])cn1 ZINC000006265703 462680855 /nfs/dbraw/zinc/68/08/55/462680855.db2.gz CPHXPBBWDRRVGC-QMMMGPOBSA-N 0 0 346.269 2.431 40 5 EEBBRN Cc1ccccc1[C@@H](O)CNC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000096405746 463239098 /nfs/dbraw/zinc/23/90/98/463239098.db2.gz KPZQWSZIWPJPOX-INIZCTEOSA-N 0 0 329.356 2.436 40 5 EEBBRN CCS(=O)(=O)C(Cl)(Cl)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000096519662 463294316 /nfs/dbraw/zinc/29/43/16/463294316.db2.gz SUPCWZUDKHFLMK-SECBINFHSA-N 0 0 328.173 2.194 40 5 EEBBRN Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CCN(C(=O)C2CCCC2)C1 ZINC000225562536 464172339 /nfs/dbraw/zinc/17/23/39/464172339.db2.gz CMLXMRVPUCNVAV-CQSZACIVSA-N 0 0 345.399 2.424 40 5 EEBBRN CCc1nnc(SCC(=O)Nc2cccc([N+](=O)[O-])c2)n1CC ZINC000013992529 201922742 /nfs/dbraw/zinc/92/27/42/201922742.db2.gz XKOJZRUNIBUAOI-UHFFFAOYSA-N 0 0 335.389 2.499 40 5 EEBBRN Cc1c(C(=O)Nc2ccnn2-c2ccc([N+](=O)[O-])cc2)cnn1C ZINC000068103878 202203801 /nfs/dbraw/zinc/20/38/01/202203801.db2.gz LIUVMTSHTRGKKK-UHFFFAOYSA-N 0 0 326.316 2.075 40 5 EEBBRN CCOc1cccc([N+](=O)[O-])c1C(=O)NCc1nnc(C(C)C)n1C ZINC000281296882 201324792 /nfs/dbraw/zinc/32/47/92/201324792.db2.gz REPLFYSNQIVLKN-UHFFFAOYSA-N 0 0 347.375 2.175 40 5 EEBBRN Cc1cc(=O)n(CCC(=O)c2ccc3c(c2)OCCO3)cc1[N+](=O)[O-] ZINC000278783930 201311686 /nfs/dbraw/zinc/31/16/86/201311686.db2.gz VIFYOFLVBBJGOE-UHFFFAOYSA-N 0 0 344.323 2.109 40 5 EEBBRN O=C(N1CCC(CNc2ncccc2[N+](=O)[O-])CC1)C(F)(F)F ZINC000084928021 201671864 /nfs/dbraw/zinc/67/18/64/201671864.db2.gz IZPKWODZALBWAP-UHFFFAOYSA-N 0 0 332.282 2.203 40 5 EEBBRN O=C1c2ccccc2C(=O)N1CCOc1c(Cl)cncc1[N+](=O)[O-] ZINC000253417826 243942346 /nfs/dbraw/zinc/94/23/46/243942346.db2.gz MXORDPMHASRVHW-UHFFFAOYSA-N 0 0 347.714 2.318 40 5 EEBBRN CC(=O)[C@H]1[C@@H](c2ccc([N+](=O)[O-])cc2)c2c(C)n[nH]c2C[C@]1(C)O ZINC000004172057 278237727 /nfs/dbraw/zinc/23/77/27/278237727.db2.gz KLUFAIXBSGETEP-QZWWFDLISA-N 0 0 329.356 2.485 40 5 EEBBRN COCN1c2ccc([N+](=O)[O-])cc2C(c2ccccc2)=NCC1=O ZINC000004216987 462629512 /nfs/dbraw/zinc/62/95/12/462629512.db2.gz CWCAUFWLFIUQHP-UHFFFAOYSA-N 0 0 325.324 2.383 40 5 in-man EEBBRN O=C(Nc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000005344460 462656511 /nfs/dbraw/zinc/65/65/11/462656511.db2.gz IBRPVMOCJJBNND-UHFFFAOYSA-N 0 0 330.256 2.080 40 5 EEBBRN O=C(NC[C@@H]1CCCO1)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000008471898 462784487 /nfs/dbraw/zinc/78/44/87/462784487.db2.gz LQJFTIULISXPNR-VIFPVBQESA-N 0 0 329.150 2.266 40 5 EEBBRN CN(CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000013673793 462899925 /nfs/dbraw/zinc/89/99/25/462899925.db2.gz SVDHGLPZGBIBBM-UHFFFAOYSA-N 0 0 335.385 2.010 40 5 EEBBRN COc1cccc([C@H](N)c2nc(Cc3ccc([N+](=O)[O-])cc3)n[nH]2)c1 ZINC000095533582 463106348 /nfs/dbraw/zinc/10/63/48/463106348.db2.gz CWJKFZLCCZZEKL-INIZCTEOSA-N 0 0 339.355 2.360 40 5 EEBBRN O=C(CN1C(=O)COc2ccccc21)OCc1ccccc1[N+](=O)[O-] ZINC000025124319 463110768 /nfs/dbraw/zinc/11/07/68/463110768.db2.gz VSJBMJMIEJJCBS-UHFFFAOYSA-N 0 0 342.307 2.064 40 5 EEBBRN Cc1ccc(NCCCNC(=O)[C@@H](C)n2ccnc2)c([N+](=O)[O-])c1 ZINC000096417189 463249368 /nfs/dbraw/zinc/24/93/68/463249368.db2.gz BFCDYIOCMVDFCV-CYBMUJFWSA-N 0 0 331.376 2.279 40 5 EEBBRN Cc1ccc(CN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C2CC2)cc1 ZINC000096468001 463277874 /nfs/dbraw/zinc/27/78/74/463277874.db2.gz ASHNOKAEEQCKCY-UHFFFAOYSA-N 0 0 341.367 2.256 40 5 EEBBRN CC(C)c1nc2n(n1)CCC[C@@H]2NC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000188309625 464250553 /nfs/dbraw/zinc/25/05/53/464250553.db2.gz SWZFGPKSAYUXPN-ZDUSSCGKSA-N 0 0 344.375 2.157 40 5 EEBBRN CCOC(=O)c1ccc(N2CCN(C(=O)C(C)C)CC2)c([N+](=O)[O-])c1 ZINC000408573741 466681002 /nfs/dbraw/zinc/68/10/02/466681002.db2.gz NXKTVRGTFJXDRO-UHFFFAOYSA-N 0 0 349.387 2.076 40 5 EEBBRN Nc1ncc(C(=O)N[C@@H]2CCCOc3ccccc32)cc1[N+](=O)[O-] ZINC000585140571 468988934 /nfs/dbraw/zinc/98/89/34/468988934.db2.gz HDONHUJMFPVJMU-GFCCVEGCSA-N 0 0 328.328 2.216 40 5 EEBBRN COc1ccc(C(=O)N2CCC(c3nc(C)no3)CC2)cc1[N+](=O)[O-] ZINC000054664280 214248921 /nfs/dbraw/zinc/24/89/21/214248921.db2.gz YZHHEBYIGKUAHP-UHFFFAOYSA-N 0 0 346.343 2.315 40 5 EEBBRN COc1ccccc1CN(C)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000022456901 202085720 /nfs/dbraw/zinc/08/57/20/202085720.db2.gz LKWGNXKFJWWWPQ-UHFFFAOYSA-N 0 0 336.369 2.424 40 5 EEBBRN NC(=O)c1cn(C(=O)COc2ccccc2[N+](=O)[O-])c2ccccc12 ZINC000216935004 241225635 /nfs/dbraw/zinc/22/56/35/241225635.db2.gz FQMQJQKFFHYTKG-UHFFFAOYSA-N 0 0 339.307 2.368 40 5 EEBBRN CCC(=O)Nc1cc(N2CCN(C)CC2)c([N+](=O)[O-])cc1Cl ZINC000045891893 462628450 /nfs/dbraw/zinc/62/84/50/462628450.db2.gz ZIPRLUOSQYLSRS-UHFFFAOYSA-N 0 0 326.784 2.349 40 5 EEBBRN O=C(NN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1ccccc1Cl ZINC000007881739 462755632 /nfs/dbraw/zinc/75/56/32/462755632.db2.gz GULYAZOOLOPYGN-UHFFFAOYSA-N 0 0 345.698 2.189 40 5 EEBBRN Nn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1-c1ccccn1 ZINC000016756008 462989995 /nfs/dbraw/zinc/98/99/95/462989995.db2.gz BAFKYAYACRTXKJ-UHFFFAOYSA-N 0 0 328.357 2.254 40 5 EEBBRN COc1ccc(CNC(=O)Cc2ccccc2[N+](=O)[O-])cc1OC ZINC000017298766 462997892 /nfs/dbraw/zinc/99/78/92/462997892.db2.gz ZAKFMAYWVQHSTR-UHFFFAOYSA-N 0 0 330.340 2.471 40 5 EEBBRN Cc1nn(C)c(NCCCNC(=O)c2cccc(F)c2)c1[N+](=O)[O-] ZINC000078882509 463160079 /nfs/dbraw/zinc/16/00/79/463160079.db2.gz MIPYVAFGBJKHGM-UHFFFAOYSA-N 0 0 335.339 2.008 40 5 EEBBRN COC(=O)c1occc1Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000096430171 463258746 /nfs/dbraw/zinc/25/87/46/463258746.db2.gz ANNHGTHRLYEGMG-UHFFFAOYSA-N 0 0 328.284 2.281 40 5 EEBBRN CCNC(=O)[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000096503336 463292302 /nfs/dbraw/zinc/29/23/02/463292302.db2.gz VYBJYEJXHQEKPY-LLVKDONJSA-N 0 0 339.779 2.237 40 5 EEBBRN C[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)CN1C1CC1 ZINC000225536255 464169472 /nfs/dbraw/zinc/16/94/72/464169472.db2.gz AEVADVHLNVVUPE-WDEREUQCSA-N 0 0 339.417 2.035 40 5 EEBBRN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)[C@H]1CCCc2nn(C)cc21 ZINC000241132776 464450498 /nfs/dbraw/zinc/45/04/98/464450498.db2.gz JLOCOEJPBOMJHB-HNNXBMFYSA-N 0 0 342.399 2.449 40 5 EEBBRN O=C(Cn1cc([N+](=O)[O-])cn1)NCc1ccc(F)cc1C(F)(F)F ZINC000076368271 202387380 /nfs/dbraw/zinc/38/73/80/202387380.db2.gz NRAHDEDDTRPBBH-UHFFFAOYSA-N 0 0 346.240 2.266 40 5 EEBBRN O=[N+]([O-])c1cccc(N(C[C@H]2CO2)S(=O)(=O)c2ccccc2)c1 ZINC000000380641 205441819 /nfs/dbraw/zinc/44/18/19/205441819.db2.gz OMTUTHAJWNGTPL-AWEZNQCLSA-N 0 0 334.353 2.189 40 5 EEBBRN CCN1CCN(c2cc(NC(C)=O)c(Cl)cc2[N+](=O)[O-])CC1 ZINC000045891653 462628201 /nfs/dbraw/zinc/62/82/01/462628201.db2.gz KEQSBVGIBOENNQ-UHFFFAOYSA-N 0 0 326.784 2.349 40 5 EEBBRN O=C(NCc1ccccc1)[C@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1 ZINC000007927936 462757982 /nfs/dbraw/zinc/75/79/82/462757982.db2.gz ZMXNEECHAYVUSW-AWEZNQCLSA-N 0 0 339.351 2.264 40 5 EEBBRN O=C(NC1CC1)[C@@H]1CCCN1c1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000134894646 463092931 /nfs/dbraw/zinc/09/29/31/463092931.db2.gz ZJCXWWXGPOWLHX-HNNXBMFYSA-N 0 0 326.356 2.390 40 5 EEBBRN COc1ccc(-c2nc(Cc3noc([C@@H]4CC4[N+](=O)[O-])n3)co2)cc1 ZINC000078773967 463147806 /nfs/dbraw/zinc/14/78/06/463147806.db2.gz HFTRTKPQKPGEEC-CHWSQXEVSA-N 0 0 342.311 2.457 40 5 EEBBRN O=[N+]([O-])c1cnn(C[C@H](O)CSc2ccc3ccccc3n2)c1 ZINC000096435699 463263241 /nfs/dbraw/zinc/26/32/41/463263241.db2.gz PIJGJYAIAHCKDG-ZDUSSCGKSA-N 0 0 330.369 2.493 40 5 EEBBRN O=[N+]([O-])c1ccc(N[C@H]2CCN(Cc3nccn3C(F)F)C2)nc1 ZINC000096443418 463268384 /nfs/dbraw/zinc/26/83/84/463268384.db2.gz BUKVSJGHLBGBBP-JTQLQIEISA-N 0 0 338.318 2.268 40 5 EEBBRN Cc1nc(CNS(=O)(=O)c2cc(F)c(C)c([N+](=O)[O-])c2)oc1C ZINC000097097267 463322565 /nfs/dbraw/zinc/32/25/65/463322565.db2.gz DMHGLGZLUHNYPE-UHFFFAOYSA-N 0 0 343.336 2.126 40 5 EEBBRN Cc1nsc(N2CCN(Cc3csc([N+](=O)[O-])c3)CC2)n1 ZINC000081576930 463463425 /nfs/dbraw/zinc/46/34/25/463463425.db2.gz JLJKZBAQOKHEKJ-UHFFFAOYSA-N 0 0 325.419 2.138 40 5 EEBBRN CC(=O)N(C)c1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000223273360 464139363 /nfs/dbraw/zinc/13/93/63/464139363.db2.gz HBMUXFSPSBNVQT-UHFFFAOYSA-N 0 0 349.368 2.378 40 5 EEBBRN Nc1ncc(C(=O)N[C@H]2CCCOc3ccccc32)cc1[N+](=O)[O-] ZINC000585140576 468989192 /nfs/dbraw/zinc/98/91/92/468989192.db2.gz HDONHUJMFPVJMU-LBPRGKRZSA-N 0 0 328.328 2.216 40 5 EEBBRN NC1(N)ON(c2ccc(C=O)cc2)[C@@H](c2ccc([N+](=O)[O-])cc2)S1 ZINC000019319090 202004762 /nfs/dbraw/zinc/00/47/62/202004762.db2.gz JSFGPKQQYUFBJF-CQSZACIVSA-N 0 0 346.368 2.120 40 5 EEBBRN CC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000005663089 201657866 /nfs/dbraw/zinc/65/78/66/201657866.db2.gz PTSGTLCWRJMKFT-INIZCTEOSA-N 0 0 327.340 2.281 40 5 EEBBRN CCOC(=O)c1n[nH]cc1CN1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000093338311 203183881 /nfs/dbraw/zinc/18/38/81/203183881.db2.gz ATBLQOKLXNGMBE-UHFFFAOYSA-N 0 0 330.344 2.053 40 5 EEBBRN CNc1ccc(C(=O)N(CCC(=O)OC)CC(C)C)cc1[N+](=O)[O-] ZINC000047675291 204339490 /nfs/dbraw/zinc/33/94/90/204339490.db2.gz FYRPLLKVHQINSZ-UHFFFAOYSA-N 0 0 337.376 2.298 40 5 EEBBRN Cn1cc(N2CCC[C@@H](Sc3ccc([N+](=O)[O-])cn3)C2=O)cn1 ZINC000159646985 206255743 /nfs/dbraw/zinc/25/57/43/206255743.db2.gz ASTTVMWRIYFFLS-GFCCVEGCSA-N 0 0 333.373 2.011 40 5 EEBBRN CCCCn1cnc2c1nc(N)nc2Sc1c([N+](=O)[O-])ncn1C ZINC000001679431 462585166 /nfs/dbraw/zinc/58/51/66/462585166.db2.gz MPGCNJUSMWDEDV-UHFFFAOYSA-N 0 0 348.392 2.002 40 5 EEBBRN O=C(NC(=S)Nc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)OCO2 ZINC000006615319 462692999 /nfs/dbraw/zinc/69/29/99/462692999.db2.gz OTVIWYGIKNJZKP-UHFFFAOYSA-N 0 0 345.336 2.450 40 5 EEBBRN CCOc1ccc(CNS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000013675901 462899830 /nfs/dbraw/zinc/89/98/30/462899830.db2.gz MDGDBKBGQZESOT-UHFFFAOYSA-N 0 0 336.369 2.472 40 5 EEBBRN O=C(NC(=S)NNc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000014257560 462923151 /nfs/dbraw/zinc/92/31/51/462923151.db2.gz HJNATHDCLLYYFC-UHFFFAOYSA-N 0 0 334.332 2.365 40 5 EEBBRN O=C1NCCN1[C@H]1CCCN(c2ccc3cc([N+](=O)[O-])ccc3n2)C1 ZINC000079311219 463205054 /nfs/dbraw/zinc/20/50/54/463205054.db2.gz UMUSPXLOODYFKT-AWEZNQCLSA-N 0 0 341.371 2.137 40 5 EEBBRN CC(C)(NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1nccs1 ZINC000096443377 463268766 /nfs/dbraw/zinc/26/87/66/463268766.db2.gz GMZRSPPSRFNVHI-UHFFFAOYSA-N 0 0 346.412 2.465 40 5 EEBBRN CCc1nnc(SCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)o1 ZINC000006225958 236892686 /nfs/dbraw/zinc/89/26/86/236892686.db2.gz SQBFMUMVGGPDFS-UHFFFAOYSA-N 0 0 338.345 2.280 40 5 EEBBRN Cc1cc(C)n(-c2ccc(-c3noc([C@@H]4CC4[N+](=O)[O-])n3)cn2)n1 ZINC000078774655 202399507 /nfs/dbraw/zinc/39/95/07/202399507.db2.gz RUOBFMPUOJNROO-VXGBXAGGSA-N 0 0 326.316 2.067 40 5 EEBBRN O=[N+]([O-])c1ccc(CS(=O)(=O)N(Cc2ccccn2)C2CC2)cc1 ZINC000192854014 239913085 /nfs/dbraw/zinc/91/30/85/239913085.db2.gz UTXWISYTIDBHRZ-UHFFFAOYSA-N 0 0 347.396 2.484 40 5 EEBBRN Cc1ccc(C)c(S(=O)(=O)NCCc2cccnc2)c1[N+](=O)[O-] ZINC000195579892 241029667 /nfs/dbraw/zinc/02/96/67/241029667.db2.gz DBMDWNCVXIXHLN-UHFFFAOYSA-N 0 0 335.385 2.128 40 5 EEBBRN CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1ccc2c(c1)OCC(=O)N2 ZINC000046361728 204334971 /nfs/dbraw/zinc/33/49/71/204334971.db2.gz LKRCUXANMQINJM-UHFFFAOYSA-N 0 0 341.323 2.198 40 5 EEBBRN Cn1nc(C(=O)N(c2cccc([N+](=O)[O-])c2)C2CCCC2)ccc1=O ZINC000096412021 218767954 /nfs/dbraw/zinc/76/79/54/218767954.db2.gz FTRNKDXCIOWJIM-UHFFFAOYSA-N 0 0 342.355 2.278 40 5 EEBBRN CC(C)(C)NC(=O)[C@@H]1CSCN1C(=O)c1ccccc1[N+](=O)[O-] ZINC000068111926 278367916 /nfs/dbraw/zinc/36/79/16/278367916.db2.gz LAGHUHQWKKVNHD-LBPRGKRZSA-N 0 0 337.401 2.025 40 5 EEBBRN Cc1ccc(C(=O)NCC(=O)OCc2ccccc2[N+](=O)[O-])cc1 ZINC000006478774 462687174 /nfs/dbraw/zinc/68/71/74/462687174.db2.gz JCCXKFXXPWZIPC-UHFFFAOYSA-N 0 0 328.324 2.376 40 5 EEBBRN Cc1ccc(NCCCNC(=O)C2CCC(O)CC2)c([N+](=O)[O-])c1 ZINC000194341914 463841587 /nfs/dbraw/zinc/84/15/87/463841587.db2.gz WUDAWJWDYIJTGV-UHFFFAOYSA-N 0 0 335.404 2.373 40 5 EEBBRN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCN(CCOC(C)C)CC1 ZINC000074389827 202373408 /nfs/dbraw/zinc/37/34/08/202373408.db2.gz RXDUFUVJNHOYHU-UHFFFAOYSA-N 0 0 335.404 2.086 40 5 EEBBRN O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(c2cccc(F)n2)CC1 ZINC000077229448 202391076 /nfs/dbraw/zinc/39/10/76/202391076.db2.gz GWVNJHOZPKVNJB-UHFFFAOYSA-N 0 0 330.319 2.091 40 5 EEBBRN CCc1c(C(=O)Cn2cccc([N+](=O)[O-])c2=O)[nH]c(C)c1C(C)=O ZINC000078979181 202412744 /nfs/dbraw/zinc/41/27/44/202412744.db2.gz XIEPHUULKMBDNQ-UHFFFAOYSA-N 0 0 331.328 2.041 40 5 EEBBRN CCOC(=O)[C@H]1CCCN1C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000185711577 201039156 /nfs/dbraw/zinc/03/91/56/201039156.db2.gz ONFZRCDBOMMMLA-CQSZACIVSA-N 0 0 331.328 2.244 40 5 EEBBRN CCn1cc([N+](=O)[O-])c(C(=O)N2CCN(C3CC3)c3ccccc32)n1 ZINC000225429865 241857923 /nfs/dbraw/zinc/85/79/23/241857923.db2.gz AIHPSXYJCNCHQR-UHFFFAOYSA-N 0 0 341.371 2.440 40 5 EEBBRN COc1ccc([N+](=O)[O-])cc1N1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000003111310 462611520 /nfs/dbraw/zinc/61/15/20/462611520.db2.gz CZQHQIHIEZJLOT-UHFFFAOYSA-N 0 0 343.251 2.312 40 5 EEBBRN O=[N+]([O-])c1ccccc1CN1C[C@H](O)C[C@H]1c1nc(C2CC2)no1 ZINC000015674813 462960403 /nfs/dbraw/zinc/96/04/03/462960403.db2.gz XZCHHULKVXZSTB-OCCSQVGLSA-N 0 0 330.344 2.163 40 5 biogenic,in-vitro EEBBRN COc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](O)c2ccccc2C)c1 ZINC000079028479 463180626 /nfs/dbraw/zinc/18/06/26/463180626.db2.gz QEWCMTCPZBHLGW-MRXNPFEDSA-N 0 0 330.340 2.375 40 5 EEBBRN CCc1nc2c(s1)[C@@H](N(C)C(=O)c1nn(C)cc1[N+](=O)[O-])CCC2 ZINC000253425820 465010026 /nfs/dbraw/zinc/01/00/26/465010026.db2.gz RDKMYDYXUFOYOZ-JTQLQIEISA-N 0 0 349.416 2.497 40 5 EEBBRN COC(=O)[C@H](C)N1C(=O)S/C(=C/c2cccc([N+](=O)[O-])c2)C1=O ZINC000409100289 466685585 /nfs/dbraw/zinc/68/55/85/466685585.db2.gz UDZKQYSFJHQNTH-LBTPYSACSA-N 0 0 336.325 2.193 40 5 EEBBRN CCOc1cc(Cn2nnc3ccccc3c2=O)ccc1[N+](=O)[O-] ZINC000390835705 467415185 /nfs/dbraw/zinc/41/51/85/467415185.db2.gz VLIXILZJFKORME-UHFFFAOYSA-N 0 0 326.312 2.147 40 5 EEBBRN C[C@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)[C@H](O)c1ccccc1 ZINC000006850975 201702407 /nfs/dbraw/zinc/70/24/07/201702407.db2.gz FLJIOUDJQYTYIL-BONVTDFDSA-N 0 0 345.311 2.355 40 5 EEBBRN COc1cc(OCC(=O)Nc2ccc3c(c2)OCO3)ccc1[N+](=O)[O-] ZINC000022259382 202082365 /nfs/dbraw/zinc/08/23/65/202082365.db2.gz QOURERONVZROAK-UHFFFAOYSA-N 0 0 346.295 2.350 40 5 EEBBRN Cc1cc([N+](=O)[O-])cc(Br)c1N1CCC[C@H](C(N)=O)C1 ZINC000226755536 205151897 /nfs/dbraw/zinc/15/18/97/205151897.db2.gz CDZFKCGBLFWVLR-VIFPVBQESA-N 0 0 342.193 2.367 40 5 EEBBRN O=Cc1ccc(C(=O)Nc2ccc(N3CCOCC3)c([N+](=O)[O-])c2)o1 ZINC000016385504 285032329 /nfs/dbraw/zinc/03/23/29/285032329.db2.gz ZZHNHZZZKCNXTM-UHFFFAOYSA-N 0 0 345.311 2.089 40 5 EEBBRN NS(=O)(=O)c1cccc(N2CCC[C@H]2c2ccco2)c1[N+](=O)[O-] ZINC000097376202 303444178 /nfs/dbraw/zinc/44/41/78/303444178.db2.gz OPQOURSTRIEHQC-JTQLQIEISA-N 0 0 337.357 2.177 40 5 EEBBRN O=C(c1ccccc1-n1ccnn1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000195559558 323514022 /nfs/dbraw/zinc/51/40/22/323514022.db2.gz OPBBKTRRSHIIMG-UHFFFAOYSA-N 0 0 349.350 2.374 40 5 EEBBRN COCCNC(=S)NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000007526227 462739019 /nfs/dbraw/zinc/73/90/19/462739019.db2.gz UKOMYWUACWDKQW-UHFFFAOYSA-N 0 0 338.311 2.051 40 5 EEBBRN Cc1cc(NC(=O)[C@H]2CC(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C2)no1 ZINC000007928520 462758064 /nfs/dbraw/zinc/75/80/64/462758064.db2.gz REZXVADFUKGSNE-NSHDSACASA-N 0 0 344.327 2.191 40 5 EEBBRN O=C(Nc1ccc(OCc2ccccn2)c(F)c1)[C@H]1CC1[N+](=O)[O-] ZINC000096445205 463269949 /nfs/dbraw/zinc/26/99/49/463269949.db2.gz WUHBNHFIGNRSNU-GXTWGEPZSA-N 0 0 331.303 2.403 40 5 EEBBRN COC(=O)c1cc(Oc2nc(C)nc3c2cnn3C)ccc1[N+](=O)[O-] ZINC000069800236 463327724 /nfs/dbraw/zinc/32/77/24/463327724.db2.gz VZYRETCRTGXHEZ-UHFFFAOYSA-N 0 0 343.299 2.159 40 5 EEBBRN Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CCc2nnc(C(C)C)n2C1 ZINC000194514033 463876220 /nfs/dbraw/zinc/87/62/20/463876220.db2.gz YHFDWVHWAGMHPA-LBPRGKRZSA-N 0 0 343.387 2.363 40 5 EEBBRN C[C@@H](N[C@H](C)c1ccc([N+](=O)[O-])cc1Cl)C(=O)N1CCOCC1 ZINC000195558133 464076164 /nfs/dbraw/zinc/07/61/64/464076164.db2.gz KROFYSSXKJDCMB-GHMZBOCLSA-N 0 0 341.795 2.146 40 5 EEBBRN Cc1cc2[nH]c(=O)oc2cc1S(=O)(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000223320180 464141199 /nfs/dbraw/zinc/14/11/99/464141199.db2.gz NQGFSWBFWBCEJL-UHFFFAOYSA-N 0 0 349.324 2.139 40 5 EEBBRN Cc1cc([N+](=O)[O-])cnc1N1CC[C@@H](Oc2cccnc2N(C)C)C1 ZINC000253426807 465011572 /nfs/dbraw/zinc/01/15/72/465011572.db2.gz XRSBMKHOQIPJDL-CQSZACIVSA-N 0 0 343.387 2.417 40 5 EEBBRN Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CCc2nnc(C(C)C)n2C1 ZINC000194514020 240612773 /nfs/dbraw/zinc/61/27/73/240612773.db2.gz YHFDWVHWAGMHPA-GFCCVEGCSA-N 0 0 343.387 2.363 40 5 EEBBRN O=C(NCC[S@](=O)c1ccccc1)c1cc(F)ccc1[N+](=O)[O-] ZINC000078914690 217147162 /nfs/dbraw/zinc/14/71/62/217147162.db2.gz VEYIHRICAAVNKG-HSZRJFAPSA-N 0 0 336.344 2.272 40 5 EEBBRN CCO[C@@H]1C[C@H](NC(=O)CCn2cc([N+](=O)[O-])cn2)C12CCCC2 ZINC000096432504 218807764 /nfs/dbraw/zinc/80/77/64/218807764.db2.gz RUWHUXDGHHVKAI-UONOGXRCSA-N 0 0 336.392 2.035 40 5 EEBBRN Nc1ccc(C(=O)N2CCOC[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000096433028 218808357 /nfs/dbraw/zinc/80/83/57/218808357.db2.gz AKDYXXOLRYTSRJ-INIZCTEOSA-N 0 0 327.340 2.391 40 5 EEBBRN CC(=O)Nc1ccc(S(=O)(=O)N2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000226305776 277081153 /nfs/dbraw/zinc/08/11/53/277081153.db2.gz VSVNZPAQAMKNIN-SNVBAGLBSA-N 0 0 341.389 2.116 40 5 EEBBRN CC(C)NC(=O)C1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000087232926 462596769 /nfs/dbraw/zinc/59/67/69/462596769.db2.gz XDAYQJFBIMFEQX-UHFFFAOYSA-N 0 0 347.415 2.291 40 5 EEBBRN CN(C)CCN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000063864373 462679316 /nfs/dbraw/zinc/67/93/16/462679316.db2.gz CJZCHCHDUNVAHP-UHFFFAOYSA-N 0 0 349.412 2.352 40 5 EEBBRN Cc1ccc(N2C[C@H](C(=O)NCc3ccco3)CC2=O)cc1[N+](=O)[O-] ZINC000007928497 462758217 /nfs/dbraw/zinc/75/82/17/462758217.db2.gz AWDAFEHTAKYALF-GFCCVEGCSA-N 0 0 343.339 2.166 40 5 EEBBRN Cc1[nH]nc2ncc(C(=O)NCCNc3ccccc3[N+](=O)[O-])cc12 ZINC000047403763 462777402 /nfs/dbraw/zinc/77/74/02/462777402.db2.gz YNAOMPROGCZZQZ-UHFFFAOYSA-N 0 0 340.343 2.016 40 5 EEBBRN O=C(CCn1cc([N+](=O)[O-])cn1)N1CCSC2(CCCCC2)C1 ZINC000096456609 463276800 /nfs/dbraw/zinc/27/68/00/463276800.db2.gz YRLOMASKGJYGMC-UHFFFAOYSA-N 0 0 338.433 2.460 40 5 EEBBRN CC(C)Cn1ccc2nc3ccn(-c4cc[nH]n4)c(=O)c3cc2c1=O ZINC000040399041 213297619 /nfs/dbraw/zinc/29/76/19/213297619.db2.gz JZTCRWBLECLNHP-UHFFFAOYSA-N 0 0 335.367 2.080 40 5 EEBBRN CN(c1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c1)S(C)(=O)=O ZINC000409123113 257877598 /nfs/dbraw/zinc/87/75/98/257877598.db2.gz DWNMLZOEVWJSSD-UHFFFAOYSA-N 0 0 349.368 2.243 40 5 EEBBRN COc1ccc(C(=O)NC(=S)Nc2ccccn2)cc1[N+](=O)[O-] ZINC000005586717 462663720 /nfs/dbraw/zinc/66/37/20/462663720.db2.gz DYDOTWJIKAZFAS-UHFFFAOYSA-N 0 0 332.341 2.125 40 5 EEBBRN CCCCOC(=O)c1cc([N+](=O)[O-])c(NN(C)C)c([N+](=O)[O-])c1 ZINC000005712891 462667415 /nfs/dbraw/zinc/66/74/15/462667415.db2.gz YOGVFNVYSQQXFS-UHFFFAOYSA-N 0 0 326.309 2.348 40 5 EEBBRN CNC(=O)[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000096427359 463257127 /nfs/dbraw/zinc/25/71/27/463257127.db2.gz FTROQNRSIJFHNF-VIFPVBQESA-N 0 0 342.193 2.320 40 5 EEBBRN CC(C)c1cc(C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)[nH]n1 ZINC000044884576 463697812 /nfs/dbraw/zinc/69/78/12/463697812.db2.gz BBOXHFQJZQSGIS-UHFFFAOYSA-N 0 0 343.387 2.404 40 5 EEBBRN Cc1ccnc([C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2N)C2CC2)n1 ZINC000195566552 464079081 /nfs/dbraw/zinc/07/90/81/464079081.db2.gz ICWVHRIUTAASDK-AWEZNQCLSA-N 0 0 327.344 2.157 40 5 EEBBRN Cc1ncc(C(=O)NCCNc2ccc([N+](=O)[O-])cc2)c(C2CC2)n1 ZINC000225603090 464175326 /nfs/dbraw/zinc/17/53/26/464175326.db2.gz BPWPKCVLMLNVQU-UHFFFAOYSA-N 0 0 341.371 2.413 40 5 EEBBRN CCn1nc(C)c([N+](=O)[O-])c1N1CCN(C(C)=O)C2(CCCCC2)C1 ZINC000253428436 465012247 /nfs/dbraw/zinc/01/22/47/465012247.db2.gz DDTFCBAOYGWREE-UHFFFAOYSA-N 0 0 349.435 2.491 40 5 EEBBRN CN(C(=O)c1ccc([N+](=O)[O-])cc1)[C@@](C)(C(N)=O)c1ccccc1 ZINC000003850916 210080376 /nfs/dbraw/zinc/08/03/76/210080376.db2.gz LHJZAGPOIOUKLK-QGZVFWFLSA-N 0 0 327.340 2.068 40 5 EEBBRN O=[N+]([O-])c1ccc(NCCO)c(NCc2noc(-c3ccoc3)n2)c1 ZINC000096461373 237062663 /nfs/dbraw/zinc/06/26/63/237062663.db2.gz HELREAKVEYZMMQ-UHFFFAOYSA-N 0 0 345.315 2.254 40 5 EEBBRN Cc1nn(C)c(N[C@H]2CCN(C(=O)OC(C)(C)C)C2)c1[N+](=O)[O-] ZINC000078882587 217138677 /nfs/dbraw/zinc/13/86/77/217138677.db2.gz OUMRHZZTODYNLS-JTQLQIEISA-N 0 0 325.369 2.058 40 5 EEBBRN CN(Cc1csc([N+](=O)[O-])c1)[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000081097836 217361824 /nfs/dbraw/zinc/36/18/24/217361824.db2.gz LQHCYTYGYFFYIP-RYUDHWBXSA-N 0 0 332.447 2.444 40 5 EEBBRN Cn1cnnc1SCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000004903336 210317228 /nfs/dbraw/zinc/31/72/28/210317228.db2.gz NSNITKKCFGWOJK-UHFFFAOYSA-N 0 0 327.753 2.108 40 5 EEBBRN Cc1ccc(NC(=O)COC(=O)c2ccccc2N)cc1[N+](=O)[O-] ZINC000006755381 462703435 /nfs/dbraw/zinc/70/34/35/462703435.db2.gz UXLMWJDDVFCMON-UHFFFAOYSA-N 0 0 329.312 2.281 40 5 EEBBRN CCOc1cccc(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000030857858 463313643 /nfs/dbraw/zinc/31/36/43/463313643.db2.gz JWMYYHJEIGEQPS-UHFFFAOYSA-N 0 0 336.369 2.472 40 5 EEBBRN O=[N+]([O-])c1cc(CS(=O)(=O)c2ccccc2)c2c(c1)COCO2 ZINC000192459943 464929343 /nfs/dbraw/zinc/92/93/43/464929343.db2.gz LOGKTVUCHMBAQW-UHFFFAOYSA-N 0 0 335.337 2.435 40 5 EEBBRN O=C(CCc1cccc([N+](=O)[O-])c1)N[C@@H]1CCCC2(C1)OCCO2 ZINC000253426443 465011122 /nfs/dbraw/zinc/01/11/22/465011122.db2.gz PYXKZYJSYAHLLW-CQSZACIVSA-N 0 0 334.372 2.329 40 5 EEBBRN CO[C@H](c1ccc(F)cc1)[C@@H](C)NC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000390834246 467414512 /nfs/dbraw/zinc/41/45/12/467414512.db2.gz VCXTVJDUNHYNDO-BMIGLBTASA-N 0 0 348.334 2.449 40 5 EEBBRN Cc1nnc(NC(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)s1 ZINC000047938764 213875726 /nfs/dbraw/zinc/87/57/26/213875726.db2.gz JVQKEFIMOJQBBF-UHFFFAOYSA-N 0 0 348.388 2.109 40 5 EEBBRN CS(=O)(=O)CCCOc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000096422219 218788739 /nfs/dbraw/zinc/78/87/39/218788739.db2.gz QZEVBIVTBKQABV-UHFFFAOYSA-N 0 0 327.280 2.427 40 5 EEBBRN Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000096462891 218845263 /nfs/dbraw/zinc/84/52/63/218845263.db2.gz PUZZXIRUFPRUPT-SECBINFHSA-N 0 0 334.351 2.445 40 5 EEBBRN COCCCn1ccc2nc3ccn(C(C)C)c(=O)c3cc2c1=O ZINC000038829413 292384925 /nfs/dbraw/zinc/38/49/25/292384925.db2.gz INDDIJVLDLCIAS-UHFFFAOYSA-N 0 0 327.384 2.329 40 5 EEBBRN O=C(Cn1ccc([N+](=O)[O-])n1)N(Cc1ccsc1)c1cccnc1 ZINC000171352644 227035607 /nfs/dbraw/zinc/03/56/07/227035607.db2.gz LSEVVUNDAHVJFP-UHFFFAOYSA-N 0 0 343.368 2.481 40 5 EEBBRN COc1cccc(NC(=O)c2[nH]nc([N+](=O)[O-])c2Br)c1 ZINC000000113865 462543123 /nfs/dbraw/zinc/54/31/23/462543123.db2.gz JQRYAIRCYZZBDC-UHFFFAOYSA-N 0 0 341.121 2.341 40 5 EEBBRN Cc1nsc(N2CCN(C(=O)c3cc([N+](=O)[O-])ccc3C)CC2)n1 ZINC000074023264 462543946 /nfs/dbraw/zinc/54/39/46/462543946.db2.gz JZLRJEHROZEALE-UHFFFAOYSA-N 0 0 347.400 2.026 40 5 EEBBRN Cc1cc(=O)[nH]c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C)n1 ZINC000009143561 462798405 /nfs/dbraw/zinc/79/84/05/462798405.db2.gz QWENPLZCDWWOMH-UHFFFAOYSA-N 0 0 334.357 2.026 40 5 EEBBRN COc1ccc([C@H](N)c2nc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)cc1 ZINC000095533668 463106899 /nfs/dbraw/zinc/10/68/99/463106899.db2.gz BZVHPZOOFQHRAF-AWEZNQCLSA-N 0 0 325.328 2.437 40 5 EEBBRN COc1ccc([C@@H](N)c2nc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)cc1 ZINC000095533669 463107686 /nfs/dbraw/zinc/10/76/86/463107686.db2.gz BZVHPZOOFQHRAF-CQSZACIVSA-N 0 0 325.328 2.437 40 5 EEBBRN Cc1ncc([N+](=O)[O-])cc1C(=O)OCCc1c[nH]nc1C(F)(F)F ZINC000096404487 463239615 /nfs/dbraw/zinc/23/96/15/463239615.db2.gz WNRINVRHDZKRFV-UHFFFAOYSA-N 0 0 344.249 2.440 40 5 EEBBRN CCOC(=O)CN1C(=O)S/C(=C/c2cccc([N+](=O)[O-])c2)C1=O ZINC000205688891 464097683 /nfs/dbraw/zinc/09/76/83/464097683.db2.gz ZGBCAURKAZIOGO-YRNVUSSQSA-N 0 0 336.325 2.194 40 5 EEBBRN CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000132290369 530035526 /nfs/dbraw/zinc/03/55/26/530035526.db2.gz YXWQYDPBRFXDBU-UHFFFAOYSA-N 0 0 337.313 2.328 40 5 EEBBRN C[C@H](OC(=O)[C@H]1CC(=O)N(CC2CC2)C1)c1ccccc1[N+](=O)[O-] ZINC000078442468 217053245 /nfs/dbraw/zinc/05/32/45/217053245.db2.gz WSINKBKLEPENPJ-AAEUAGOBSA-N 0 0 332.356 2.458 40 5 EEBBRN CN(C)C(=O)N1CCC(C(=O)Nc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000078551842 217074180 /nfs/dbraw/zinc/07/41/80/217074180.db2.gz RVGJWPPWUNCBQP-UHFFFAOYSA-N 0 0 338.339 2.066 40 5 EEBBRN COC[C@@H]1CCCN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000157453132 277251542 /nfs/dbraw/zinc/25/15/42/277251542.db2.gz NYHUCYWKKRURPC-CYBMUJFWSA-N 0 0 344.371 2.279 40 5 EEBBRN COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]2C1=O)C31CC1 ZINC000004305313 277840516 /nfs/dbraw/zinc/84/05/16/277840516.db2.gz JBCAMKLHDOHEPK-HGSJOUDDSA-N 0 0 340.335 2.305 40 5 EEBBRN COc1cccc(CN(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000007214756 462725621 /nfs/dbraw/zinc/72/56/21/462725621.db2.gz FXLWPFBMYLIFNT-UHFFFAOYSA-N 0 0 336.369 2.424 40 5 EEBBRN O=C(NCC1CCOCC1)[C@@H]1CCCN1c1ccccc1[N+](=O)[O-] ZINC000239667824 464444031 /nfs/dbraw/zinc/44/40/31/464444031.db2.gz BRNUDVTVCSJYSI-INIZCTEOSA-N 0 0 333.388 2.106 40 5 EEBBRN CN1C[C@H](c2ccc(F)cc2)C([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12 ZINC000408567700 466680861 /nfs/dbraw/zinc/68/08/61/466680861.db2.gz QYYWYOLSMLAVAH-RPVQJOFSSA-N 0 0 341.342 2.348 40 5 EEBBRN CCNC(=O)c1cc(OC)c(OCc2cscn2)cc1[N+](=O)[O-] ZINC000056391991 214373366 /nfs/dbraw/zinc/37/33/66/214373366.db2.gz OGDOISPJCIMIKT-UHFFFAOYSA-N 0 0 337.357 2.389 40 5 EEBBRN CCCC(=O)N1CSC[C@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000066274208 215030257 /nfs/dbraw/zinc/03/02/57/215030257.db2.gz BCVOCHMJNUKJNP-LBPRGKRZSA-N 0 0 341.364 2.374 40 5 EEBBRN O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N1CCC[C@H]1CO ZINC000078647963 217094455 /nfs/dbraw/zinc/09/44/55/217094455.db2.gz HDEICZDKEKMVKN-VIFPVBQESA-N 0 0 331.275 2.185 40 5 EEBBRN COc1cc(N2CCC[C@@H]2C(=O)NCc2ccco2)ccc1[N+](=O)[O-] ZINC000134899899 532954234 /nfs/dbraw/zinc/95/42/34/532954234.db2.gz VRIVVANEBTZONJ-OAHLLOKOSA-N 0 0 345.355 2.482 40 5 EEBBRN COc1cc(N2CCN(C(=O)[C@@H]3C[C@@H]3C)CC2)c([N+](=O)[O-])cc1F ZINC000096466630 277825438 /nfs/dbraw/zinc/82/54/38/277825438.db2.gz SXSLCXRSVMRBEV-WDEREUQCSA-N 0 0 337.351 2.047 40 5 EEBBRN CC(=O)[C@H]1[C@@H](c2ccc([N+](=O)[O-])cc2)c2c(C)n[nH]c2C[C@]1(C)O ZINC000004172058 278237733 /nfs/dbraw/zinc/23/77/33/278237733.db2.gz KLUFAIXBSGETEP-QAETUUGQSA-N 0 0 329.356 2.485 40 5 EEBBRN C[C@H]1CC[C@]2(CCN(c3cccc(S(N)(=O)=O)c3[N+](=O)[O-])C2)C1 ZINC000097376211 323322339 /nfs/dbraw/zinc/32/23/39/323322339.db2.gz INNZNWVRLJINNG-NHYWBVRUSA-N 0 0 339.417 2.259 40 5 EEBBRN Cc1ccc(S(=O)(=O)CNC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000001472278 462583333 /nfs/dbraw/zinc/58/33/33/462583333.db2.gz ZFVAGMJAXVRJLD-UHFFFAOYSA-N 0 0 334.353 2.064 40 5 EEBBRN Cc1ccc(NC(=O)CN2C(=O)c3ccccc3C2=O)c([N+](=O)[O-])c1 ZINC000005745033 462668254 /nfs/dbraw/zinc/66/82/54/462668254.db2.gz MPFJVEWCMITTKO-UHFFFAOYSA-N 0 0 339.307 2.138 40 5 EEBBRN CC(=O)N1CC[C@]2(C1)CCCN(C(=O)c1ccc(C)c([N+](=O)[O-])c1)C2 ZINC000096268673 463231567 /nfs/dbraw/zinc/23/15/67/463231567.db2.gz KWYYMUKWHHWHCP-SFHVURJKSA-N 0 0 345.399 2.378 40 5 EEBBRN Cc1ccc(NCCCNC(=O)c2ccc(C)[nH]c2=O)c([N+](=O)[O-])c1 ZINC000096416809 463249647 /nfs/dbraw/zinc/24/96/47/463249647.db2.gz PKKGHRRHPSQDGA-UHFFFAOYSA-N 0 0 344.371 2.132 40 5 EEBBRN O=[N+]([O-])c1cccc(CS(=O)(=O)NCCOc2ccccc2)c1 ZINC000151289898 463508402 /nfs/dbraw/zinc/50/84/02/463508402.db2.gz QYJUDHXVDXRAKG-UHFFFAOYSA-N 0 0 336.369 2.093 40 5 EEBBRN CCc1nn(C)c(N2CC[C@H](OCc3ccncc3)C2)c1[N+](=O)[O-] ZINC000192905107 465014937 /nfs/dbraw/zinc/01/49/37/465014937.db2.gz HBRZYUFMXYYPRP-ZDUSSCGKSA-N 0 0 331.376 2.081 40 5 EEBBRN Cc1ccc([C@H]2CSCCN2C(=O)c2[nH]nc(C)c2[N+](=O)[O-])o1 ZINC000081346863 217386499 /nfs/dbraw/zinc/38/64/99/217386499.db2.gz XAJDSQCAWSBIRC-SNVBAGLBSA-N 0 0 336.373 2.458 40 5 EEBBRN Cc1ccc(OCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000010544249 211179571 /nfs/dbraw/zinc/17/95/71/211179571.db2.gz IKSXOSPZZPCBAT-UHFFFAOYSA-N 0 0 336.369 2.261 40 5 EEBBRN CS[C@@H]1c2c(cc(=O)[nH]c2-c2ccc([N+](=O)[O-])cc2)C(=O)N1C ZINC000062716535 462623947 /nfs/dbraw/zinc/62/39/47/462623947.db2.gz LXQUHFVSENAMAT-OAHLLOKOSA-N 0 0 331.353 2.397 40 5 EEBBRN Cc1cc(NCCN2CCCS2(=O)=O)c(Cl)cc1[N+](=O)[O-] ZINC000096446520 463271157 /nfs/dbraw/zinc/27/11/57/463271157.db2.gz CTTAIFMLWJTWSR-UHFFFAOYSA-N 0 0 333.797 2.004 40 5 EEBBRN CCS(=O)(=O)C(Cl)(Cl)[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000096519657 463294210 /nfs/dbraw/zinc/29/42/10/463294210.db2.gz XHKUZDVOFFQADS-VIFPVBQESA-N 0 0 328.173 2.194 40 5 EEBBRN CCCc1n[nH]cc1C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000097097058 463322480 /nfs/dbraw/zinc/32/24/80/463322480.db2.gz JQXRVANQWMGXDM-UHFFFAOYSA-N 0 0 343.387 2.233 40 5 EEBBRN Cc1cc(C[C@H](C)Nc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)n[nH]1 ZINC000225536482 464169443 /nfs/dbraw/zinc/16/94/43/464169443.db2.gz CZCAQMIHPCPSJA-VIFPVBQESA-N 0 0 338.389 2.073 40 5 EEBBRN COC(=O)COc1c(F)cc(Br)c(F)c1[N+](=O)[O-] ZINC000200972770 1179380600 /nfs/dbraw/zinc/38/06/00/1179380600.db2.gz AQUVYPQSMDKXHB-UHFFFAOYSA-N 0 0 326.049 2.187 40 5 EEBBRN COc1cc(OCC(=O)NCc2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC000066014219 215002814 /nfs/dbraw/zinc/00/28/14/215002814.db2.gz FPWZXUBRIVYCHD-UHFFFAOYSA-N 0 0 334.303 2.438 40 5 EEBBRN CCCOC(=O)C1C(C)=NC(=S)N[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000003844156 210079158 /nfs/dbraw/zinc/07/91/58/210079158.db2.gz UOTWMSYUTOLDQK-ZDUSSCGKSA-N 0 0 335.385 2.341 40 5 EEBBRN C[C@H](NC(=O)c1ccccc1[N+](=O)[O-])c1ccc2c(c1)NC(=O)CO2 ZINC000040505536 213325412 /nfs/dbraw/zinc/32/54/12/213325412.db2.gz OIODZDLJMJGFIJ-JTQLQIEISA-N 0 0 341.323 2.417 40 5 EEBBRN O=C(NCCc1cccc([N+](=O)[O-])c1)c1[nH]nnc1-c1ccccc1 ZINC000241923315 243005097 /nfs/dbraw/zinc/00/50/97/243005097.db2.gz UEYBGAOBJZHLJP-UHFFFAOYSA-N 0 0 337.339 2.352 40 5 EEBBRN CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000078876049 217136558 /nfs/dbraw/zinc/13/65/58/217136558.db2.gz PJSZRZBRJCGPIT-RKDXNWHRSA-N 0 0 340.357 2.040 40 5 EEBBRN COc1ccccc1CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000016093443 211884027 /nfs/dbraw/zinc/88/40/27/211884027.db2.gz WCYJSVJUVCCZRP-UHFFFAOYSA-N 0 0 336.369 2.390 40 5 EEBBRN Cc1n[nH]c(C(=O)NC[C@H](C)Oc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000096431975 218806886 /nfs/dbraw/zinc/80/68/86/218806886.db2.gz DJSYZFZUQJCOAY-QMMMGPOBSA-N 0 0 338.751 2.477 40 5 EEBBRN C[C@@H]1CC[C@]2(CCN(c3cccc(S(N)(=O)=O)c3[N+](=O)[O-])C2)C1 ZINC000097376210 323322261 /nfs/dbraw/zinc/32/22/61/323322261.db2.gz INNZNWVRLJINNG-ABAIWWIYSA-N 0 0 339.417 2.259 40 5 EEBBRN Cc1ccc(S(=O)(=O)NN[C@@H](c2ccccc2)[C@@H](C)[N+](=O)[O-])cc1 ZINC000001715501 462586692 /nfs/dbraw/zinc/58/66/92/462586692.db2.gz MAYREBQJXUNLBK-CZUORRHYSA-N 0 0 349.412 2.184 40 5 EEBBRN COc1ccc(OC)c2[nH]c(Sc3c([N+](=O)[O-])ncn3C)nc21 ZINC000013216968 462888221 /nfs/dbraw/zinc/88/82/21/462888221.db2.gz RBPSRRJYVLSVAH-UHFFFAOYSA-N 0 0 335.345 2.373 40 5 EEBBRN COc1ccc(-c2nc([C@@H](N)c3ccccc3)n[nH]2)cc1[N+](=O)[O-] ZINC000095533481 463106631 /nfs/dbraw/zinc/10/66/31/463106631.db2.gz QYBUUADDSZTZPU-AWEZNQCLSA-N 0 0 325.328 2.437 40 5 EEBBRN Cc1ccc([C@@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3N)CCO2)o1 ZINC000188556341 464310737 /nfs/dbraw/zinc/31/07/37/464310737.db2.gz DVAWZTUNFREGTB-HNNXBMFYSA-N 0 0 331.328 2.292 40 5 EEBBRN C[C@]12C=C[C@](C)(O1)[C@@H]1C(=O)N(c3cc([N+](=O)[O-])ccc3Cl)C(=O)[C@@H]12 ZINC000104572102 291435365 /nfs/dbraw/zinc/43/53/65/291435365.db2.gz DFYDYSYNJFIXSK-HMEQZMJYSA-N 0 0 348.742 2.471 40 5 EEBBRN CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@H]1CCCN(C(=O)OC)C1 ZINC000078498701 217063315 /nfs/dbraw/zinc/06/33/15/217063315.db2.gz SXULCCHQHZDVCL-AWEZNQCLSA-N 0 0 349.387 2.422 40 5 EEBBRN CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)[C@H]1CC1[N+](=O)[O-] ZINC000078876047 217136334 /nfs/dbraw/zinc/13/63/34/217136334.db2.gz PJSZRZBRJCGPIT-IUCAKERBSA-N 0 0 340.357 2.040 40 5 EEBBRN CC(C)(NC(=O)c1ccc2nncn2c1)c1ccc([N+](=O)[O-])cc1 ZINC000079754093 217252846 /nfs/dbraw/zinc/25/28/46/217252846.db2.gz SBJRXZLAZFWSFO-UHFFFAOYSA-N 0 0 325.328 2.303 40 5 EEBBRN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCS[C@H](C)CC1 ZINC000192163775 291997367 /nfs/dbraw/zinc/99/73/67/291997367.db2.gz GBZPAYUSSZKMQR-LLVKDONJSA-N 0 0 330.431 2.419 40 5 EEBBRN O=C(COC(=O)c1ccccc1[N+](=O)[O-])Nc1cccc([N+](=O)[O-])c1 ZINC000003502676 462621184 /nfs/dbraw/zinc/62/11/84/462621184.db2.gz BYDDQKQDUWADTP-UHFFFAOYSA-N 0 0 345.267 2.299 40 5 EEBBRN NS(=O)(=O)c1ccccc1NSc1ccccc1[N+](=O)[O-] ZINC000006863805 462709605 /nfs/dbraw/zinc/70/96/05/462709605.db2.gz UEJQZRZJIMKHHJ-UHFFFAOYSA-N 0 0 325.371 2.361 40 5 EEBBRN O=C(NCc1nnc2n1CCC2)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000043331405 463636274 /nfs/dbraw/zinc/63/62/74/463636274.db2.gz ZNBIDSLRGOPHEU-UHFFFAOYSA-N 0 0 336.739 2.108 40 5 EEBBRN Cc1ccc([C@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3N)CCO2)o1 ZINC000188556364 464310151 /nfs/dbraw/zinc/31/01/51/464310151.db2.gz DVAWZTUNFREGTB-OAHLLOKOSA-N 0 0 331.328 2.292 40 5 EEBBRN CCN1CCCC[C@H]1CNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000195576728 241022791 /nfs/dbraw/zinc/02/27/91/241022791.db2.gz AXGHZGPRXKPCAR-ZDUSSCGKSA-N 0 0 341.433 2.285 40 5 EEBBRN CC(C)(C)S(=O)(=O)CCNC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000079051992 217183354 /nfs/dbraw/zinc/18/33/54/217183354.db2.gz BULKXOFZRUVVEP-UHFFFAOYSA-N 0 0 348.808 2.191 40 5 EEBBRN Cc1cc([C@H]2CCCCCN2C(=O)c2nn(C)cc2[N+](=O)[O-])on1 ZINC000013566819 291989233 /nfs/dbraw/zinc/98/92/33/291989233.db2.gz VBCUDUYIFIZXOJ-LLVKDONJSA-N 0 0 333.348 2.382 40 5 EEBBRN CCOc1ccc2c(c1)[n+]([O-])c1cc(Br)ccc1[n+]2[O-] ZINC000004744315 276378132 /nfs/dbraw/zinc/37/81/32/276378132.db2.gz BEBBTMAPUVRGDV-UHFFFAOYSA-N 0 0 335.157 2.421 40 5 EEBBRN Cc1ccc2nc(SCCn3cc([N+](=O)[O-])cn3)n(C)c(=O)c2c1 ZINC000074783314 462634371 /nfs/dbraw/zinc/63/43/71/462634371.db2.gz ZEHAZWJVNYMKBM-UHFFFAOYSA-N 0 0 345.384 2.139 40 5 EEBBRN NS(=O)(=O)c1ccc(NSc2ccc([N+](=O)[O-])cc2)cc1 ZINC000005895752 462670784 /nfs/dbraw/zinc/67/07/84/462670784.db2.gz FGQVBSZPNHXEGA-UHFFFAOYSA-N 0 0 325.371 2.361 40 5 EEBBRN CN(C)C(=O)Sc1nc2cc([N+](=O)[O-])ccc2n1C(=O)N(C)C ZINC000006621456 462692909 /nfs/dbraw/zinc/69/29/09/462692909.db2.gz BGKBWHHFJMWVLP-UHFFFAOYSA-N 0 0 337.361 2.248 40 5 EEBBRN Cn1c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2n(C)c1=O ZINC000047080889 462742071 /nfs/dbraw/zinc/74/20/71/462742071.db2.gz DKUHVYLWWDJWLN-UHFFFAOYSA-N 0 0 326.312 2.038 40 5 EEBBRN O=C(CCn1cc([N+](=O)[O-])cn1)Nc1ccc(-n2ccnc2)c(F)c1 ZINC000065809701 462830538 /nfs/dbraw/zinc/83/05/38/462830538.db2.gz NAHNZQCTYUOYIH-UHFFFAOYSA-N 0 0 344.306 2.145 40 5 EEBBRN CCc1ccc([C@H]2C[C@H](C)CCN2C(=O)Cn2cnc([N+](=O)[O-])n2)o1 ZINC000096433263 463261260 /nfs/dbraw/zinc/26/12/60/463261260.db2.gz HPLPAIQGVWSJEF-DGCLKSJQSA-N 0 0 347.375 2.342 40 5 EEBBRN COC[C@@H](C)N1CCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000097095562 463321929 /nfs/dbraw/zinc/32/19/29/463321929.db2.gz XGSXEOSBJSOWPO-LLVKDONJSA-N 0 0 341.795 2.041 40 5 EEBBRN Cc1cccn(CC(=O)N2c3ccc([N+](=O)[O-])cc3C[C@H]2C)c1=O ZINC000097103480 463325498 /nfs/dbraw/zinc/32/54/98/463325498.db2.gz JAYIXJRJDBDBHO-GFCCVEGCSA-N 0 0 327.340 2.043 40 5 EEBBRN CC(=O)N[C@H]1CCCC[C@]12CN(Cc1cccc([N+](=O)[O-])c1)CCO2 ZINC000306132364 466491743 /nfs/dbraw/zinc/49/17/43/466491743.db2.gz LGLNETNOAKOGMQ-ROUUACIJSA-N 0 0 347.415 2.245 40 5 EEBBRN CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@@H]1CCCN(C(=O)OC)C1 ZINC000078498698 217062903 /nfs/dbraw/zinc/06/29/03/217062903.db2.gz SXULCCHQHZDVCL-CQSZACIVSA-N 0 0 349.387 2.422 40 5 EEBBRN CCOc1ccc(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000010448848 211174558 /nfs/dbraw/zinc/17/45/58/211174558.db2.gz PLVXEGNNJLEUND-UHFFFAOYSA-N 0 0 336.369 2.472 40 5 EEBBRN O=C(Cc1cccc([N+](=O)[O-])c1)N1CCCC[C@@H]1C(=O)N1CCCC1 ZINC000096425083 303655921 /nfs/dbraw/zinc/65/59/21/303655921.db2.gz BNORPFHAOBRQMD-MRXNPFEDSA-N 0 0 345.399 2.141 40 5 EEBBRN CC(C)C(=O)Nc1ccc(NC(=O)CCn2cc([N+](=O)[O-])cn2)cc1 ZINC000048302548 462890167 /nfs/dbraw/zinc/89/01/67/462890167.db2.gz HMVCQOLYRWTSSF-UHFFFAOYSA-N 0 0 345.359 2.415 40 5 EEBBRN Cc1n[nH]c(C(=O)NC2CCN(c3cccc(F)c3)CC2)c1[N+](=O)[O-] ZINC000096414565 463247371 /nfs/dbraw/zinc/24/73/71/463247371.db2.gz OQNOCCVCVRHTGK-UHFFFAOYSA-N 0 0 347.350 2.164 40 5 EEBBRN CNc1ccc(CN2CCN(Cc3cccnc3)CC2)cc1[N+](=O)[O-] ZINC000097236818 463352066 /nfs/dbraw/zinc/35/20/66/463352066.db2.gz FRNLSQGTWIIHKU-UHFFFAOYSA-N 0 0 341.415 2.349 40 5 EEBBRN C[C@]1(CO)CCC[C@H]1NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000195547481 464074607 /nfs/dbraw/zinc/07/46/07/464074607.db2.gz CZTDGOQXYFWOHO-NVXWUHKLSA-N 0 0 344.371 2.061 40 5 EEBBRN C[C@@H]1CCC[C@@H](n2ccc3nc4ccn(N)c(=O)c4cc3c2=O)[C@H]1C ZINC000253574165 465018808 /nfs/dbraw/zinc/01/88/08/465018808.db2.gz SGDONNJHAFBSFT-BWACUDIHSA-N 0 0 338.411 2.422 40 5 EEBBRN CCO[C@@H]1C=CC[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3C)C(=O)[C@@H]21 ZINC000026806177 1352371753 /nfs/dbraw/zinc/37/17/53/1352371753.db2.gz SOILWSSFGONHDO-YUELXQCFSA-N 0 0 330.340 2.374 40 5 EEBBRN COc1ccc(-c2nc(Cc3noc([C@H]4CC4[N+](=O)[O-])n3)co2)cc1 ZINC000078773972 217118737 /nfs/dbraw/zinc/11/87/37/217118737.db2.gz HFTRTKPQKPGEEC-QWHCGFSZSA-N 0 0 342.311 2.457 40 5 EEBBRN COc1cc(F)c([N+](=O)[O-])c(N2CCN(C[C@H]3CCCO3)CC2)c1 ZINC000096453209 274096004 /nfs/dbraw/zinc/09/60/04/274096004.db2.gz KAJBZFKSQBKWHQ-GFCCVEGCSA-N 0 0 339.367 2.044 40 5 EEBBRN Cc1ccc(C)c(S(=O)(=O)NCCc2cscn2)c1[N+](=O)[O-] ZINC000190007916 323466364 /nfs/dbraw/zinc/46/63/64/323466364.db2.gz GATAPBCXJMKELD-UHFFFAOYSA-N 0 0 341.414 2.189 40 5 EEBBRN COc1ccccc1NC(=O)c1[nH]nc([N+](=O)[O-])c1Br ZINC000000113858 462542901 /nfs/dbraw/zinc/54/29/01/462542901.db2.gz KLLXSCDRCBNCBU-UHFFFAOYSA-N 0 0 341.121 2.341 40 5 EEBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)c1ccccc1N ZINC000006755356 462702659 /nfs/dbraw/zinc/70/26/59/462702659.db2.gz GYWOKQQNVAMKHA-UHFFFAOYSA-N 0 0 329.312 2.281 40 5 EEBBRN O=C(Cn1cnc([N+](=O)[O-])c1)NCc1ccc(F)cc1C(F)(F)F ZINC000077234399 462957841 /nfs/dbraw/zinc/95/78/41/462957841.db2.gz UNTGAUXFUBRICD-UHFFFAOYSA-N 0 0 346.240 2.266 40 5 EEBBRN COc1ccc([N+](=O)[O-])cc1-c1n[nH]c([C@H](N)c2ccccc2)n1 ZINC000095533484 463107461 /nfs/dbraw/zinc/10/74/61/463107461.db2.gz XGTRHLXRSINJJF-CQSZACIVSA-N 0 0 325.328 2.437 40 5 EEBBRN O=C(CCn1cc([N+](=O)[O-])cn1)NCCc1c[nH]c2ccc(F)cc12 ZINC000096408517 463241788 /nfs/dbraw/zinc/24/17/88/463241788.db2.gz RLIJQLMSMKXSOM-UHFFFAOYSA-N 0 0 345.334 2.161 40 5 EEBBRN Cc1noc(C)c1CNS(=O)(=O)c1c(C)ccc([N+](=O)[O-])c1C ZINC000096427813 463257269 /nfs/dbraw/zinc/25/72/69/463257269.db2.gz MOJGPGMJKLWGPW-UHFFFAOYSA-N 0 0 339.373 2.295 40 5 EEBBRN CS[C@@H](CO)[C@@H](C)Nc1ncc([N+](=O)[O-])cc1Br ZINC000096452888 463273238 /nfs/dbraw/zinc/27/32/38/463273238.db2.gz ZIGRFFZTJZNCLH-MUWHJKNJSA-N 0 0 336.211 2.277 40 5 EEBBRN O=c1oc(=O)c2ccc3c(=O)n4c5ccccc5nc4c4ccc1c2c43 ZINC000102605730 463389484 /nfs/dbraw/zinc/38/94/84/463389484.db2.gz UWJXHEXIAXLKSC-UHFFFAOYSA-N 0 0 340.294 2.496 40 5 EEBBRN O=C(c1cccc([N+](=O)[O-])c1)N1CCN(C(=O)C2=CCCCC2)CC1 ZINC000225460460 464162418 /nfs/dbraw/zinc/16/24/18/464162418.db2.gz UJRHYQBEIXCIOQ-UHFFFAOYSA-N 0 0 343.383 2.380 40 5 EEBBRN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCS[C@@H](C)CC1 ZINC000192163767 464877684 /nfs/dbraw/zinc/87/76/84/464877684.db2.gz GBZPAYUSSZKMQR-NSHDSACASA-N 0 0 330.431 2.419 40 5 EEBBRN CCOC(=O)CN(Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C(C)C ZINC000049980847 214038995 /nfs/dbraw/zinc/03/89/95/214038995.db2.gz AYVAUFYBBTVWAW-UHFFFAOYSA-N 0 0 348.359 2.418 40 5 EEBBRN CCOc1ccc(Nc2nc(NCCO)nc(C)c2[N+](=O)[O-])cc1 ZINC000004601009 210230370 /nfs/dbraw/zinc/23/03/70/210230370.db2.gz MRPNRRQWCBIQJR-UHFFFAOYSA-N 0 0 333.348 2.240 40 5 EEBBRN Cc1c(OCC(=O)NC(=O)NCc2ccccc2)cccc1[N+](=O)[O-] ZINC000048355158 213929358 /nfs/dbraw/zinc/92/93/58/213929358.db2.gz OTEGUAUEZULQKS-UHFFFAOYSA-N 0 0 343.339 2.308 40 5 EEBBRN Cc1noc(C)c1CNS(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000195579903 241030528 /nfs/dbraw/zinc/03/05/28/241030528.db2.gz AVXZJPRZKXGFJQ-UHFFFAOYSA-N 0 0 339.373 2.295 40 5 EEBBRN COc1ccccc1C[C@H](C)N(C)C(=O)c1[nH]nc(C)c1[N+](=O)[O-] ZINC000080996013 217347752 /nfs/dbraw/zinc/34/77/52/217347752.db2.gz KQIDIDGREDILSI-JTQLQIEISA-N 0 0 332.360 2.338 40 5 EEBBRN COCCN1C(=O)S/C(=C/c2cc([N+](=O)[O-])ccc2OC)C1=O ZINC000409139169 257877165 /nfs/dbraw/zinc/87/71/65/257877165.db2.gz AVNXCQXVYDSDHQ-XYOKQWHBSA-N 0 0 338.341 2.286 40 5 EEBBRN CC(=O)N[C@@H]1CCCN(c2cc(Br)ccc2[N+](=O)[O-])C1 ZINC000095421295 275484168 /nfs/dbraw/zinc/48/41/68/275484168.db2.gz STQSSUMWSGMRRG-LLVKDONJSA-N 0 0 342.193 2.462 40 5 EEBBRN CS(=O)(=O)Nc1cc(-c2ccco2)nn1-c1cccc([N+](=O)[O-])c1 ZINC000097098420 323320591 /nfs/dbraw/zinc/32/05/91/323320591.db2.gz RBLMWTXBJJYRTN-UHFFFAOYSA-N 0 0 348.340 2.412 40 5 EEBBRN Cc1ccc(OCCNC(=O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000001906228 462587794 /nfs/dbraw/zinc/58/77/94/462587794.db2.gz UGEVUFBHRCUARK-UHFFFAOYSA-N 0 0 330.340 2.477 40 5 EEBBRN COC(=O)c1ccc([N+](=O)[O-])c(N[C@H]2CCc3nc(C)cn3C2)c1 ZINC000096501054 463291969 /nfs/dbraw/zinc/29/19/69/463291969.db2.gz AEGWSPHIRPVYKF-LBPRGKRZSA-N 0 0 330.344 2.313 40 5 EEBBRN CN1C(=O)c2ccc(NC(=O)c3cc(F)ccc3[N+](=O)[O-])cc2C1=O ZINC000059356302 463641472 /nfs/dbraw/zinc/64/14/72/463641472.db2.gz CMUFCYIQKXXAHQ-UHFFFAOYSA-N 0 0 343.270 2.212 40 5 EEBBRN Cc1cc(N[C@H]2CCCN(c3cccnc3)C2=O)ncc1[N+](=O)[O-] ZINC000253426897 465011387 /nfs/dbraw/zinc/01/13/87/465011387.db2.gz SKEASRNKULXXSC-ZDUSSCGKSA-N 0 0 327.344 2.301 40 5 EEBBRN CCCOC(=O)C1C(C)=NC(=S)N[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000003844155 210078187 /nfs/dbraw/zinc/07/81/87/210078187.db2.gz UOTWMSYUTOLDQK-CYBMUJFWSA-N 0 0 335.385 2.341 40 5 EEBBRN Cc1cccnc1[C@H](NC(=O)CCn1cc([N+](=O)[O-])cn1)C(C)C ZINC000079358046 217214991 /nfs/dbraw/zinc/21/49/91/217214991.db2.gz UTEVIWIFZJMOPR-OAHLLOKOSA-N 0 0 331.376 2.398 40 5 EEBBRN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N(C)Cc1ccccn1 ZINC000096451021 218834137 /nfs/dbraw/zinc/83/41/37/218834137.db2.gz YVIQIQDKSCYAJK-UHFFFAOYSA-N 0 0 335.385 2.427 40 5 EEBBRN CCCOc1c(OC)cc(C=C2NC(=S)NC2=O)cc1[N+](=O)[O-] ZINC000005952100 462672830 /nfs/dbraw/zinc/67/28/30/462672830.db2.gz VLSBBKNCQFYNIT-WEVVVXLNSA-N 0 0 337.357 2.149 40 5 EEBBRN O=C(c1ccncc1)N1N=C(c2cccc([N+](=O)[O-])c2)SCC1=O ZINC000016758351 462989387 /nfs/dbraw/zinc/98/93/87/462989387.db2.gz HPUGVTLAFGBCDC-UHFFFAOYSA-N 0 0 342.336 2.067 40 5 EEBBRN CN1C(=O)CN(C(=O)Cc2cccc([N+](=O)[O-])c2)c2ccccc21 ZINC000096450785 463272298 /nfs/dbraw/zinc/27/22/98/463272298.db2.gz DVTMTZZRPLDYHC-UHFFFAOYSA-N 0 0 325.324 2.147 40 5 EEBBRN C[C@@](O)(CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)c1ccco1 ZINC000096459319 463276711 /nfs/dbraw/zinc/27/67/11/463276711.db2.gz QCSZFFBVWZDXCX-OAHLLOKOSA-N 0 0 338.747 2.408 40 5 EEBBRN Cc1c(F)cc(S(=O)(=O)NCCc2nccs2)cc1[N+](=O)[O-] ZINC000097097259 463322494 /nfs/dbraw/zinc/32/24/94/463322494.db2.gz KAGCRPDAJBIJDR-UHFFFAOYSA-N 0 0 345.377 2.020 40 5 EEBBRN Cc1c(C(=O)NC[C@@H]2COc3ccccc3O2)cccc1[N+](=O)[O-] ZINC000031240524 463330287 /nfs/dbraw/zinc/33/02/87/463330287.db2.gz VNZVIBIXMQDWNI-GFCCVEGCSA-N 0 0 328.324 2.473 40 5 EEBBRN CN(C[C@H](O)c1ccc(F)cc1)C(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000097235026 463352454 /nfs/dbraw/zinc/35/24/54/463352454.db2.gz QRJPMQMXDVDMGQ-AWEZNQCLSA-N 0 0 333.319 2.122 40 5 EEBBRN CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@](C)(O)c1ccco1 ZINC000225560902 464171875 /nfs/dbraw/zinc/17/18/75/464171875.db2.gz CTSHISQJDQAXSE-INIZCTEOSA-N 0 0 334.328 2.224 40 5 EEBBRN COCCn1cc(CNC(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)cn1 ZINC000282857754 464977037 /nfs/dbraw/zinc/97/70/37/464977037.db2.gz WZKNHQXCNTVSFZ-UHFFFAOYSA-N 0 0 347.375 2.376 40 5 EEBBRN O=[N+]([O-])c1cc(Br)cnc1NCCCn1cccn1 ZINC000095416460 218354816 /nfs/dbraw/zinc/35/48/16/218354816.db2.gz KDCBAYCJJCEXNB-UHFFFAOYSA-N 0 0 326.154 2.451 40 5 EEBBRN O=C(Nc1ccnc2ccnn21)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000154145785 323331205 /nfs/dbraw/zinc/33/12/05/323331205.db2.gz RTKNEDSHXQAOMI-UHFFFAOYSA-N 0 0 349.310 2.076 40 5 EEBBRN COC(=O)Cc1csc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)n1 ZINC000047339186 462772126 /nfs/dbraw/zinc/77/21/26/462772126.db2.gz QGLJMDHHYMIKIC-AATRIKPKSA-N 0 0 347.352 2.419 40 5 EEBBRN Cc1ccc(OCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000010544247 462820397 /nfs/dbraw/zinc/82/03/97/462820397.db2.gz VJEPYCOCFNAGNX-UHFFFAOYSA-N 0 0 336.369 2.261 40 5 EEBBRN COC(=O)[C@@H]1C=C[C@@H](C)n2c(=O)c3cc4ccccc4cc3c(=O)n21 ZINC000016958181 462992373 /nfs/dbraw/zinc/99/23/73/462992373.db2.gz HJBFDSYSLGUEND-BZNIZROVSA-N 0 0 336.347 2.161 40 5 EEBBRN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1C(=O)COc2ccccc21 ZINC000019162314 463013991 /nfs/dbraw/zinc/01/39/91/463013991.db2.gz DKPXHFADMNPJAC-UHFFFAOYSA-N 0 0 341.323 2.267 40 5 EEBBRN CCS(=O)(=O)C(Cl)(Cl)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000096519663 463293835 /nfs/dbraw/zinc/29/38/35/463293835.db2.gz SUPCWZUDKHFLMK-VIFPVBQESA-N 0 0 328.173 2.194 40 5 EEBBRN CC1(C)CC(=O)C2=C(c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)NN[C@@H]2C1 ZINC000228921015 464192988 /nfs/dbraw/zinc/19/29/88/464192988.db2.gz JWSBTKMAGUGBIF-YPMHNXCESA-N 0 0 332.316 2.184 40 5 EEBBRN Cc1cc([N+](=O)[O-])ccc1NC(=O)Cn1c(=O)oc2ccccc21 ZINC000408598745 466681811 /nfs/dbraw/zinc/68/18/11/466681811.db2.gz AMULMPLHXLOIFI-UHFFFAOYSA-N 0 0 327.296 2.450 40 5 EEBBRN O=C(N[C@@H]1CCCC[C@H]1O)c1ccc([N+](=O)[O-])cc1Br ZINC000187129889 236126738 /nfs/dbraw/zinc/12/67/38/236126738.db2.gz PTUGHFGGJNEIIZ-VXGBXAGGSA-N 0 0 343.177 2.391 40 5 EEBBRN O=C(NC(=S)NNc1ccc([N+](=O)[O-])cc1)c1ccccc1F ZINC000009140623 211043929 /nfs/dbraw/zinc/04/39/29/211043929.db2.gz UDCQYURSDQNOTF-UHFFFAOYSA-N 0 0 334.332 2.365 40 5 EEBBRN CCO[C@H]1C[C@H](NC(=O)CCn2cc([N+](=O)[O-])cn2)C12CCCC2 ZINC000096432505 218807780 /nfs/dbraw/zinc/80/77/80/218807780.db2.gz RUWHUXDGHHVKAI-KBPBESRZSA-N 0 0 336.392 2.035 40 5 EEBBRN O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CCC2(CC1)OCCO2 ZINC000068933342 463192194 /nfs/dbraw/zinc/19/21/94/463192194.db2.gz XVENVRTWHWKXBN-UHFFFAOYSA-N 0 0 326.736 2.227 40 5 EEBBRN Cc1[nH]nc(C(=O)N2Cc3ccccc3N(C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000096459404 463276885 /nfs/dbraw/zinc/27/68/85/463276885.db2.gz ZVIBDEAXCGRGAZ-JTQLQIEISA-N 0 0 329.360 2.107 40 5 EEBBRN CC(C)(C)C(=O)NC[C@@H]1CCCN(c2cc(CO)ccc2[N+](=O)[O-])C1 ZINC000096496060 463289277 /nfs/dbraw/zinc/28/92/77/463289277.db2.gz UQIKGNIMULWKCL-AWEZNQCLSA-N 0 0 349.431 2.466 40 5 EEBBRN COC(=O)c1ccc([N+](=O)[O-])c(N2CCC(c3cnn(C)c3)CC2)c1 ZINC000096501056 463291031 /nfs/dbraw/zinc/29/10/31/463291031.db2.gz RHBBFYDDLVEFLJ-UHFFFAOYSA-N 0 0 344.371 2.499 40 5 EEBBRN Cn1c(=O)c2ccc([N+](=O)[O-])cc2nc1SCCOCC(F)F ZINC000225444305 464161267 /nfs/dbraw/zinc/16/12/67/464161267.db2.gz XUBYFIBTGBSUQV-UHFFFAOYSA-N 0 0 345.327 2.216 40 5 EEBBRN O=[N+]([O-])c1cccc(S(=O)(=O)NCCOCc2ccccc2)c1 ZINC000185888451 235777733 /nfs/dbraw/zinc/77/77/33/235777733.db2.gz RBQOEZAWRMCILO-UHFFFAOYSA-N 0 0 336.369 2.090 40 5 EEBBRN O=C1NCCN(Cc2c(F)cccc2[N+](=O)[O-])[C@@H]1c1cccs1 ZINC000072800052 216308890 /nfs/dbraw/zinc/30/88/90/216308890.db2.gz FOKQCBUTSGAKOA-CQSZACIVSA-N 0 0 335.360 2.469 40 5 EEBBRN Cc1ccccc1CN(C)c1cccc(S(N)(=O)=O)c1[N+](=O)[O-] ZINC000195562683 241013707 /nfs/dbraw/zinc/01/37/07/241013707.db2.gz MLAJNVDBIIYXOX-UHFFFAOYSA-N 0 0 335.385 2.187 40 5 EEBBRN O=[N+]([O-])c1cccc(CCc2nc(COC3CCOCC3)no2)c1 ZINC000088337499 462623469 /nfs/dbraw/zinc/62/34/69/462623469.db2.gz DDNBIOJPHHOADW-UHFFFAOYSA-N 0 0 333.344 2.459 40 5 EEBBRN Cc1ccc(C(=O)NCC(=O)OCc2cccc([N+](=O)[O-])c2)cc1 ZINC000006478772 462686868 /nfs/dbraw/zinc/68/68/68/462686868.db2.gz WNFXFHZHPTWBRL-UHFFFAOYSA-N 0 0 328.324 2.376 40 5 EEBBRN O=C(c1ccco1)N1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000051182697 463024508 /nfs/dbraw/zinc/02/45/08/463024508.db2.gz SHCNCVCCAYAOOK-UHFFFAOYSA-N 0 0 329.356 2.188 40 5 EEBBRN Cc1nn(C)c(C)c1[C@H](C)NC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000096430750 463260080 /nfs/dbraw/zinc/26/00/80/463260080.db2.gz FUUIOTZIKOQELI-NSHDSACASA-N 0 0 345.403 2.259 40 5 EEBBRN COc1ccc([N+](=O)[O-])cc1COC(=O)Cn1nnc2ccccc21 ZINC000057646027 463504750 /nfs/dbraw/zinc/50/47/50/463504750.db2.gz ZPUJIAPTFQKHQN-UHFFFAOYSA-N 0 0 342.311 2.092 40 5 EEBBRN COc1cccc(C(=O)N(C)[C@@H]2CCCc3c2cnn3C)c1[N+](=O)[O-] ZINC000194748195 463921457 /nfs/dbraw/zinc/92/14/57/463921457.db2.gz YCDJWDBMIGBJLG-CYBMUJFWSA-N 0 0 344.371 2.487 40 5 EEBBRN CN(C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)[C@H](CO)C(C)(C)C ZINC000195561532 464077865 /nfs/dbraw/zinc/07/78/65/464077865.db2.gz BOWBNRMTUOJBAJ-OAHLLOKOSA-N 0 0 346.387 2.260 40 5 EEBBRN O=C(NCCc1cccc([N+](=O)[O-])c1)N1CCC[C@@H]1[C@H]1CCCO1 ZINC000253416449 465005164 /nfs/dbraw/zinc/00/51/64/465005164.db2.gz DNSXEHGVELUFIA-HZPDHXFCSA-N 0 0 333.388 2.490 40 5 EEBBRN [NH3+][C@H](Cc1ccc2nc3c4ccccc4c(=O)cc-3oc2c1)C(=O)[O-] ZINC000006576228 462690443 /nfs/dbraw/zinc/69/04/43/462690443.db2.gz NZELGSWHCAMWKR-CYBMUJFWSA-N 0 0 334.331 2.400 40 5 EEBBRN COc1ccc(OC)c(N2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)c1 ZINC000008114560 462766727 /nfs/dbraw/zinc/76/67/27/462766727.db2.gz SDOGPMNDSYESHC-UHFFFAOYSA-N 0 0 328.280 2.413 40 5 EEBBRN COCCNC(=O)c1ccccc1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000008105583 462767013 /nfs/dbraw/zinc/76/70/13/462767013.db2.gz BLYHIMRAYCFTRD-UHFFFAOYSA-N 0 0 343.339 2.223 40 5 EEBBRN O=C(C[C@@H]1Nc2ccccc2OC1=O)Nc1cccc([N+](=O)[O-])c1 ZINC000014165506 462915691 /nfs/dbraw/zinc/91/56/91/462915691.db2.gz JLPIQSWOMHENDU-ZDUSSCGKSA-N 0 0 327.296 2.323 40 5 EEBBRN C[C@@H]1CN=C(N2CCN(c3ncc([N+](=O)[O-])cc3Cl)CC2)S1 ZINC000078400556 463113332 /nfs/dbraw/zinc/11/33/32/463113332.db2.gz HGDKHCISOLSTEZ-SECBINFHSA-N 0 0 341.824 2.257 40 5 EEBBRN COC(=O)c1c(C)[nH]c2coc(=O)c-2c1-c1ccccc1[N+](=O)[O-] ZINC000034102065 463426749 /nfs/dbraw/zinc/42/67/49/463426749.db2.gz NZHFIISQXLFKEF-UHFFFAOYSA-N 0 0 328.280 2.422 40 5 in-vitro EEBBRN CC(=O)c1cc(N2CCC[C@@H](c3nncn3C)C2)ccc1[N+](=O)[O-] ZINC000253415465 465004915 /nfs/dbraw/zinc/00/49/15/465004915.db2.gz XIZTYQFLBLSTGX-GFCCVEGCSA-N 0 0 329.360 2.310 40 5 EEBBRN O=C1N/C(=C/c2ccc([N+](=O)[O-])o2)C(=O)N1Cc1ccccc1F ZINC000409095736 466685554 /nfs/dbraw/zinc/68/55/54/466685554.db2.gz INPPCUUHXQZPDI-KPKJPENVSA-N 0 0 331.259 2.420 40 5 EEBBRN O=[N+]([O-])c1ccc(Sc2nnc(-c3ccccc3)o2)c2c1=NCN=2 ZINC000111476852 534882874 /nfs/dbraw/zinc/88/28/74/534882874.db2.gz NRFMQXRSILITFS-UHFFFAOYSA-N 0 0 339.336 2.006 40 5 EEBBRN CC/C=C(\C)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000098012891 219068831 /nfs/dbraw/zinc/06/88/31/219068831.db2.gz XJMUMZFQTOPSSM-YIXHJXPBSA-N 0 0 331.372 2.236 40 5 EEBBRN CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000132260404 530035512 /nfs/dbraw/zinc/03/55/12/530035512.db2.gz PLRKVNBLGOYNMJ-UHFFFAOYSA-N 0 0 337.313 2.328 40 5 EEBBRN C[C@@H]1CCC[C@@H](C)N1C(=O)Cn1nnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000000422691 209584532 /nfs/dbraw/zinc/58/45/32/209584532.db2.gz NZTNPSNOVKNWJA-VXGBXAGGSA-N 0 0 344.375 2.038 40 5 EEBBRN CNC(=O)/C(=C/c1ccccc1F)NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000000043064 209386864 /nfs/dbraw/zinc/38/68/64/209386864.db2.gz YUBHBCIASUVZCF-GDNBJRDFSA-N 0 0 343.314 2.251 40 5 EEBBRN CC(=O)N(C)c1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000078234628 217032062 /nfs/dbraw/zinc/03/20/62/217032062.db2.gz CJUHQYAMDWOZHP-UHFFFAOYSA-N 0 0 349.368 2.378 40 5 EEBBRN CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000013669283 211602670 /nfs/dbraw/zinc/60/26/70/211602670.db2.gz KFXCCQPNJGMBNY-UHFFFAOYSA-N 0 0 335.385 2.010 40 5 EEBBRN N[C@@H](c1nc(COc2ccc([N+](=O)[O-])cc2)n[nH]1)c1ccc(F)cc1 ZINC000095533297 218433340 /nfs/dbraw/zinc/43/33/40/218433340.db2.gz DYLNSOBHUTWDNH-OAHLLOKOSA-N 0 0 343.318 2.479 40 5 EEBBRN NC(=O)CC1CCN(c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000096427328 218799304 /nfs/dbraw/zinc/79/93/04/218799304.db2.gz DUOJCWOXEMOHDZ-UHFFFAOYSA-N 0 0 342.193 2.449 40 5 EEBBRN COc1ccc(NC(=O)COC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000001943597 462588183 /nfs/dbraw/zinc/58/81/83/462588183.db2.gz PCXQPGMWGAIIST-UHFFFAOYSA-N 0 0 330.296 2.399 40 5 EEBBRN Cn1c(CCCNC(=O)c2ccc([N+](=O)[O-])o2)nc2ccccc21 ZINC000096411673 463245229 /nfs/dbraw/zinc/24/52/29/463245229.db2.gz DTYALDMRLYVQHD-UHFFFAOYSA-N 0 0 328.328 2.437 40 5 EEBBRN Nn1ccc2nc3ccn(-c4cccc(Cl)c4)c(=O)c3cc2c1=O ZINC000040398599 463455097 /nfs/dbraw/zinc/45/50/97/463455097.db2.gz CCQDYEFIYRJFFY-UHFFFAOYSA-N 0 0 338.754 2.068 40 5 EEBBRN CC[C@@H]1CN(c2ccc([N+](=O)[O-])c(C(C)=O)c2)CCN1CCOC ZINC000252523246 464979157 /nfs/dbraw/zinc/97/91/57/464979157.db2.gz CEIMSMXIYZHWAE-CQSZACIVSA-N 0 0 335.404 2.344 40 5 EEBBRN Nc1nc(N2CCC[C@H](C(=O)c3ccc(F)cc3)C2)ncc1[N+](=O)[O-] ZINC000077995077 217011129 /nfs/dbraw/zinc/01/11/29/217011129.db2.gz GIRCODYJHPUFJC-NSHDSACASA-N 0 0 345.334 2.205 40 5 EEBBRN O=c1oc2cc([N+](=O)[O-])ccc2n1Cc1ncn(-c2ccccc2)n1 ZINC000095457508 218399313 /nfs/dbraw/zinc/39/93/13/218399313.db2.gz DVCLUHRYNPZYCQ-UHFFFAOYSA-N 0 0 337.295 2.132 40 5 EEBBRN CCOCCCNc1ncc([N+](=O)[O-])c(NCCCOCC)n1 ZINC000005000444 210356283 /nfs/dbraw/zinc/35/62/83/210356283.db2.gz CMBXMFNNVJVOHD-UHFFFAOYSA-N 0 0 327.385 2.062 40 5 EEBBRN COc1ccccc1-n1c2ccccc2cc2c(=O)n(C)c(=O)nc1-2 ZINC000005748818 295345067 /nfs/dbraw/zinc/34/50/67/295345067.db2.gz NKSWVKJKLAATSG-UHFFFAOYSA-N 0 0 333.347 2.198 40 5 EEBBRN O=C(COC(=O)c1ccc2c(c1)OCCO2)c1ccc([N+](=O)[O-])cc1 ZINC000061062663 462576441 /nfs/dbraw/zinc/57/64/41/462576441.db2.gz DWPHJQITKSUMAR-UHFFFAOYSA-N 0 0 343.291 2.406 40 5 EEBBRN Cc1cc([N+](=O)[O-])c(N2C(=O)[C@@H]3[C@H](C2=O)[C@H]2C=C[C@]3(C)O2)cc1C ZINC000004803310 462638090 /nfs/dbraw/zinc/63/80/90/462638090.db2.gz AIHLFYMHGAYKML-WVZRYYJFSA-N 0 0 328.324 2.045 40 5 EEBBRN COc1cccc(C(=O)OCC(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000006583483 462691151 /nfs/dbraw/zinc/69/11/51/462691151.db2.gz DFUBSEILGDWCCB-UHFFFAOYSA-N 0 0 330.296 2.399 40 5 EEBBRN O=C(CSc1nccc(=O)[nH]1)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000408544308 466680536 /nfs/dbraw/zinc/68/05/36/466680536.db2.gz VHNJGLMERNKLEB-UHFFFAOYSA-N 0 0 340.748 2.475 40 5 EEBBRN CCC[N+](CC)(CC)CCNC(=O)c1c([O-])c2ccccc2[nH]c1=O ZINC000006162543 210595284 /nfs/dbraw/zinc/59/52/84/210595284.db2.gz PSMREVQVBYCCJR-UHFFFAOYSA-O 0 0 346.451 2.230 40 5 EEBBRN Nn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1-c1ccncc1 ZINC000016755864 462989893 /nfs/dbraw/zinc/98/98/93/462989893.db2.gz QQIZYHNUOPAVMB-UHFFFAOYSA-N 0 0 328.357 2.254 40 5 EEBBRN O=C(Cc1cccc([N+](=O)[O-])c1)N1CCCC[C@H]1C(=O)N1CCCC1 ZINC000096425084 463255407 /nfs/dbraw/zinc/25/54/07/463255407.db2.gz BNORPFHAOBRQMD-INIZCTEOSA-N 0 0 345.399 2.141 40 5 EEBBRN CN(C)c1ccccc1N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000152528424 463700633 /nfs/dbraw/zinc/70/06/33/463700633.db2.gz QKYPHMOJIKVHOI-UHFFFAOYSA-N 0 0 335.385 2.486 40 5 EEBBRN COc1cccc(C(=O)NCc2nccn2CC(C)C)c1[N+](=O)[O-] ZINC000192620659 464960222 /nfs/dbraw/zinc/96/02/22/464960222.db2.gz PLEAXUOTSSCELV-UHFFFAOYSA-N 0 0 332.360 2.386 40 5 EEBBRN COc1cccc2c1CCCCN2C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000253425496 524201091 /nfs/dbraw/zinc/20/10/91/524201091.db2.gz FJPFQPWNYXFQME-UHFFFAOYSA-N 0 0 330.344 2.320 40 5 EEBBRN CCOC(=O)N1CCN(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000040525430 213335043 /nfs/dbraw/zinc/33/50/43/213335043.db2.gz BWVHPYSBTNJAHL-UHFFFAOYSA-N 0 0 336.348 2.209 40 5 EEBBRN N=c1c(C(N)=O)cc2[nH]c3ccccc3c2n1-c1ccc([N+](=O)[O-])cc1 ZINC000000210163 283368463 /nfs/dbraw/zinc/36/84/63/283368463.db2.gz VWNUMGJCXJPMHU-UHFFFAOYSA-O 0 0 348.342 2.187 40 5 EEBBRN Nc1nc(N2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)ncc1[N+](=O)[O-] ZINC000077995076 217010461 /nfs/dbraw/zinc/01/04/61/217010461.db2.gz GIRCODYJHPUFJC-LLVKDONJSA-N 0 0 345.334 2.205 40 5 EEBBRN CC(C)c1nc(S(=O)(=O)N2CCc3c2cccc3[N+](=O)[O-])c[nH]1 ZINC000080759473 217330872 /nfs/dbraw/zinc/33/08/72/217330872.db2.gz RRJJLGVJLRPXSC-UHFFFAOYSA-N 0 0 336.373 2.193 40 5 EEBBRN O=C1OC(c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)=N/C1=C/c1ccncc1 ZINC000005338778 462656374 /nfs/dbraw/zinc/65/63/74/462656374.db2.gz UXESXMZITYXDBJ-WLRTZDKTSA-N 0 0 340.251 2.243 40 5 EEBBRN O=[N+]([O-])c1ccc(N2CCC[C@@H]2CN2CCOCC2)c2ccncc21 ZINC000160413066 463335936 /nfs/dbraw/zinc/33/59/36/463335936.db2.gz IJDGYSXALGIZHX-CQSZACIVSA-N 0 0 342.399 2.444 40 5 EEBBRN CN(CCOc1ccc(F)cc1)C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000195566533 464079183 /nfs/dbraw/zinc/07/91/83/464079183.db2.gz KQYHMJQAWCZDDL-UHFFFAOYSA-N 0 0 333.319 2.467 40 5 EEBBRN O=C(NCc1ccc([N+](=O)[O-])cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000068571865 215319512 /nfs/dbraw/zinc/31/95/12/215319512.db2.gz XLSOGJXTSIEZIZ-UHFFFAOYSA-N 0 0 346.255 2.341 40 5 EEBBRN O=C(NC[C@H]1CCCO1)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000008471902 210955743 /nfs/dbraw/zinc/95/57/43/210955743.db2.gz LQJFTIULISXPNR-SECBINFHSA-N 0 0 329.150 2.266 40 5 EEBBRN CCc1cc(CNS(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)on1 ZINC000096451048 218834267 /nfs/dbraw/zinc/83/42/67/218834267.db2.gz BRGANBPRYHDJGQ-UHFFFAOYSA-N 0 0 339.373 2.241 40 5 EEBBRN O=C(NCc1nnc(C2CC2)n1C1CC1)c1ccc([N+](=O)[O-])s1 ZINC000097095285 218949962 /nfs/dbraw/zinc/94/99/62/218949962.db2.gz BKTQZDMPJZAFHQ-UHFFFAOYSA-N 0 0 333.373 2.390 40 5 EEBBRN CN(C)C(=O)NCCNc1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC000097237788 219002900 /nfs/dbraw/zinc/00/29/00/219002900.db2.gz WJZNXDJFWYUUBZ-UHFFFAOYSA-N 0 0 329.360 2.340 40 5 EEBBRN COc1cc(N2CCN(C(=O)[C@H]3C[C@@H]3C)CC2)c([N+](=O)[O-])cc1F ZINC000096466625 277825851 /nfs/dbraw/zinc/82/58/51/277825851.db2.gz SXSLCXRSVMRBEV-QWRGUYRKSA-N 0 0 337.351 2.047 40 5 EEBBRN CN(C)c1ccc(C(=O)OCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000003400933 462616857 /nfs/dbraw/zinc/61/68/57/462616857.db2.gz ZEQZEYKYWAOKHX-UHFFFAOYSA-N 0 0 343.339 2.456 40 5 EEBBRN O=[N+]([O-])c1ccc(N2CCN(c3ccccc3)CC2)c2nonc21 ZINC000005162425 462647621 /nfs/dbraw/zinc/64/76/21/462647621.db2.gz RDIQJHASNAZHAO-UHFFFAOYSA-N 0 0 325.328 2.458 40 5 EEBBRN C[C@@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)[C@H](O)c1ccccc1 ZINC000006852946 462709700 /nfs/dbraw/zinc/70/97/00/462709700.db2.gz FLJIOUDJQYTYIL-BMIGLBTASA-N 0 0 345.311 2.355 40 5 EEBBRN CCc1nnnn1-c1ccccc1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000096411814 463244835 /nfs/dbraw/zinc/24/48/35/463244835.db2.gz VFLKGCKLXONXOW-UHFFFAOYSA-N 0 0 338.327 2.385 40 5 EEBBRN O=C(Nc1ccc(OCc2ccccn2)c(F)c1)[C@@H]1CC1[N+](=O)[O-] ZINC000096445202 463269566 /nfs/dbraw/zinc/26/95/66/463269566.db2.gz WUHBNHFIGNRSNU-OCCSQVGLSA-N 0 0 331.303 2.403 40 5 EEBBRN COc1ccc(-n2c3ccccc3cc3c(=O)n(C)c(=O)nc2-3)cc1 ZINC000039262050 463449242 /nfs/dbraw/zinc/44/92/42/463449242.db2.gz IXAYVHKZNXVCKZ-UHFFFAOYSA-N 0 0 333.347 2.198 40 5 EEBBRN Cc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000081596004 463468269 /nfs/dbraw/zinc/46/82/69/463468269.db2.gz RNNNLAQLKLYOJK-UHFFFAOYSA-N 0 0 344.371 2.214 40 5 EEBBRN COC(=O)COc1cc(Br)c(/C=C/[N+](=O)[O-])cc1OC ZINC000107744955 463580412 /nfs/dbraw/zinc/58/04/12/463580412.db2.gz ZQIOQMIZSAYRFT-ONEGZZNKSA-N 0 0 346.133 2.257 40 5 EEBBRN O=[N+]([O-])c1ccc(NC(=S)NCc2ccc3c(c2)OCO3)nc1 ZINC000224043430 464148036 /nfs/dbraw/zinc/14/80/36/464148036.db2.gz VHNNTWIBMXESGN-UHFFFAOYSA-N 0 0 332.341 2.205 40 5 EEBBRN O=C(CCNc1ccccc1[N+](=O)[O-])N1CCC[C@H](n2cccn2)C1 ZINC000253392868 464997689 /nfs/dbraw/zinc/99/76/89/464997689.db2.gz HRJSGYZDSUMFKZ-AWEZNQCLSA-N 0 0 343.387 2.457 40 5 EEBBRN COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccccc2[N+](=O)[O-])C1=O ZINC000409096172 466685867 /nfs/dbraw/zinc/68/58/67/466685867.db2.gz JNVLHSNUCFPBCL-XAPLUZPNSA-N 0 0 336.325 2.193 40 5 EEBBRN O=C(c1cccs1)N1C[C@H]2C[C@@H](C1)c1ccc([N+](=O)[O-])c(=O)n1C2 ZINC001547205959 1124226408 /nfs/dbraw/zinc/22/64/08/1124226408.db2.gz CTJVGPQXRYAGOZ-MNOVXSKESA-N 0 0 345.380 2.078 40 5 EEBBRN CC[C@@H](C)Nc1nc2nc3ccc(C)cn3c(=O)c2cc1C(=O)NC ZINC000004520319 210212536 /nfs/dbraw/zinc/21/25/36/210212536.db2.gz ABBHJRHTBYQHJG-LLVKDONJSA-N 0 0 339.399 2.121 40 5 EEBBRN O=C(NC[C@H]1[C@@H]2c3ccccc3C[C@H]12)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000193731597 240284752 /nfs/dbraw/zinc/28/47/52/240284752.db2.gz HVNYTBBEURBMOJ-UMVBOHGHSA-N 0 0 325.324 2.011 40 5 EEBBRN COc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](O)c2ccccc2C)c1 ZINC000079028483 217178132 /nfs/dbraw/zinc/17/81/32/217178132.db2.gz QEWCMTCPZBHLGW-INIZCTEOSA-N 0 0 330.340 2.375 40 5 EEBBRN Cc1n[nH]c(C(=O)NCc2ccccc2OCC2CC2)c1[N+](=O)[O-] ZINC000096417156 218778377 /nfs/dbraw/zinc/77/83/77/218778377.db2.gz ATLXOGYSVYBAJA-UHFFFAOYSA-N 0 0 330.344 2.345 40 5 EEBBRN COC(=O)c1ccc(Cn2c(=O)oc3cc([N+](=O)[O-])ccc32)s1 ZINC000096465955 218845446 /nfs/dbraw/zinc/84/54/46/218845446.db2.gz SKYMYBGAQGCDJZ-UHFFFAOYSA-N 0 0 334.309 2.399 40 5 EEBBRN COc1cc([N+](=O)[O-])cc(Br)c1N1CCN(C)CC1 ZINC000045885984 277839580 /nfs/dbraw/zinc/83/95/80/277839580.db2.gz YZOAUZWNLYHJTJ-UHFFFAOYSA-N 0 0 330.182 2.118 40 5 EEBBRN CC1(C)COCCN1S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000040556368 281287714 /nfs/dbraw/zinc/28/77/14/281287714.db2.gz DCFULFYIFAUNPI-UHFFFAOYSA-N 0 0 334.781 2.048 40 5 EEBBRN Cc1nc2ccccc2c(=O)n1Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000004748832 282072431 /nfs/dbraw/zinc/07/24/31/282072431.db2.gz GWTNSACJUXJFHQ-UHFFFAOYSA-N 0 0 341.283 2.397 40 5 EEBBRN Nc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1[N+](=O)[O-] ZINC000045573997 462598965 /nfs/dbraw/zinc/59/89/65/462598965.db2.gz VPOBVVXHKQQJGK-UHFFFAOYSA-N 0 0 344.346 2.279 40 5 EEBBRN C[C@@](O)(CNC(=O)NCCc1ccccc1[N+](=O)[O-])c1ccsc1 ZINC000075108465 462676438 /nfs/dbraw/zinc/67/64/38/462676438.db2.gz MKSJRFLUFKKQEK-MRXNPFEDSA-N 0 0 349.412 2.406 40 5 EEBBRN CSc1nnc(C)n1NC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000006223729 462680073 /nfs/dbraw/zinc/68/00/73/462680073.db2.gz NIHIKGWNXNJLET-UHFFFAOYSA-N 0 0 327.753 2.254 40 5 EEBBRN O=C(C[C@H]1Nc2ccccc2OC1=O)Nc1cccc([N+](=O)[O-])c1 ZINC000014165509 462915781 /nfs/dbraw/zinc/91/57/81/462915781.db2.gz JLPIQSWOMHENDU-CYBMUJFWSA-N 0 0 327.296 2.323 40 5 EEBBRN CCc1oc(C(=O)OC)cc1Cn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000096455505 463275668 /nfs/dbraw/zinc/27/56/68/463275668.db2.gz ZHGLVIFBVVPGET-UHFFFAOYSA-N 0 0 346.295 2.493 40 5 EEBBRN CN(CC(=O)Nc1ccccc1[N+](=O)[O-])Cc1nccn1C(F)F ZINC000072766538 463543011 /nfs/dbraw/zinc/54/30/11/463543011.db2.gz JPTDQBIOBAYIDA-UHFFFAOYSA-N 0 0 339.302 2.257 40 5 EEBBRN C[C@@H](N[C@@H](C)C(=O)N1CCOCC1)c1ccc([N+](=O)[O-])cc1Cl ZINC000195558135 464076317 /nfs/dbraw/zinc/07/63/17/464076317.db2.gz KROFYSSXKJDCMB-MNOVXSKESA-N 0 0 341.795 2.146 40 5 EEBBRN CC(C)(C)[C@@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000279927726 464164101 /nfs/dbraw/zinc/16/41/01/464164101.db2.gz WPALAMJEZKKECE-ZDUSSCGKSA-N 0 0 328.390 2.030 40 5 EEBBRN COc1cc(CNc2cccc([N+](=O)[O-])c2)ccc1OCC(N)=O ZINC000408556619 466681327 /nfs/dbraw/zinc/68/13/27/466681327.db2.gz JULIHBGXZBDNDR-UHFFFAOYSA-N 0 0 331.328 2.080 40 5 EEBBRN O=[N+]([O-])c1cccc(CS(=O)(=O)N2CCc3ccccc3C2)c1 ZINC000020110838 202032902 /nfs/dbraw/zinc/03/29/02/202032902.db2.gz DLIDBTQXUQGFAS-UHFFFAOYSA-N 0 0 332.381 2.483 40 5 EEBBRN CC(C)c1nncn1CCNC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000073145947 202368350 /nfs/dbraw/zinc/36/83/50/202368350.db2.gz WYLSWIJLJIGYGZ-UHFFFAOYSA-N 0 0 337.767 2.393 40 5 EEBBRN O=C(Nc1ncc([N+](=O)[O-])s1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000104149764 204099408 /nfs/dbraw/zinc/09/94/08/204099408.db2.gz CKDCOUQFSQYSMK-UHFFFAOYSA-N 0 0 339.245 2.120 40 5 EEBBRN O=C(NC(=S)Nc1cccc([N+](=O)[O-])c1)c1ccc2c(c1)OCO2 ZINC000000557486 462570493 /nfs/dbraw/zinc/57/04/93/462570493.db2.gz QUUMKGIYNPGGED-UHFFFAOYSA-N 0 0 345.336 2.450 40 5 EEBBRN O=C(N[C@H]1CC(=O)N(c2cccc(F)c2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000004497316 462633275 /nfs/dbraw/zinc/63/32/75/462633275.db2.gz KOIHRPKEFYXZIH-ZDUSSCGKSA-N 0 0 343.314 2.269 40 5 EEBBRN COc1ccc(-c2nc(Cc3noc([C@H]4CC4[N+](=O)[O-])n3)co2)cc1 ZINC000078773964 463147975 /nfs/dbraw/zinc/14/79/75/463147975.db2.gz HFTRTKPQKPGEEC-STQMWFEESA-N 0 0 342.311 2.457 40 5 EEBBRN O=C(OCc1ccccc1)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000026898794 463177094 /nfs/dbraw/zinc/17/70/94/463177094.db2.gz QSBNBHMFTWHNKF-UHFFFAOYSA-N 0 0 342.355 2.449 40 5 EEBBRN Nc1nc(N(Cc2cccs2)C[C@@H]2CCCO2)ncc1[N+](=O)[O-] ZINC000096476889 463280445 /nfs/dbraw/zinc/28/04/45/463280445.db2.gz UVXLHHGYJHEINC-JTQLQIEISA-N 0 0 335.389 2.214 40 5 EEBBRN O=c1c(Br)cc([N+](=O)[O-])cn1Cc1nccn1C(F)F ZINC000096474425 463280613 /nfs/dbraw/zinc/28/06/13/463280613.db2.gz QZIKZPXGRXQSMO-UHFFFAOYSA-N 0 0 349.091 2.159 40 5 EEBBRN Cc1c(F)cc(S(=O)(=O)N(C)Cc2ccco2)cc1[N+](=O)[O-] ZINC000097097007 463323011 /nfs/dbraw/zinc/32/30/11/463323011.db2.gz QOTVITQERUESBJ-UHFFFAOYSA-N 0 0 328.321 2.456 40 5 EEBBRN CC(C)(C)NC(=O)C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000032379454 463373792 /nfs/dbraw/zinc/37/37/92/463373792.db2.gz CDCOSAYICYWROT-UHFFFAOYSA-N 0 0 333.388 2.362 40 5 EEBBRN O=[N+]([O-])c1ccc2c(c1N1CCOCC3(CCOCC3)C1)CCN2 ZINC000225514407 464167366 /nfs/dbraw/zinc/16/73/66/464167366.db2.gz JZBKWGCUMSIRNA-UHFFFAOYSA-N 0 0 333.388 2.196 40 5 EEBBRN COC(=O)c1nn(-c2ccc([N+](=O)[O-])cc2F)cc1Br ZINC000575441398 468144019 /nfs/dbraw/zinc/14/40/19/468144019.db2.gz MVFQSANLDVHPOW-UHFFFAOYSA-N 0 0 344.096 2.469 40 5 EEBBRN COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@H]3C=C[C@@H]([C@@H]2C1=O)C31CC1 ZINC000004305318 201596249 /nfs/dbraw/zinc/59/62/49/201596249.db2.gz JBCAMKLHDOHEPK-JLUCKKNBSA-N 0 0 340.335 2.305 40 5 EEBBRN Cc1cc(C(=O)NCCC(=O)Nc2ccccn2)ccc1[N+](=O)[O-] ZINC000045829757 204332012 /nfs/dbraw/zinc/33/20/12/204332012.db2.gz OKHOSGXPYZIHSA-UHFFFAOYSA-N 0 0 328.328 2.057 40 5 EEBBRN CC(=O)Nc1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000226305770 277081132 /nfs/dbraw/zinc/08/11/32/277081132.db2.gz VSVNZPAQAMKNIN-JTQLQIEISA-N 0 0 341.389 2.116 40 5 EEBBRN O=[N+]([O-])C1(Br)CCC(Br)([N+](=O)[O-])CC1 ZINC000001564081 462584267 /nfs/dbraw/zinc/58/42/67/462584267.db2.gz GGEBPNFRWOARLN-UHFFFAOYSA-N 0 0 331.948 2.296 40 5 EEBBRN COC(=O)[C@@H]1C=C[C@H](C)n2c(=O)c3cc4ccccc4cc3c(=O)n21 ZINC000001631678 462585605 /nfs/dbraw/zinc/58/56/05/462585605.db2.gz HJBFDSYSLGUEND-ZBEGNZNMSA-N 0 0 336.347 2.161 40 5 EEBBRN CCCc1nnn(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1CCC ZINC000001710057 462586558 /nfs/dbraw/zinc/58/65/58/462586558.db2.gz WIVOPRRBGYMNRC-UHFFFAOYSA-N 0 0 338.389 2.328 40 5 EEBBRN CC(=O)[C@H]1[C@@H](c2cccc([N+](=O)[O-])c2)c2c(C)n[nH]c2C[C@@]1(C)O ZINC000013801970 462903704 /nfs/dbraw/zinc/90/37/04/462903704.db2.gz WQMILBNFFUVBET-YESZJQIVSA-N 0 0 329.356 2.271 40 5 EEBBRN CCOc1ccc(C(=O)NC(=S)NCc2ccco2)cc1[N+](=O)[O-] ZINC000014257807 462923042 /nfs/dbraw/zinc/92/30/42/462923042.db2.gz PYBLWQVYWJZXDY-UHFFFAOYSA-N 0 0 349.368 2.391 40 5 EEBBRN O=C(Cc1cccc([N+](=O)[O-])c1)NC[C@@]1(O)CCCc2ccccc21 ZINC000096436423 463265200 /nfs/dbraw/zinc/26/52/00/463265200.db2.gz XJTOODCSBYKEDX-IBGZPJMESA-N 0 0 340.379 2.478 40 5 EEBBRN CC(C)c1nc2n(n1)CCC[C@H]2NC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000188309643 464250185 /nfs/dbraw/zinc/25/01/85/464250185.db2.gz SWZFGPKSAYUXPN-CYBMUJFWSA-N 0 0 344.375 2.157 40 5 EEBBRN CCOc1ccccc1CNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000030850531 202198969 /nfs/dbraw/zinc/19/89/69/202198969.db2.gz KXJYDOJONYVJFH-UHFFFAOYSA-N 0 0 336.369 2.472 40 5 EEBBRN COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(C)s1 ZINC000005027114 205748289 /nfs/dbraw/zinc/74/82/89/205748289.db2.gz ACFXKEYMTWWCNB-UHFFFAOYSA-N 0 0 340.386 2.494 40 5 EEBBRN Cc1cccc(C(=O)N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)n1 ZINC000096411750 218767178 /nfs/dbraw/zinc/76/71/78/218767178.db2.gz XGJDCZBCBKCMPU-GFCCVEGCSA-N 0 0 327.344 2.020 40 5 EEBBRN O=C(NCc1cccc([N+](=O)[O-])c1)N1CCCN(CC(F)F)CC1 ZINC000096487626 218865673 /nfs/dbraw/zinc/86/56/73/218865673.db2.gz QLNROJULSHVHOZ-UHFFFAOYSA-N 0 0 342.346 2.077 40 5 EEBBRN Cn1c(-c2ccccc2)c([N+](=O)[O-])c(C(F)(F)F)c(C(N)=O)c1=O ZINC000003171898 294134631 /nfs/dbraw/zinc/13/46/31/294134631.db2.gz YKSFNXCPMITLKB-UHFFFAOYSA-N 0 0 341.245 2.078 40 5 EEBBRN Nc1[nH]n(-c2ccccc2)c(=O)c1Sc1ccc([N+](=O)[O-])cc1 ZINC000016488554 462980452 /nfs/dbraw/zinc/98/04/52/462980452.db2.gz WZDIBJCALFLZJS-CYBMUJFWSA-N 0 0 328.353 2.375 40 5 EEBBRN Cc1nn(C)c(N[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1[N+](=O)[O-] ZINC000078882583 463160355 /nfs/dbraw/zinc/16/03/55/463160355.db2.gz OUMRHZZTODYNLS-SNVBAGLBSA-N 0 0 325.369 2.058 40 5 EEBBRN C[C@H](c1cccc([N+](=O)[O-])c1)N(C)S(=O)(=O)Cc1ccon1 ZINC000096427647 463257186 /nfs/dbraw/zinc/25/71/86/463257186.db2.gz HWEYPDPQOBDGDC-SNVBAGLBSA-N 0 0 325.346 2.106 40 5 EEBBRN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)Cc1ccoc1C ZINC000057011037 463442190 /nfs/dbraw/zinc/44/21/90/463442190.db2.gz QMNWXAONRLDUNR-UHFFFAOYSA-N 0 0 340.357 2.326 40 5 EEBBRN O=[N+]([O-])c1ccc(Sc2nnnn2C[C@@H]2CCCO2)c(F)c1 ZINC000042096977 463541878 /nfs/dbraw/zinc/54/18/78/463541878.db2.gz WJXXKCHFVPXZAV-VIFPVBQESA-N 0 0 325.325 2.051 40 5 EEBBRN COc1ccccc1CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000044885335 463697739 /nfs/dbraw/zinc/69/77/39/463697739.db2.gz QJZQFTGLAPUJAY-UHFFFAOYSA-N 0 0 336.369 2.223 40 5 EEBBRN COc1ccc([N+](=O)[O-])cc1N(C)S(=O)(=O)c1cccs1 ZINC000225135862 464154092 /nfs/dbraw/zinc/15/40/92/464154092.db2.gz BYUSKLZZXTVDQV-UHFFFAOYSA-N 0 0 328.371 2.490 40 5 EEBBRN CCC1=NN(C(=O)c2ccccc2[N+](=O)[O-])[C@@](O)(c2ccncc2)C1 ZINC000408751520 466683134 /nfs/dbraw/zinc/68/31/34/466683134.db2.gz SRCIBAYBBDLRDP-KRWDZBQOSA-N 0 0 340.339 2.447 40 5 EEBBRN CCCCOC(=O)c1cc([N+](=O)[O-])ccc1Sc1nncn1N ZINC000070462433 215698185 /nfs/dbraw/zinc/69/81/85/215698185.db2.gz CJQIRNOSIIEGPB-UHFFFAOYSA-N 0 0 337.361 2.008 40 5 EEBBRN O=C(CCNC(=O)c1cc([N+](=O)[O-])ccc1Cl)Nc1ccncc1 ZINC000078988862 202413189 /nfs/dbraw/zinc/41/31/89/202413189.db2.gz RRAHSZDTAFJVLM-UHFFFAOYSA-N 0 0 348.746 2.402 40 5 EEBBRN Nc1ccc(C(=O)OC2CCN(CC(F)(F)F)CC2)cc1[N+](=O)[O-] ZINC000080413523 202465418 /nfs/dbraw/zinc/46/54/18/202465418.db2.gz VGKCFLOLAJSSKX-UHFFFAOYSA-N 0 0 347.293 2.361 40 5 EEBBRN CCOC(=O)[C@H]1CCCN1C(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1 ZINC000277034318 201299988 /nfs/dbraw/zinc/29/99/88/201299988.db2.gz LHSFKUINOAVQFY-GFCCVEGCSA-N 0 0 336.344 2.080 40 5 EEBBRN Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(C2CCOCC2)CC1 ZINC000195577146 241024435 /nfs/dbraw/zinc/02/44/35/241024435.db2.gz RUZFMMJWVCMHPF-UHFFFAOYSA-N 0 0 333.388 2.456 40 5 EEBBRN Cc1ccc(C(=O)NCCC(=O)Nc2ccccn2)cc1[N+](=O)[O-] ZINC000045829276 204332327 /nfs/dbraw/zinc/33/23/27/204332327.db2.gz XDQAJMVGSZZYEP-UHFFFAOYSA-N 0 0 328.328 2.057 40 5 EEBBRN O=[N+]([O-])c1cccc(-n2c(O)c3c(c2O)Sc2ccccc2N3)c1 ZINC000102938088 285011122 /nfs/dbraw/zinc/01/11/22/285011122.db2.gz YLNRKQNNHZDAES-KBPBESRZSA-N 0 0 341.348 2.423 40 5 EEBBRN C/C=C/C=C/C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000096418807 218782248 /nfs/dbraw/zinc/78/22/48/218782248.db2.gz NGONZHBLUJILPL-MQQKCMAXSA-N 0 0 329.356 2.012 40 5 EEBBRN Cc1ccc(S(=O)(=O)NCCN(C)c2ccccc2)cc1[N+](=O)[O-] ZINC000010113739 462813676 /nfs/dbraw/zinc/81/36/76/462813676.db2.gz LHCOEZKJGQGYDN-UHFFFAOYSA-N 0 0 349.412 2.318 40 5 EEBBRN CCN(C(=O)c1ccc([N+](=O)[O-])cc1F)[C@H](C)CS(=O)(=O)CC ZINC000079041786 463182664 /nfs/dbraw/zinc/18/26/64/463182664.db2.gz PRGNGQGAWLBEBJ-SNVBAGLBSA-N 0 0 346.380 2.019 40 5 EEBBRN O=[N+]([O-])c1ccc(NCc2ccc(OCCO)cc2)c([N+](=O)[O-])c1 ZINC000058030205 463536341 /nfs/dbraw/zinc/53/63/41/463536341.db2.gz CDJNMXDRXVUBMR-UHFFFAOYSA-N 0 0 333.300 2.486 40 5 EEBBRN CSc1ccc(SCC(=O)N2CCN(C)CC2)c([N+](=O)[O-])c1 ZINC000019863580 202024457 /nfs/dbraw/zinc/02/44/57/202024457.db2.gz VCBBWFKWZPIKBW-UHFFFAOYSA-N 0 0 341.458 2.183 40 5 EEBBRN COC(=O)[C@H](CO)Nc1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000078604001 202397570 /nfs/dbraw/zinc/39/75/70/202397570.db2.gz XTLFZPCKYGWZIY-QMMMGPOBSA-N 0 0 342.657 2.213 40 5 EEBBRN Cc1cc([C@](C)(O)CNC(=O)Cc2ccc([N+](=O)[O-])cc2)c(C)o1 ZINC000080899083 202471837 /nfs/dbraw/zinc/47/18/37/202471837.db2.gz URUHVKZMTDVCCZ-QGZVFWFLSA-N 0 0 332.356 2.371 40 5 EEBBRN Cc1cc(C(=O)N2CCC[C@@H](C3(C)OCCO3)C2)c(N)c([N+](=O)[O-])c1 ZINC000182430766 201033680 /nfs/dbraw/zinc/03/36/80/201033680.db2.gz FNDJVJOYSRMYDN-GFCCVEGCSA-N 0 0 349.387 2.101 40 5 EEBBRN Cc1nc(NC(=O)[C@H]2CCCN2C(=O)C2CCCC2)ccc1[N+](=O)[O-] ZINC000133558927 205371250 /nfs/dbraw/zinc/37/12/50/205371250.db2.gz DYVDJCCUKATWLF-CQSZACIVSA-N 0 0 346.387 2.418 40 5 EEBBRN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NCCc1ccccn1 ZINC000096451004 218834229 /nfs/dbraw/zinc/83/42/29/218834229.db2.gz CVLDDWFOJFKYAN-UHFFFAOYSA-N 0 0 335.385 2.128 40 5 EEBBRN O=[N+]([O-])c1ccc(Nc2nc(Cl)nc(N3CCOCC3)n2)cc1 ZINC000004255052 462630597 /nfs/dbraw/zinc/63/05/97/462630597.db2.gz OHCCRVWFAQNOKT-UHFFFAOYSA-N 0 0 336.739 2.013 40 5 EEBBRN Cc1cc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C2)no1 ZINC000007928519 462758465 /nfs/dbraw/zinc/75/84/65/462758465.db2.gz REZXVADFUKGSNE-LLVKDONJSA-N 0 0 344.327 2.191 40 5 EEBBRN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(S(C)(=O)=O)cc1 ZINC000010967559 462826138 /nfs/dbraw/zinc/82/61/38/462826138.db2.gz OPTGGWRAFAQIAB-NSHDSACASA-N 0 0 348.380 2.489 40 5 EEBBRN COc1ccc(CNC(=O)COc2ccc([N+](=O)[O-])c(OC)c2)cc1 ZINC000066013788 462846082 /nfs/dbraw/zinc/84/60/82/462846082.db2.gz KYLQFAJQFODANB-UHFFFAOYSA-N 0 0 346.339 2.307 40 5 EEBBRN O=C(Nc1c(N2CCCC2)cccc1N1CCCC1)[C@@H]1CC1[N+](=O)[O-] ZINC000078877809 463158288 /nfs/dbraw/zinc/15/82/88/463158288.db2.gz UVJYYWODUVPXCO-CJNGLKHVSA-N 0 0 344.415 2.491 40 5 EEBBRN O=C(Nc1ccc(OCc2ccccn2)c(F)c1)[C@@H]1CC1[N+](=O)[O-] ZINC000096445204 463269969 /nfs/dbraw/zinc/26/99/69/463269969.db2.gz WUHBNHFIGNRSNU-TZMCWYRMSA-N 0 0 331.303 2.403 40 5 EEBBRN Cc1ccc([C@H]2CN(CCn3cc([N+](=O)[O-])cn3)CCO2)c(C)c1 ZINC000096445738 463271080 /nfs/dbraw/zinc/27/10/80/463271080.db2.gz UFNTYWSJRFAVCZ-QGZVFWFLSA-N 0 0 330.388 2.482 40 5 EEBBRN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)[C@@H]1CCCc2nn(C)cc21 ZINC000241132777 464450317 /nfs/dbraw/zinc/45/03/17/464450317.db2.gz JLOCOEJPBOMJHB-OAHLLOKOSA-N 0 0 342.399 2.449 40 5 EEBBRN CN(C(=O)CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C1=CCCC1 ZINC000040050365 535989400 /nfs/dbraw/zinc/98/94/00/535989400.db2.gz AIUGDGVPMHRMJO-UHFFFAOYSA-N 0 0 344.415 2.243 40 5 EEBBRN CC(=O)Nc1ccc(NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000022519038 202086957 /nfs/dbraw/zinc/08/69/57/202086957.db2.gz LJAYDBLYBGEMJZ-UHFFFAOYSA-N 0 0 349.368 2.495 40 5 EEBBRN CCCN(Cc1cnn(C)c1)C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000095393131 218325342 /nfs/dbraw/zinc/32/53/42/218325342.db2.gz ZFUUUXDUPIUKET-UHFFFAOYSA-N 0 0 331.376 2.450 40 5 EEBBRN O=C1OC(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])=N/C1=C/c1ccccn1 ZINC000005338727 284944586 /nfs/dbraw/zinc/94/45/86/284944586.db2.gz YZXXCXQZIIGRRS-KPKJPENVSA-N 0 0 340.251 2.243 40 5 EEBBRN O=[N+]([O-])c1cccc(-n2c(O)c3c(c2O)Sc2ccccc2N3)c1 ZINC000102938085 285011543 /nfs/dbraw/zinc/01/15/43/285011543.db2.gz YLNRKQNNHZDAES-UONOGXRCSA-N 0 0 341.348 2.423 40 5 EEBBRN O=C(NCc1cccnc1)c1ccc2nc3ccccc3c(=O)n2c1 ZINC000000422911 462561987 /nfs/dbraw/zinc/56/19/87/462561987.db2.gz BJKJIHHJSOSDSG-UHFFFAOYSA-N 0 0 330.347 2.173 40 5 EEBBRN COc1ccccc1NC(=O)COC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000003383883 462616881 /nfs/dbraw/zinc/61/68/81/462616881.db2.gz WTZRDRKFNFIEAC-UHFFFAOYSA-N 0 0 330.296 2.399 40 5 EEBBRN CC(=O)N1CCC2(CCN(C(=O)c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000063527648 462651903 /nfs/dbraw/zinc/65/19/03/462651903.db2.gz IGSPDRGJPQMIHF-UHFFFAOYSA-N 0 0 331.372 2.069 40 5 EEBBRN CCCC(=O)N1CSC[C@@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000066274207 462869902 /nfs/dbraw/zinc/86/99/02/462869902.db2.gz BCVOCHMJNUKJNP-GFCCVEGCSA-N 0 0 341.364 2.374 40 5 EEBBRN C[C@@H]1CN=C(N2CCN(Cc3csc([N+](=O)[O-])c3)CC2)S1 ZINC000096449196 463272340 /nfs/dbraw/zinc/27/23/40/463272340.db2.gz GXEMOXOWAQOAJW-SNVBAGLBSA-N 0 0 326.447 2.265 40 5 EEBBRN Cc1ccc(C(=O)NC[C@H](O)COc2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000058170923 463547447 /nfs/dbraw/zinc/54/74/47/463547447.db2.gz JYRKQZOPCBEPIQ-HNNXBMFYSA-N 0 0 344.367 2.381 40 5 EEBBRN C[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])nc1)Cc1cccs1 ZINC000195304525 464036919 /nfs/dbraw/zinc/03/69/19/464036919.db2.gz QCPBJZGJSFUXMA-JTQLQIEISA-N 0 0 341.414 2.208 40 5 EEBBRN CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@@](C)(O)c1ccco1 ZINC000225560931 464172653 /nfs/dbraw/zinc/17/26/53/464172653.db2.gz CTSHISQJDQAXSE-MRXNPFEDSA-N 0 0 334.328 2.224 40 5 EEBBRN CN1C[C@H](c2ccc(F)cc2)C([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12 ZINC000408567695 466681091 /nfs/dbraw/zinc/68/10/91/466681091.db2.gz QYYWYOLSMLAVAH-QBIMZIAESA-N 0 0 341.342 2.348 40 5 EEBBRN CN1C(=O)S/C(=C\c2cc([N+](=O)[O-])ccc2N2CCOCC2)C1=O ZINC000409336883 466686703 /nfs/dbraw/zinc/68/67/03/466686703.db2.gz VGVQHPXSVWEVFN-LCYFTJDESA-N 0 0 349.368 2.098 40 5 EEBBRN Cc1cccc(C(=O)NCCC(=O)Nc2ccccn2)c1[N+](=O)[O-] ZINC000045829158 204332660 /nfs/dbraw/zinc/33/26/60/204332660.db2.gz XJAWNRGFQWFFCX-UHFFFAOYSA-N 0 0 328.328 2.057 40 5 EEBBRN COc1cc([N+](=O)[O-])ccc1NC(=O)CSC1=NCCS1 ZINC000005043011 205748090 /nfs/dbraw/zinc/74/80/90/205748090.db2.gz YVHZVIGOONQFMI-UHFFFAOYSA-N 0 0 327.387 2.378 40 5 EEBBRN O=C(Nc1nccs1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000006335336 206515171 /nfs/dbraw/zinc/51/51/71/206515171.db2.gz QJQYGOKUEXDDNR-UHFFFAOYSA-N 0 0 334.357 2.140 40 5 EEBBRN COC(=O)[C@H]1C=C[C@@H](C)n2c(=O)c3cc4ccccc4cc3c(=O)n21 ZINC000005836259 277387335 /nfs/dbraw/zinc/38/73/35/277387335.db2.gz HJBFDSYSLGUEND-BDJLRTHQSA-N 0 0 336.347 2.161 40 5 EEBBRN CCN(c1ccncc1)S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000152637933 462561148 /nfs/dbraw/zinc/56/11/48/462561148.db2.gz NBWNNMGUARTQIL-UHFFFAOYSA-N 0 0 337.357 2.214 40 5 EEBBRN Cc1ccc(CNc2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)c(C)c1 ZINC000077306615 462965410 /nfs/dbraw/zinc/96/54/10/462965410.db2.gz RJJFHQMFDBKAOO-UHFFFAOYSA-N 0 0 335.385 2.471 40 5 EEBBRN Cn1cccc1[C@H]1CCCCN1C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000096445050 463269994 /nfs/dbraw/zinc/26/99/94/463269994.db2.gz YEJUWEDGVMJXKN-OAHLLOKOSA-N 0 0 331.376 2.274 40 5 EEBBRN O=c1ccc(C(F)(F)F)nn1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000096484282 463282930 /nfs/dbraw/zinc/28/29/30/463282930.db2.gz MWVMNCXMDJENNE-UHFFFAOYSA-N 0 0 340.217 2.360 40 5 EEBBRN COC(=O)c1cc(CN2CCN(c3ccccc3[N+](=O)[O-])CC2)c[nH]1 ZINC000096489451 463285283 /nfs/dbraw/zinc/28/52/83/463285283.db2.gz QVTFVTYWNWGIFR-UHFFFAOYSA-N 0 0 344.371 2.032 40 5 EEBBRN NS(=O)(=O)c1ccc(OCCc2ccccc2F)c([N+](=O)[O-])c1 ZINC000575419432 468143968 /nfs/dbraw/zinc/14/39/68/468143968.db2.gz TYSQCRWZOZUYOR-UHFFFAOYSA-N 0 0 340.332 2.003 40 5 EEBBRN O=[N+]([O-])c1cncc(Br)c1NCCCn1ccnc1 ZINC000091424933 203073758 /nfs/dbraw/zinc/07/37/58/203073758.db2.gz MAOURSCOHXSAIY-UHFFFAOYSA-N 0 0 326.154 2.451 40 5 EEBBRN O=c1ccc([N+](=O)[O-])cn1CCSc1n[nH]c(-c2cccs2)n1 ZINC000095446169 218390093 /nfs/dbraw/zinc/39/00/93/218390093.db2.gz FHCRVCLTBULTAU-UHFFFAOYSA-N 0 0 349.397 2.395 40 5 EEBBRN Cc1cccc(F)c1NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000155623822 323332726 /nfs/dbraw/zinc/33/27/26/323332726.db2.gz XRHPRXJBBBSSSL-UHFFFAOYSA-N 0 0 331.303 2.411 40 5 EEBBRN CCCCCn1cnc2cc(N3CCOCC3)c([N+](=O)[O-])cc2c1=O ZINC000005373515 462657349 /nfs/dbraw/zinc/65/73/49/462657349.db2.gz QSVLFPLAVMABJX-UHFFFAOYSA-N 0 0 346.387 2.332 40 5 EEBBRN COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)c2cccs2)c1 ZINC000007939943 462758641 /nfs/dbraw/zinc/75/86/41/462758641.db2.gz JAHRQMQHCMTIOO-UHFFFAOYSA-N 0 0 336.325 2.460 40 5 EEBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H](c1cnn(C)c1)N(C)C ZINC000096410583 463243538 /nfs/dbraw/zinc/24/35/38/463243538.db2.gz UJPAQKOMBAVVAO-HNNXBMFYSA-N 0 0 346.391 2.061 40 5 EEBBRN C[C@H]1CCCCN1C(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000059843384 463645808 /nfs/dbraw/zinc/64/58/08/463645808.db2.gz QYHOESGACHJOES-ZDUSSCGKSA-N 0 0 333.388 2.446 40 5 EEBBRN Cc1c(NC(=O)NCC[S@](=O)C(F)(F)F)cccc1[N+](=O)[O-] ZINC000585140930 468990841 /nfs/dbraw/zinc/99/08/41/468990841.db2.gz NCMRDOXVWACSKJ-QFIPXVFZSA-N 0 0 339.295 2.293 40 5 EEBBRN COC(=O)c1cc(C(=O)n2nc(N)c3ccccc32)cc([N+](=O)[O-])c1 ZINC000057963916 214467903 /nfs/dbraw/zinc/46/79/03/214467903.db2.gz KOANONALMSDOHF-UHFFFAOYSA-N 0 0 340.295 2.002 40 5 EEBBRN Cc1cc([N+](=O)[O-])ccc1NC(=O)COc1ccccc1C(N)=O ZINC000039210279 213231685 /nfs/dbraw/zinc/23/16/85/213231685.db2.gz LXKXFADPWBRSAM-UHFFFAOYSA-N 0 0 329.312 2.020 40 5 EEBBRN O=C(NCCc1nc(-c2ccco2)n[nH]1)c1ccc([N+](=O)[O-])cc1F ZINC000078912148 217145713 /nfs/dbraw/zinc/14/57/13/217145713.db2.gz HSIWYXDQICGQLT-UHFFFAOYSA-N 0 0 345.290 2.085 40 5 EEBBRN O=C(NCCCCc1ccc([N+](=O)[O-])cc1)c1nccn2ccnc12 ZINC000096437283 218817237 /nfs/dbraw/zinc/81/72/37/218817237.db2.gz RFXHYSCYRLVVMY-UHFFFAOYSA-N 0 0 339.355 2.390 40 5 EEBBRN O=c1c(Cl)c(Cl)cnn1-c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000001704388 285206050 /nfs/dbraw/zinc/20/60/50/285206050.db2.gz NCRBXEZKKTYTLZ-UHFFFAOYSA-N 0 0 331.071 2.356 40 5 EEBBRN O=C(n1ccnc1)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000010006599 275016563 /nfs/dbraw/zinc/01/65/63/275016563.db2.gz AZVGKQRYSDJWQX-UHFFFAOYSA-N 0 0 335.751 2.235 40 5 EEBBRN O=C(NCc1ccccc1)[C@@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1 ZINC000007927935 462758551 /nfs/dbraw/zinc/75/85/51/462758551.db2.gz ZMXNEECHAYVUSW-CQSZACIVSA-N 0 0 339.351 2.264 40 5 EEBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)C1(NC(C)=O)CCCCC1 ZINC000048302876 462890565 /nfs/dbraw/zinc/89/05/65/462890565.db2.gz NNNILPBNCCYEFG-UHFFFAOYSA-N 0 0 335.360 2.381 40 5 EEBBRN CC(=O)c1ccc(CNC(=O)Cc2ccccc2[N+](=O)[O-])nc1C ZINC000096486130 463283939 /nfs/dbraw/zinc/28/39/39/463283939.db2.gz ACOPLWHFNLLNAI-UHFFFAOYSA-N 0 0 327.340 2.360 40 5 EEBBRN C[C@]12C=C[C@](C)(O1)[C@@H]1C(=O)N(c3ccc(Cl)cc3[N+](=O)[O-])C(=O)[C@@H]12 ZINC000101359586 463377898 /nfs/dbraw/zinc/37/78/98/463377898.db2.gz BSCPAIODDOJQAN-HMEQZMJYSA-N 0 0 348.742 2.471 40 5 EEBBRN CC(C)(C)[C@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000279927723 464164391 /nfs/dbraw/zinc/16/43/91/464164391.db2.gz WPALAMJEZKKECE-CYBMUJFWSA-N 0 0 328.390 2.030 40 5 EEBBRN Cc1cc(C)n([C@H](C)C(=O)NCCOc2ccc([N+](=O)[O-])cc2)n1 ZINC000078771592 217117775 /nfs/dbraw/zinc/11/77/75/217117775.db2.gz CKXTUKYQAJZXQQ-CYBMUJFWSA-N 0 0 332.360 2.164 40 5 EEBBRN NC(=O)c1ccccc1OCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000006218903 210602292 /nfs/dbraw/zinc/60/22/92/210602292.db2.gz MKYLSAGEYALBHM-UHFFFAOYSA-N 0 0 349.730 2.365 40 5 EEBBRN O=C(COC(=O)c1cc([N+](=O)[O-])ccc1Cl)Nc1ccccn1 ZINC000409198142 257875028 /nfs/dbraw/zinc/87/50/28/257875028.db2.gz YAWGGEUWXZOVPF-UHFFFAOYSA-N 0 0 335.703 2.439 40 5 EEBBRN Cc1noc(C)c1CNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000087064324 462587481 /nfs/dbraw/zinc/58/74/81/462587481.db2.gz XLOHAZTWGFJQRQ-UHFFFAOYSA-N 0 0 330.344 2.468 40 5 EEBBRN C[C@H](c1ccccc1[N+](=O)[O-])N1CCC(N(C)S(C)(=O)=O)CC1 ZINC000096443292 463268451 /nfs/dbraw/zinc/26/84/51/463268451.db2.gz VFSSBOOZEXCPLO-GFCCVEGCSA-N 0 0 341.433 2.012 40 5 EEBBRN Cc1n[nH]c(C(=O)NC[C@H]2SCCc3ccccc32)c1[N+](=O)[O-] ZINC000096454662 463274602 /nfs/dbraw/zinc/27/46/02/463274602.db2.gz GXIRMYAAIYRPEV-GFCCVEGCSA-N 0 0 332.385 2.387 40 5 EEBBRN CCOc1ccccc1CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000030751561 463310610 /nfs/dbraw/zinc/31/06/10/463310610.db2.gz BUBKBWGTPSSHKK-UHFFFAOYSA-N 0 0 336.369 2.472 40 5 EEBBRN Cc1cccc(C(C)C)c1NC(=O)Cn1ccc(N)c([N+](=O)[O-])c1=O ZINC000585140741 468988557 /nfs/dbraw/zinc/98/85/57/468988557.db2.gz KHUACGFLLBVAEH-UHFFFAOYSA-N 0 0 344.371 2.409 40 5 EEBBRN CCOC(=O)CN(CC(=O)Nc1ccc(C)c([N+](=O)[O-])c1)C(C)C ZINC000049980787 214038429 /nfs/dbraw/zinc/03/84/29/214038429.db2.gz ILKGFKNTGBLCPF-UHFFFAOYSA-N 0 0 337.376 2.115 40 5 EEBBRN O=C(CNC(=O)c1cc(F)c(F)cc1[N+](=O)[O-])NC1CCCCC1 ZINC000067991714 215267826 /nfs/dbraw/zinc/26/78/26/215267826.db2.gz YDJRRVCHEFVGNH-UHFFFAOYSA-N 0 0 341.314 2.052 40 5 EEBBRN CCOc1ccc([C@@H](C)NC(=O)Cn2cc([N+](=O)[O-])cn2)cc1OC ZINC000040512592 213329257 /nfs/dbraw/zinc/32/92/57/213329257.db2.gz HBDSRRBQIJQXPS-LLVKDONJSA-N 0 0 348.359 2.076 40 5 EEBBRN CCOc1ccc(Cn2c(=O)onc2-c2ccc([N+](=O)[O-])cc2)nc1 ZINC000083596931 217547709 /nfs/dbraw/zinc/54/77/09/217547709.db2.gz XBUBHASJAQALON-UHFFFAOYSA-N 0 0 342.311 2.254 40 5 EEBBRN Cc1cc([N+](=O)[O-])c(N2C(=O)[C@@H]3[C@@H](C2=O)[C@@]2(C)C=C[C@@H]3O2)cc1C ZINC000222240728 291991531 /nfs/dbraw/zinc/99/15/31/291991531.db2.gz AIHLFYMHGAYKML-AYMQEEERSA-N 0 0 328.324 2.045 40 5 EEBBRN COc1cc([C@H]2NC(=O)NC(C)=C2[N+](=O)[O-])ccc1OC(F)F ZINC000000363080 462557058 /nfs/dbraw/zinc/55/70/58/462557058.db2.gz CIQUTGCPIKULDW-SNVBAGLBSA-N 0 0 329.259 2.159 40 5 EEBBRN Cc1cc(=O)[nH]c(SCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000006160934 462678969 /nfs/dbraw/zinc/67/89/69/462678969.db2.gz OMOXDNPNQDLGFK-UHFFFAOYSA-N 0 0 334.357 2.026 40 5 EEBBRN C=Cn1nnc(NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)n1 ZINC000010119649 462813233 /nfs/dbraw/zinc/81/32/33/462813233.db2.gz KPKQKFWVTVYBDE-UHFFFAOYSA-N 0 0 326.272 2.194 40 5 EEBBRN O=C(OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1cc(O)ccc1O ZINC000019075523 463013011 /nfs/dbraw/zinc/01/30/11/463013011.db2.gz OLSWYTUAEDABKU-UHFFFAOYSA-N 0 0 334.240 2.271 40 5 EEBBRN CCS(=O)(=O)C[C@@H](C)N(C)C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000079042083 463182725 /nfs/dbraw/zinc/18/27/25/463182725.db2.gz HKCRWUFQOFSBCO-SECBINFHSA-N 0 0 348.808 2.143 40 5 EEBBRN O=[N+]([O-])c1ccc(S(=O)(=O)CCn2ccc(C(F)(F)F)n2)cc1 ZINC000096501880 463291950 /nfs/dbraw/zinc/29/19/50/463291950.db2.gz MVZQEXDPEFMWKI-UHFFFAOYSA-N 0 0 349.290 2.284 40 5 EEBBRN CCOc1cc(N2CCN(Cc3nc(C)no3)CC2)ccc1[N+](=O)[O-] ZINC000080788373 463356014 /nfs/dbraw/zinc/35/60/14/463356014.db2.gz MSJKZMQKMNMKMY-UHFFFAOYSA-N 0 0 347.375 2.007 40 5 EEBBRN CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc([N+](=O)[O-])o2)C1=O ZINC000409017013 466684705 /nfs/dbraw/zinc/68/47/05/466684705.db2.gz UVHSDZPBTZKHCV-TUOMEMKJSA-N 0 0 340.313 2.176 40 5 EEBBRN CCOc1cc(NC(=O)NCc2cc[nH]n2)c([N+](=O)[O-])cc1OCC ZINC000040540281 213343618 /nfs/dbraw/zinc/34/36/18/213343618.db2.gz HDOSWDYNCIWCAV-UHFFFAOYSA-N 0 0 349.347 2.437 40 5 EEBBRN [NH3+][C@@H](Cc1ccc2nc3c4ccccc4c(=O)cc-3oc2c1)C(=O)[O-] ZINC000005851812 283550805 /nfs/dbraw/zinc/55/08/05/283550805.db2.gz NZELGSWHCAMWKR-ZDUSSCGKSA-N 0 0 334.331 2.400 40 5 EEBBRN O=C(NC(=S)Nc1ccc(CCO)cc1)c1cccc([N+](=O)[O-])c1 ZINC000005580744 210495332 /nfs/dbraw/zinc/49/53/32/210495332.db2.gz HLYIMBWVSLLPTL-UHFFFAOYSA-N 0 0 345.380 2.256 40 5 EEBBRN O=c1c(Cl)cc(Cl)cn1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000001729760 285205880 /nfs/dbraw/zinc/20/58/80/285205880.db2.gz UDASNQLEEQJBQY-UHFFFAOYSA-N 0 0 349.151 2.300 40 5 EEBBRN COC(=O)c1c(C)[nH]c2coc(=O)c-2c1-c1cccc([N+](=O)[O-])c1 ZINC000033853243 463425918 /nfs/dbraw/zinc/42/59/18/463425918.db2.gz UNUPIHCTFMPTBT-UHFFFAOYSA-N 0 0 328.280 2.422 40 5 EEBBRN O=[N+]([O-])c1ccc2c(c1)OCCOCCSCCOCCO2 ZINC000584906188 468960594 /nfs/dbraw/zinc/96/05/94/468960594.db2.gz IUJXXAFTBDCAGI-UHFFFAOYSA-N 0 0 329.374 2.132 40 5 EEBBRN O=C(Nc1cccnc1N1CCOCC1)c1cc(F)ccc1[N+](=O)[O-] ZINC000154665380 527447842 /nfs/dbraw/zinc/44/78/42/527447842.db2.gz QBTZMCGFQSCBRY-UHFFFAOYSA-N 0 0 346.318 2.218 40 5 EEBBRN CCCCNC(=O)C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000031524696 528494045 /nfs/dbraw/zinc/49/40/45/528494045.db2.gz SZKTUKSVIGHKBO-UHFFFAOYSA-N 0 0 333.388 2.363 40 5 EEBBRN C[C@H](OC(=O)[C@@H]1CC(=O)N(CC2CC2)C1)c1ccccc1[N+](=O)[O-] ZINC000078442463 217053307 /nfs/dbraw/zinc/05/33/07/217053307.db2.gz WSINKBKLEPENPJ-WCQYABFASA-N 0 0 332.356 2.458 40 5 EEBBRN CC(C)n1cnc(S(=O)(=O)N(C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000096484006 218860545 /nfs/dbraw/zinc/86/05/45/218860545.db2.gz UKBGCAKBNHRCLD-UHFFFAOYSA-N 0 0 338.389 2.193 40 5 EEBBRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC(=O)Nc2ccccc21 ZINC000016094432 292293669 /nfs/dbraw/zinc/29/36/69/292293669.db2.gz HUJMGNWFKIMQQJ-UHFFFAOYSA-N 0 0 347.352 2.051 40 5 EEBBRN Cc1cnc([C@H](C)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])s1 ZINC000186732323 323446109 /nfs/dbraw/zinc/44/61/09/323446109.db2.gz VKDZRMZHHDDSDQ-SECBINFHSA-N 0 0 341.414 2.442 40 5 EEBBRN COc1cccc(NC(=O)COC(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000003383730 462617515 /nfs/dbraw/zinc/61/75/15/462617515.db2.gz BIVCZNFOEGMLMB-UHFFFAOYSA-N 0 0 330.296 2.399 40 5 EEBBRN CCOCCN(C)C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000089225332 462655696 /nfs/dbraw/zinc/65/56/96/462655696.db2.gz AOVCFZQKXRJJKV-UHFFFAOYSA-N 0 0 331.166 2.466 40 5 EEBBRN CCc1nnc(SCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000007605456 462741282 /nfs/dbraw/zinc/74/12/82/462741282.db2.gz NVUHJDNTDFKYMO-UHFFFAOYSA-N 0 0 338.345 2.280 40 5 EEBBRN O=C(CCOc1ccccc1[N+](=O)[O-])NC[C@H]1Cc2ccccc2O1 ZINC000047625473 462806808 /nfs/dbraw/zinc/80/68/08/462806808.db2.gz RTGQNVGAZFVLJA-CQSZACIVSA-N 0 0 342.351 2.484 40 5 EEBBRN Cc1nn(C)c(NC2CCN(c3ccc(C)cn3)CC2)c1[N+](=O)[O-] ZINC000078305693 463102377 /nfs/dbraw/zinc/10/23/77/463102377.db2.gz YTMOBQIJPOPTEW-UHFFFAOYSA-N 0 0 330.392 2.421 40 5 EEBBRN Cc1ncsc1CN(C)S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000096406691 463240322 /nfs/dbraw/zinc/24/03/22/463240322.db2.gz UZTOKTXFOQJXIC-UHFFFAOYSA-N 0 0 341.414 2.489 40 5 EEBBRN COc1c(C(=O)N2CCN(C)CC2)cc(C(C)(C)C)cc1[N+](=O)[O-] ZINC000072206671 463482634 /nfs/dbraw/zinc/48/26/34/463482634.db2.gz NROKQUPOCUCRGO-UHFFFAOYSA-N 0 0 335.404 2.289 40 5 EEBBRN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCS[C@@H](C)CC1 ZINC000277004056 463838408 /nfs/dbraw/zinc/83/84/08/463838408.db2.gz WVYJKIULXATVKX-JTQLQIEISA-N 0 0 346.430 2.120 40 5 EEBBRN [NH2+]=C(Nc1ccc([N+](=O)[O-])cn1)N1CCN(Cc2ccccc2)CC1 ZINC000225237474 464154384 /nfs/dbraw/zinc/15/43/84/464154384.db2.gz ZUQJMDZGHHZHNV-UHFFFAOYSA-N 0 0 340.387 2.154 40 5 EEBBRN O=C(C[C@H]1Nc2ccccc2OC1=O)Nc1ccccc1[N+](=O)[O-] ZINC000010325455 211164629 /nfs/dbraw/zinc/16/46/29/211164629.db2.gz FLORNZKWFSUEIR-GFCCVEGCSA-N 0 0 327.296 2.323 40 5 EEBBRN O=[N+]([O-])c1ncn(C[C@H](O)Cn2c3ccccc3c3ccccc32)n1 ZINC000096484764 218861486 /nfs/dbraw/zinc/86/14/86/218861486.db2.gz WEVSTTPOBPSKFB-LBPRGKRZSA-N 0 0 337.339 2.355 40 5 EEBBRN COC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccccc2[N+](=O)[O-])C1=O ZINC000409096158 257880066 /nfs/dbraw/zinc/88/00/66/257880066.db2.gz JNVLHSNUCFPBCL-LBTPYSACSA-N 0 0 336.325 2.193 40 5 EEBBRN Cc1cc([N+](=O)[O-])c(N2C(=O)[C@H]3[C@H]4C=C[C@](C)(O4)[C@@H]3C2=O)cc1C ZINC000004803314 291991524 /nfs/dbraw/zinc/99/15/24/291991524.db2.gz AIHLFYMHGAYKML-FHIRATQRSA-N 0 0 328.324 2.045 40 5 EEBBRN COC[C@@H]1CN(c2cc(Br)ccc2[N+](=O)[O-])CCO1 ZINC000096476832 277254406 /nfs/dbraw/zinc/25/44/06/277254406.db2.gz AOPCBOIJVIAIDK-JTQLQIEISA-N 0 0 331.166 2.209 40 5 EEBBRN CC(C)[C@H](C(=O)N1CCc2c1cccc2[N+](=O)[O-])N1CCCC1=O ZINC000078149119 277864316 /nfs/dbraw/zinc/86/43/16/277864316.db2.gz NXABEMVJILVZGN-MRXNPFEDSA-N 0 0 331.372 2.131 40 5 EEBBRN Cc1cccc(OCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000008508332 462786592 /nfs/dbraw/zinc/78/65/92/462786592.db2.gz LPQOUWIAQCSRLV-UHFFFAOYSA-N 0 0 336.369 2.261 40 5 EEBBRN Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NCc2ccncc2)c1 ZINC000096500054 463290134 /nfs/dbraw/zinc/29/01/34/463290134.db2.gz IYEDSMDLHZXBDA-UHFFFAOYSA-N 0 0 341.776 2.430 40 5 EEBBRN C[C@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1Cl)C(=O)N1CCOCC1 ZINC000195558131 464076137 /nfs/dbraw/zinc/07/61/37/464076137.db2.gz KROFYSSXKJDCMB-QWRGUYRKSA-N 0 0 341.795 2.146 40 5 EEBBRN C[C@@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1Cl)C(=O)N1CCOCC1 ZINC000195558130 464076156 /nfs/dbraw/zinc/07/61/56/464076156.db2.gz KROFYSSXKJDCMB-WDEREUQCSA-N 0 0 341.795 2.146 40 5 EEBBRN Cc1ccc(NC(=O)CN2c3ccccc3C(=O)C2=O)cc1[N+](=O)[O-] ZINC000408582159 466680951 /nfs/dbraw/zinc/68/09/51/466680951.db2.gz MEONKXINNKLJDU-UHFFFAOYSA-N 0 0 339.307 2.071 40 5 EEBBRN Nc1ncc(C(=O)Nc2ccc(N3CCCC3)cc2)cc1[N+](=O)[O-] ZINC000585141331 468990555 /nfs/dbraw/zinc/99/05/55/468990555.db2.gz SUVLJKJYJQNIMR-UHFFFAOYSA-N 0 0 327.344 2.425 40 5 EEBBRN O=C(NCC(F)F)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174388473 534804509 /nfs/dbraw/zinc/80/45/09/534804509.db2.gz HXZIWNWDJGWSFD-UHFFFAOYSA-N 0 0 329.303 2.413 40 5 EEBBRN COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(C)c(C)n1 ZINC000004230910 210149079 /nfs/dbraw/zinc/14/90/79/210149079.db2.gz XFMGYJMLWYDEQY-UHFFFAOYSA-N 0 0 349.372 2.136 40 5 EEBBRN CCC(=O)N1CSC[C@@H]1C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000078461833 217056380 /nfs/dbraw/zinc/05/63/80/217056380.db2.gz FXXBREGLDNFDOO-LLVKDONJSA-N 0 0 343.792 2.498 40 5 EEBBRN COc1cccc([C@@H](N)c2nc(-c3ccccc3[N+](=O)[O-])n[nH]2)c1 ZINC000095533523 257701478 /nfs/dbraw/zinc/70/14/78/257701478.db2.gz LBKWAVDGHRSPGD-CQSZACIVSA-N 0 0 325.328 2.437 40 5 EEBBRN O=c1c2cnc(N3CCCC3)nc2ccn1-c1ccccc1[N+](=O)[O-] ZINC000019959475 280392823 /nfs/dbraw/zinc/39/28/23/280392823.db2.gz RGMSZVKDSRVMQN-UHFFFAOYSA-N 0 0 337.339 2.289 40 5 EEBBRN O=C(NCCSc1ccccn1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000020240023 463026212 /nfs/dbraw/zinc/02/62/12/463026212.db2.gz MNAUYRKNGDLPEP-UHFFFAOYSA-N 0 0 348.340 2.420 40 5 EEBBRN NS(=O)(=O)c1ccc2c(c1)N(Cc1ccccc1[N+](=O)[O-])CCC2 ZINC000096444959 463270040 /nfs/dbraw/zinc/27/00/40/463270040.db2.gz JQAJSWBEHWTWJN-UHFFFAOYSA-N 0 0 347.396 2.195 40 5 EEBBRN Nn1ccc2nc3ccn(-c4ccccc4Cl)c(=O)c3cc2c1=O ZINC000040398598 463455176 /nfs/dbraw/zinc/45/51/76/463455176.db2.gz HTJYCPGWXWVIDM-UHFFFAOYSA-N 0 0 338.754 2.068 40 5 EEBBRN O=[N+]([O-])c1ccc(Sc2nnnn2C[C@H]2CCCO2)c(F)c1 ZINC000042096979 463541257 /nfs/dbraw/zinc/54/12/57/463541257.db2.gz WJXXKCHFVPXZAV-SECBINFHSA-N 0 0 325.325 2.051 40 5 EEBBRN COc1cccc(C(=O)N(C)[C@H]2CCCc3c2cnn3C)c1[N+](=O)[O-] ZINC000194748221 463921953 /nfs/dbraw/zinc/92/19/53/463921953.db2.gz YCDJWDBMIGBJLG-ZDUSSCGKSA-N 0 0 344.371 2.487 40 5 EEBBRN Cc1cc([N+](=O)[O-])c(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2C=C[C@@]3(C)O2)cc1C ZINC000222240666 464128025 /nfs/dbraw/zinc/12/80/25/464128025.db2.gz AIHLFYMHGAYKML-QDEZUTFSSA-N 0 0 328.324 2.045 40 5 EEBBRN COC(=O)c1ccccc1Cn1c(=O)oc2cc([N+](=O)[O-])ccc21 ZINC000241401089 464452155 /nfs/dbraw/zinc/45/21/55/464452155.db2.gz NBCITOIXYBCSOC-UHFFFAOYSA-N 0 0 328.280 2.338 40 5 EEBBRN Cc1c(CC(=O)Nc2cncnc2-n2cccn2)cccc1[N+](=O)[O-] ZINC000181982977 464545008 /nfs/dbraw/zinc/54/50/08/464545008.db2.gz UPVAWHYEBWCRDN-UHFFFAOYSA-N 0 0 338.327 2.060 40 5 EEBBRN O=C(COc1cccc([N+](=O)[O-])c1)N1CC(=O)Nc2c(F)cccc21 ZINC000253427352 465011759 /nfs/dbraw/zinc/01/17/59/465011759.db2.gz YVOASLOAOJSHHS-UHFFFAOYSA-N 0 0 345.286 2.098 40 5 EEBBRN CC(=O)NCC(=O)Nc1ccc(OCc2ccccc2)cc1[N+](=O)[O-] ZINC000032604885 212816353 /nfs/dbraw/zinc/81/63/53/212816353.db2.gz RKVHPYSELLKPTB-UHFFFAOYSA-N 0 0 343.339 2.248 40 5 EEBBRN O=C(c1ncc(F)cc1F)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000192221717 239584091 /nfs/dbraw/zinc/58/40/91/239584091.db2.gz PWTKYKGWHDHDDI-UHFFFAOYSA-N 0 0 335.266 2.171 40 5 EEBBRN O=c1c([N+](=O)[O-])cc(Br)cn1CCO[C@@H]1CCCCO1 ZINC000193423930 240160795 /nfs/dbraw/zinc/16/07/95/240160795.db2.gz MIOGYLATNOKVFS-LLVKDONJSA-N 0 0 347.165 2.062 40 5 EEBBRN CCc1onc(C)c1C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000097097417 323320625 /nfs/dbraw/zinc/32/06/25/323320625.db2.gz WNGLOKVHCHMONT-NSHDSACASA-N 0 0 345.359 2.175 40 5 EEBBRN COc1ccc(CN(C)c2c(C)c(C)nc3ncnn32)cc1[N+](=O)[O-] ZINC000077215528 462954595 /nfs/dbraw/zinc/95/45/95/462954595.db2.gz LHHHLRZVRKZKBX-UHFFFAOYSA-N 0 0 342.359 2.294 40 5 EEBBRN CCOc1cc(C=Cc2[nH]c3ncnn3c(=O)c2[N+](=O)[O-])ccc1O ZINC000016688757 462986946 /nfs/dbraw/zinc/98/69/46/462986946.db2.gz QZUQIFTVYSHOJP-HWKANZROSA-N 0 0 343.299 2.013 40 5 EEBBRN NC(=O)N1CCCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000079353931 463208357 /nfs/dbraw/zinc/20/83/57/463208357.db2.gz HLHIZVVRNBCLFI-UHFFFAOYSA-N 0 0 332.282 2.204 40 5 EEBBRN O=C(CCn1cc([N+](=O)[O-])cn1)N1CC[C@H](Cc2ccccc2)C1 ZINC000096423011 463253607 /nfs/dbraw/zinc/25/36/07/463253607.db2.gz RCBJMJJIZASGCY-OAHLLOKOSA-N 0 0 328.372 2.273 40 5 EEBBRN CN(Cc1csc([N+](=O)[O-])c1)[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000081097834 463394414 /nfs/dbraw/zinc/39/44/14/463394414.db2.gz LQHCYTYGYFFYIP-NEPJUHHUSA-N 0 0 332.447 2.444 40 5 EEBBRN NC(=O)c1cc([N+](=O)[O-])cn(Cc2ccc(Cl)cc2Cl)c1=O ZINC000042649962 213522789 /nfs/dbraw/zinc/52/27/89/213522789.db2.gz LEXWVEIMFONJTO-UHFFFAOYSA-N 0 0 342.138 2.211 40 5 EEBBRN C[C@@]1(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CCCOC1 ZINC000390832981 323545754 /nfs/dbraw/zinc/54/57/54/323545754.db2.gz ABKVCGVCSLBUME-QGZVFWFLSA-N 0 0 333.388 2.494 40 5 EEBBRN COc1ccc(NC(=O)COC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000001943572 462588180 /nfs/dbraw/zinc/58/81/80/462588180.db2.gz WMHPQJTVKULOIP-UHFFFAOYSA-N 0 0 330.296 2.399 40 5 EEBBRN O=[N+]([O-])c1ccc([S@@](=O)c2ccc(Cl)cc2)c2c1no[n+]2[O-] ZINC000005339791 462655787 /nfs/dbraw/zinc/65/57/87/462655787.db2.gz DUZBREXPWPQFEE-JOCHJYFZSA-N 0 0 339.716 2.190 40 5 EEBBRN COc1cccc(C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2)c1 ZINC000006583472 462691045 /nfs/dbraw/zinc/69/10/45/462691045.db2.gz SRNIEZUXRVZADN-UHFFFAOYSA-N 0 0 330.296 2.399 40 5 EEBBRN CCOC(=O)c1cc(Cl)c(N2CCN(C)CC2)c([N+](=O)[O-])c1 ZINC000070462662 463376614 /nfs/dbraw/zinc/37/66/14/463376614.db2.gz YECATZKHIOABTC-UHFFFAOYSA-N 0 0 327.768 2.177 40 5 EEBBRN O=C(COc1c(F)cccc1[N+](=O)[O-])NC(=O)NC1CCCCC1 ZINC000185031631 463739347 /nfs/dbraw/zinc/73/93/47/463739347.db2.gz YGWHQPGSNXFTLV-UHFFFAOYSA-N 0 0 339.323 2.271 40 5 EEBBRN O=C(c1ccc([N+](=O)[O-])c(Cl)c1)N1CC[C@](O)(C(F)(F)F)C1 ZINC000186429090 463997807 /nfs/dbraw/zinc/99/78/07/463997807.db2.gz HGXAEEAXGRFFTI-LLVKDONJSA-N 0 0 338.669 2.388 40 5 EEBBRN O=C(NCC1CCOCC1)[C@H]1CCCN1c1ccccc1[N+](=O)[O-] ZINC000239667825 464443888 /nfs/dbraw/zinc/44/38/88/464443888.db2.gz BRNUDVTVCSJYSI-MRXNPFEDSA-N 0 0 333.388 2.106 40 5 EEBBRN O=[N+]([O-])c1ccc(NC[C@H]2CCS(=O)(=O)C2)c(C(F)(F)F)c1 ZINC000054815365 214256225 /nfs/dbraw/zinc/25/62/25/214256225.db2.gz OHCYRRHBJJNQBL-MRVPVSSYSA-N 0 0 338.307 2.460 40 5 EEBBRN O=[N+]([O-])c1ccc2c(c1N1CCCCCC1)[N-]C1(CCCCC1)[N+]2=O ZINC000036618877 296509623 /nfs/dbraw/zinc/50/96/23/296509623.db2.gz ZBYSPNJEYVEBGS-UHFFFAOYSA-N 0 0 344.415 2.258 40 5 EEBBRN COCc1cc([N+](=O)[O-])ccc1N1CCN(C(=O)c2ccoc2)CC1 ZINC000080552862 274053132 /nfs/dbraw/zinc/05/31/32/274053132.db2.gz PSPJZANYOBXPEI-UHFFFAOYSA-N 0 0 345.355 2.297 40 5 EEBBRN [NH3+][C@H](Cc1ccc2oc3cc(=O)c4ccccc4c-3nc2c1)C(=O)[O-] ZINC000003954666 279685065 /nfs/dbraw/zinc/68/50/65/279685065.db2.gz NSKWMQYYDIHNHO-CYBMUJFWSA-N 0 0 334.331 2.400 40 5 in-vitro EEBBRN CN(C)C(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1 ZINC000000355118 462556105 /nfs/dbraw/zinc/55/61/05/462556105.db2.gz WJMUZUCDVUKDPG-VBKFSLOCSA-N 0 0 339.351 2.454 40 5 EEBBRN COc1ccc(OC)c(NP2(=O)OCC(C)([N+](=O)[O-])CO2)c1 ZINC000001704619 462585622 /nfs/dbraw/zinc/58/56/22/462585622.db2.gz QTTAIYSJJQIXKS-UHFFFAOYSA-N 0 0 332.249 2.306 40 5 EEBBRN Cc1nn(CC(=O)/N=c2/sc3ccccc3n2C)c(C)c1[N+](=O)[O-] ZINC000006332137 462682842 /nfs/dbraw/zinc/68/28/42/462682842.db2.gz LPLBGUAPYZKOFQ-FOCLMDBBSA-N 0 0 345.384 2.089 40 5 EEBBRN C[C@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)[C@@H](O)c1ccccc1 ZINC000006851034 462709452 /nfs/dbraw/zinc/70/94/52/462709452.db2.gz FLJIOUDJQYTYIL-ZUZCIYMTSA-N 0 0 345.311 2.355 40 5 EEBBRN CN(Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000096444971 463270101 /nfs/dbraw/zinc/27/01/01/463270101.db2.gz SWJAAOSXVLFOHH-CABCVRRESA-N 0 0 326.418 2.382 40 5 EEBBRN CN(C)c1nc(CNC(=O)NCc2cccc([N+](=O)[O-])c2)cs1 ZINC000083199768 463539956 /nfs/dbraw/zinc/53/99/56/463539956.db2.gz JNNREDAUOZTENJ-UHFFFAOYSA-N 0 0 335.389 2.117 40 5 EEBBRN CCOC(=O)CN1C(=O)S/C(=C/c2ccc([N+](=O)[O-])cc2)C1=O ZINC000225658642 464178331 /nfs/dbraw/zinc/17/83/31/464178331.db2.gz PSMGGWASTFKEQB-YRNVUSSQSA-N 0 0 336.325 2.194 40 5 EEBBRN C[C@]1(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CCCOC1 ZINC000390832980 467413378 /nfs/dbraw/zinc/41/33/78/467413378.db2.gz ABKVCGVCSLBUME-KRWDZBQOSA-N 0 0 333.388 2.494 40 5 EEBBRN CC(C)(C)n1ncc2c1ncn(Cc1ccc([N+](=O)[O-])c(F)c1)c2=O ZINC000191566516 526939193 /nfs/dbraw/zinc/93/91/93/526939193.db2.gz MQQWZWAUVGZSEL-UHFFFAOYSA-N 0 0 345.334 2.444 40 5 EEBBRN COc1ccccc1CNC(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000066014121 215003620 /nfs/dbraw/zinc/00/36/20/215003620.db2.gz JBDSYAARIFCWHZ-UHFFFAOYSA-N 0 0 346.339 2.307 40 5 EEBBRN CC(=O)c1cc([N+](=O)[O-])ccc1NCC1(CS(C)(=O)=O)CC1 ZINC000225821922 242053649 /nfs/dbraw/zinc/05/36/49/242053649.db2.gz XHSXJQMVUFBLFG-UHFFFAOYSA-N 0 0 326.374 2.034 40 5 EEBBRN COc1ccc(C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1[N+](=O)[O-] ZINC000009141998 211044678 /nfs/dbraw/zinc/04/46/78/211044678.db2.gz CKLRKNADDVNUEV-UHFFFAOYSA-N 0 0 328.284 2.025 40 5 EEBBRN O=C(CCn1cc([N+](=O)[O-])cn1)NCc1coc(-c2ccccc2)n1 ZINC000096423237 218789670 /nfs/dbraw/zinc/78/96/70/218789670.db2.gz WEPVKGUYMCJSON-UHFFFAOYSA-N 0 0 341.327 2.153 40 5 EEBBRN Cc1nn(C)c(C)c1C[C@H](C)NC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000096462892 218845430 /nfs/dbraw/zinc/84/54/30/218845430.db2.gz PUZZXIRUFPRUPT-VIFPVBQESA-N 0 0 334.351 2.445 40 5 EEBBRN O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)F)cc([N+](=O)[O-])c1Cl ZINC000003111384 285097488 /nfs/dbraw/zinc/09/74/88/285097488.db2.gz YWQZDJFNONBJDM-UHFFFAOYSA-N 0 0 334.615 2.450 40 5 EEBBRN CCc1nn(C)c(NC2CCN(C(=O)c3ccoc3)CC2)c1[N+](=O)[O-] ZINC000092828018 462983316 /nfs/dbraw/zinc/98/33/16/462983316.db2.gz KDDDHGBKOXMJFB-UHFFFAOYSA-N 0 0 347.375 2.200 40 5 EEBBRN Cc1cc([N+](=O)[O-])cnc1NCCc1ccc(S(C)(=O)=O)cc1 ZINC000096429684 463259305 /nfs/dbraw/zinc/25/93/05/463259305.db2.gz UUYQYZMZGPKCJO-UHFFFAOYSA-N 0 0 335.385 2.356 40 5 EEBBRN O=C(c1cccc(O)c1)N1CCN(Cc2csc([N+](=O)[O-])c2)CC1 ZINC000096444950 463269419 /nfs/dbraw/zinc/26/94/19/463269419.db2.gz JGUVINPGAQDHGG-UHFFFAOYSA-N 0 0 347.396 2.320 40 5 EEBBRN O=C(NC1(C(=O)NCC2CC2)CCCC1)c1ccc([N+](=O)[O-])cc1F ZINC000096454580 463273899 /nfs/dbraw/zinc/27/38/99/463273899.db2.gz AVLHCUVHNWTLET-UHFFFAOYSA-N 0 0 349.362 2.303 40 5 EEBBRN Cc1cc(C[C@@H](C)Nc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)n[nH]1 ZINC000225536455 464169861 /nfs/dbraw/zinc/16/98/61/464169861.db2.gz CZCAQMIHPCPSJA-SECBINFHSA-N 0 0 338.389 2.073 40 5 EEBBRN O=C(Nc1nccs1)[C@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1 ZINC000408648435 534475979 /nfs/dbraw/zinc/47/59/79/534475979.db2.gz YEPWQXSQGAGWDE-VIFPVBQESA-N 0 0 332.341 2.043 40 5 EEBBRN CC(C)c1nc2c(n1C)CCN(C(=O)c1cc([N+](=O)[O-])ccc1N)C2 ZINC000191601462 528327396 /nfs/dbraw/zinc/32/73/96/528327396.db2.gz ZKZJUYTVZBSSII-UHFFFAOYSA-N 0 0 343.387 2.232 40 5 EEBBRN COc1cc(OCC(=O)NCCc2ccccc2)ccc1[N+](=O)[O-] ZINC000066012895 215003228 /nfs/dbraw/zinc/00/32/28/215003228.db2.gz RAYGFIWPJHURLG-UHFFFAOYSA-N 0 0 330.340 2.341 40 5 EEBBRN C[C@@H](OC(=O)[C@@H]1CC(=O)N(CC2CC2)C1)c1ccccc1[N+](=O)[O-] ZINC000078442466 217053733 /nfs/dbraw/zinc/05/37/33/217053733.db2.gz WSINKBKLEPENPJ-DGCLKSJQSA-N 0 0 332.356 2.458 40 5 EEBBRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCN(C)c1ccccc1 ZINC000010113746 211148285 /nfs/dbraw/zinc/14/82/85/211148285.db2.gz DZHACTQOJYLNRI-UHFFFAOYSA-N 0 0 349.412 2.318 40 5 EEBBRN C[C@]12C=C[C@H](O1)[C@H]1C(=O)N(c3ccc(Cl)cc3[N+](=O)[O-])C(=O)[C@@H]12 ZINC000004156701 462628840 /nfs/dbraw/zinc/62/88/40/462628840.db2.gz YSONTOHIUUJOAN-FUTJPDQTSA-N 0 0 334.715 2.081 40 5 EEBBRN O=C(N=c1[nH]c2ccccc2[nH]1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000005532481 462661324 /nfs/dbraw/zinc/66/13/24/462661324.db2.gz FGAMBDJKJDTGGG-UHFFFAOYSA-N 0 0 327.256 2.054 40 5 EEBBRN CC[C@H](C(=O)Nc1c(C)[nH]nc1C(F)(F)F)n1cc([N+](=O)[O-])cn1 ZINC000006265741 462680699 /nfs/dbraw/zinc/68/06/99/462680699.db2.gz CPHXPBBWDRRVGC-MRVPVSSYSA-N 0 0 346.269 2.431 40 5 EEBBRN CCOC(=O)C1=C(C)N(C)C(=S)N[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000007552096 462739993 /nfs/dbraw/zinc/73/99/93/462739993.db2.gz MGALDSVXGZJPEG-ZDUSSCGKSA-N 0 0 335.385 2.293 40 5 EEBBRN O=[N+]([O-])c1cccc(-c2nnn(C34C[C@H]5C[C@H](CC(O)(C5)C3)C4)n2)c1 ZINC000015930288 462966953 /nfs/dbraw/zinc/96/69/53/462966953.db2.gz FHASPGMHEQOTPG-GKUGFIGPSA-N 0 0 341.371 2.289 40 5 EEBBRN Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@@]1(C)CCCc2ccccc21 ZINC000095461578 463089713 /nfs/dbraw/zinc/08/97/13/463089713.db2.gz QXZLMUPEOHRKFP-QGZVFWFLSA-N 0 0 328.372 2.352 40 5 EEBBRN C[C@@H]1CCC[C@H](n2ccc3nc4ccn(N)c(=O)c4cc3c2=O)[C@@H]1C ZINC000040398616 463455797 /nfs/dbraw/zinc/45/57/97/463455797.db2.gz SGDONNJHAFBSFT-QFSBIZTOSA-N 0 0 338.411 2.422 40 5 EEBBRN Cc1ccc([N+](=O)[O-])c(OCCC(=O)NCc2ccc(=O)[nH]c2)c1 ZINC000281482268 464472363 /nfs/dbraw/zinc/47/23/63/464472363.db2.gz GXSOPVUPOLZIAT-UHFFFAOYSA-N 0 0 331.328 2.089 40 5 EEBBRN O=C(Nc1ccc(Nc2ncccn2)cc1)c1n[nH]cc1[N+](=O)[O-] ZINC000390835611 467414713 /nfs/dbraw/zinc/41/47/13/467414713.db2.gz SJKCOVLGJSTASQ-UHFFFAOYSA-N 0 0 325.288 2.104 40 5 EEBBRN CC(=O)N1CCC(NC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000040526297 213335980 /nfs/dbraw/zinc/33/59/80/213335980.db2.gz CLABNCBMDHKVAC-UHFFFAOYSA-N 0 0 340.767 2.381 40 5 EEBBRN Cc1ccc(N2C[C@@H](C(=O)Nc3nccs3)CC2=O)cc1[N+](=O)[O-] ZINC000408644365 238297718 /nfs/dbraw/zinc/29/77/18/238297718.db2.gz STJYIEFSMAYBHF-JTQLQIEISA-N 0 0 346.368 2.351 40 5 EEBBRN COc1ccc([N+](=O)[O-])c(C(=O)NCC[S@@](=O)c2ccccc2)c1 ZINC000078914671 217147405 /nfs/dbraw/zinc/14/74/05/217147405.db2.gz NDKKVXVUPSANCO-DEOSSOPVSA-N 0 0 348.380 2.141 40 5 EEBBRN COc1ccc(C(=O)NC(=S)NCc2ccccc2)cc1[N+](=O)[O-] ZINC000014257712 211725876 /nfs/dbraw/zinc/72/58/76/211725876.db2.gz IRPOVQANJCGIEN-UHFFFAOYSA-N 0 0 345.380 2.408 40 5 EEBBRN O=[N+]([O-])c1cnc(N[C@@H]2CCCc3c2cnn3CCO)c(Cl)c1 ZINC000095398902 218331478 /nfs/dbraw/zinc/33/14/78/218331478.db2.gz HZJKASONDZBINT-GFCCVEGCSA-N 0 0 337.767 2.322 40 5 EEBBRN O=[N+]([O-])c1ccc(F)cc1N1CCC(c2ccnn2CCO)CC1 ZINC000240423768 285118322 /nfs/dbraw/zinc/11/83/22/285118322.db2.gz FQRYTHHITXEXFR-UHFFFAOYSA-N 0 0 334.351 2.307 40 5 EEBBRN CCCCS(=O)(=O)Nc1cc(C(=O)OCC)cc([N+](=O)[O-])c1 ZINC000001655449 462585423 /nfs/dbraw/zinc/58/54/23/462585423.db2.gz NLANBLXIFVQSPC-UHFFFAOYSA-N 0 0 330.362 2.313 40 5 EEBBRN CN(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000013649199 462898213 /nfs/dbraw/zinc/89/82/13/462898213.db2.gz CDJIUNRPEYVYLA-UHFFFAOYSA-N 0 0 335.385 2.010 40 5 EEBBRN COc1cccc([C@@H](N)c2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)c1 ZINC000095533517 463106654 /nfs/dbraw/zinc/10/66/54/463106654.db2.gz IVKHRKAMPZRSEW-CQSZACIVSA-N 0 0 325.328 2.437 40 5 EEBBRN CC(C)n1cc(S(=O)(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)cn1 ZINC000096427750 463256911 /nfs/dbraw/zinc/25/69/11/463256911.db2.gz ZNRMLKBEKWENAD-NSHDSACASA-N 0 0 338.389 2.412 40 5 EEBBRN CCOc1ccc([C@H](C)NC(=O)Cn2cc([N+](=O)[O-])cn2)cc1OC ZINC000040512593 213329679 /nfs/dbraw/zinc/32/96/79/213329679.db2.gz HBDSRRBQIJQXPS-NSHDSACASA-N 0 0 348.359 2.076 40 5 EEBBRN CCN(CC)C(=O)N1CCC(NC(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000004888507 210313327 /nfs/dbraw/zinc/31/33/27/210313327.db2.gz ZGLKMJXFUKOUIR-UHFFFAOYSA-N 0 0 348.403 2.251 40 5 EEBBRN Cn1cc(N2CCC[C@H](Sc3ccc([N+](=O)[O-])cn3)C2=O)cn1 ZINC000159646847 225255329 /nfs/dbraw/zinc/25/53/29/225255329.db2.gz ASTTVMWRIYFFLS-LBPRGKRZSA-N 0 0 333.373 2.011 40 5 EEBBRN COc1cc(F)c([N+](=O)[O-])c(N2CCN(C[C@@H]3CCCO3)CC2)c1 ZINC000096453208 274095770 /nfs/dbraw/zinc/09/57/70/274095770.db2.gz KAJBZFKSQBKWHQ-LBPRGKRZSA-N 0 0 339.367 2.044 40 5 EEBBRN CCN1CCN(c2c(Cl)cc(C(=O)OC)cc2[N+](=O)[O-])CC1 ZINC000070462685 279373219 /nfs/dbraw/zinc/37/32/19/279373219.db2.gz UOVVFJRGUBXMKX-UHFFFAOYSA-N 0 0 327.768 2.177 40 5 EEBBRN Cc1ccc(C)c(S(=O)(=O)N2CCc3cnccc32)c1[N+](=O)[O-] ZINC000190054400 301553943 /nfs/dbraw/zinc/55/39/43/301553943.db2.gz WDTANAKDAWBWFS-UHFFFAOYSA-N 0 0 333.369 2.358 40 5 EEBBRN Cc1nc(NC(=O)[C@@H]2CCCN2C(=O)C2CCCC2)ccc1[N+](=O)[O-] ZINC000133558756 462944836 /nfs/dbraw/zinc/94/48/36/462944836.db2.gz DYVDJCCUKATWLF-AWEZNQCLSA-N 0 0 346.387 2.418 40 5 EEBBRN CC(C)C1(C(C)C)NC(=O)N(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1=O ZINC000282435401 464818044 /nfs/dbraw/zinc/81/80/44/464818044.db2.gz NGFFEXPLVYEUBG-AWEZNQCLSA-N 0 0 349.387 2.231 40 5 EEBBRN O=C(CCNc1ccccc1[N+](=O)[O-])N1CCC[C@@H](n2cccn2)C1 ZINC000253392869 464997980 /nfs/dbraw/zinc/99/79/80/464997980.db2.gz HRJSGYZDSUMFKZ-CQSZACIVSA-N 0 0 343.387 2.457 40 5 EEBBRN C[C@@H]1CCC[C@H](n2ccc3nc4ccn(N)c(=O)c4cc3c2=O)[C@H]1C ZINC000253574166 465018783 /nfs/dbraw/zinc/01/87/83/465018783.db2.gz SGDONNJHAFBSFT-PEBVRCNWSA-N 0 0 338.411 2.422 40 5 EEBBRN Cc1ccccc1OCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000056139366 214360656 /nfs/dbraw/zinc/36/06/56/214360656.db2.gz FFHPCFGELKIHRR-UHFFFAOYSA-N 0 0 336.369 2.261 40 5 EEBBRN O=[N+]([O-])c1ccccc1S(=O)(=O)NCCOCc1ccccc1 ZINC000080799466 217333281 /nfs/dbraw/zinc/33/32/81/217333281.db2.gz CJIQXRMDTPHBHN-UHFFFAOYSA-N 0 0 336.369 2.090 40 5 EEBBRN C[C@H](Nc1ccn(CCS(C)(=O)=O)n1)c1ccccc1[N+](=O)[O-] ZINC000086164612 278285784 /nfs/dbraw/zinc/28/57/84/278285784.db2.gz QYJXKVCNTGBYGP-NSHDSACASA-N 0 0 338.389 2.009 40 5 EEBBRN O=[N+]([O-])c1c(Sc2ncccn2)ncnc1Sc1ncccn1 ZINC000001570384 462584067 /nfs/dbraw/zinc/58/40/67/462584067.db2.gz UNWIJFQLDBRDJI-UHFFFAOYSA-N 0 0 345.369 2.267 40 5 EEBBRN O=C(NN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1ccc(Cl)cc1 ZINC000007881736 462755699 /nfs/dbraw/zinc/75/56/99/462755699.db2.gz YDAHVEVHBJWQNZ-UHFFFAOYSA-N 0 0 345.698 2.189 40 5 EEBBRN O=C(Cc1ccccc1[N+](=O)[O-])N1CCN(Cc2ccccc2)CC1 ZINC000023042747 463059984 /nfs/dbraw/zinc/05/99/84/463059984.db2.gz VFGAPBQBFAEFMF-UHFFFAOYSA-N 0 0 339.395 2.482 40 5 EEBBRN CC(=O)N[C@H]1CCCN(c2cc(Br)ccc2[N+](=O)[O-])C1 ZINC000095421296 463081890 /nfs/dbraw/zinc/08/18/90/463081890.db2.gz STQSSUMWSGMRRG-NSHDSACASA-N 0 0 342.193 2.462 40 5 EEBBRN Cc1c(F)cc(S(=O)(=O)N(C)Cc2cscn2)cc1[N+](=O)[O-] ZINC000097097254 463322342 /nfs/dbraw/zinc/32/23/42/463322342.db2.gz IDUAONSITKBNGJ-UHFFFAOYSA-N 0 0 345.377 2.320 40 5 EEBBRN O=[N+]([O-])c1ccc(NC[C@@H]2CCS(=O)(=O)C2)c(C(F)(F)F)c1 ZINC000054815362 214256265 /nfs/dbraw/zinc/25/62/65/214256265.db2.gz OHCYRRHBJJNQBL-QMMMGPOBSA-N 0 0 338.307 2.460 40 5 EEBBRN CCN(CC(=O)NCCCOC(C)C)Cc1ccccc1[N+](=O)[O-] ZINC000040087777 213260041 /nfs/dbraw/zinc/26/00/41/213260041.db2.gz LTAGBZDNBWBZED-UHFFFAOYSA-N 0 0 337.420 2.348 40 5 EEBBRN O=c1c(Br)cn(CCO[C@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000193423891 240159787 /nfs/dbraw/zinc/15/97/87/240159787.db2.gz GHUJXEOYUIFHGL-NSHDSACASA-N 0 0 347.165 2.062 40 5 EEBBRN CN(c1cccc(C(=O)Nc2cccc([N+](=O)[O-])c2)c1)S(C)(=O)=O ZINC000222411342 241514998 /nfs/dbraw/zinc/51/49/98/241514998.db2.gz PKLQWDLVZAIRDR-UHFFFAOYSA-N 0 0 349.368 2.243 40 5 EEBBRN COc1ccc(-c2nc(Cc3noc([C@@H]4CC4[N+](=O)[O-])n3)co2)cc1 ZINC000078773961 217117619 /nfs/dbraw/zinc/11/76/19/217117619.db2.gz HFTRTKPQKPGEEC-OLZOCXBDSA-N 0 0 342.311 2.457 40 5 EEBBRN Cc1nc([N+](=O)[O-])cn1CC(=O)N1c2ccccc2N(C)CC[C@H]1C ZINC000096425368 218794410 /nfs/dbraw/zinc/79/44/10/218794410.db2.gz IQKCCAKXKKMLEM-GFCCVEGCSA-N 0 0 343.387 2.361 40 5 EEBBRN CCOc1cc(N2CCC[C@@H]2CN2CCOCC2)ccc1[N+](=O)[O-] ZINC000160403880 276370373 /nfs/dbraw/zinc/37/03/73/276370373.db2.gz WNOOLMVKCHJTOR-OAHLLOKOSA-N 0 0 335.404 2.295 40 5 EEBBRN CCOC(=O)C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)C(=O)OCC ZINC000001752345 462586094 /nfs/dbraw/zinc/58/60/94/462586094.db2.gz CWOWTBUJIGHWHF-UHFFFAOYSA-N 0 0 334.328 2.361 40 5 EEBBRN Cc1nc(CNS(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)oc1C ZINC000096451022 463272846 /nfs/dbraw/zinc/27/28/46/463272846.db2.gz FLMMPLXSLQTZFP-UHFFFAOYSA-N 0 0 339.373 2.295 40 5 EEBBRN Nn1ccc2nc3ccn(-c4ccc(Cl)cc4)c(=O)c3cc2c1=O ZINC000040398600 463456036 /nfs/dbraw/zinc/45/60/36/463456036.db2.gz FVIHYTCXQFYODJ-UHFFFAOYSA-N 0 0 338.754 2.068 40 5 EEBBRN CCCC(=O)N1CCN(c2ccc(C(=O)OCC)cc2[N+](=O)[O-])CC1 ZINC000408576204 466681298 /nfs/dbraw/zinc/68/12/98/466681298.db2.gz VWPJDJNVAQOHHR-UHFFFAOYSA-N 0 0 349.387 2.220 40 5 EEBBRN CNC(=S)Nc1ccc2nc3cc4c(cc3nc2c1)OCCO4 ZINC000408991387 466684221 /nfs/dbraw/zinc/68/42/21/466684221.db2.gz NREZBRYKNIERGH-UHFFFAOYSA-N 0 0 326.381 2.470 40 5 EEBBRN C[C@](O)(CNC(=O)NCCc1ccccc1[N+](=O)[O-])c1ccsc1 ZINC000075108467 216557475 /nfs/dbraw/zinc/55/74/75/216557475.db2.gz MKSJRFLUFKKQEK-INIZCTEOSA-N 0 0 349.412 2.406 40 5 EEBBRN O=c1c([N+](=O)[O-])cc(Br)cn1CCO[C@H]1CCCCO1 ZINC000193423939 240160224 /nfs/dbraw/zinc/16/02/24/240160224.db2.gz MIOGYLATNOKVFS-NSHDSACASA-N 0 0 347.165 2.062 40 5 EEBBRN O=[N+]([O-])c1cccc(CS(=O)(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000020453267 212130683 /nfs/dbraw/zinc/13/06/83/212130683.db2.gz IXIBYZPOQUDFKO-UHFFFAOYSA-N 0 0 337.313 2.445 40 5 EEBBRN CN(CCC(F)(F)F)c1ccc([N+](=O)[O-])c(S(C)(=O)=O)c1 ZINC000091458641 218008729 /nfs/dbraw/zinc/00/87/29/218008729.db2.gz OYMOHUMUBWKFDX-UHFFFAOYSA-N 0 0 326.296 2.387 40 5 EEBBRN CN(c1ncccc1[N+](=O)[O-])[C@@H]1CCN(c2ccccc2F)C1=O ZINC000079031436 257835247 /nfs/dbraw/zinc/83/52/47/257835247.db2.gz BBOCPRVPDASCJE-CQSZACIVSA-N 0 0 330.319 2.371 40 5 EEBBRN O=C1OC(c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)=N/C1=C/c1ccccn1 ZINC000005338724 275026582 /nfs/dbraw/zinc/02/65/82/275026582.db2.gz OSTAGRBCRRGICC-NTUHNPAUSA-N 0 0 340.251 2.243 40 5 EEBBRN O=c1c(Br)cn(Cc2cncc(F)c2)cc1[N+](=O)[O-] ZINC000390833671 323545642 /nfs/dbraw/zinc/54/56/42/323545642.db2.gz LGPCOERGIAOMFI-UHFFFAOYSA-N 0 0 328.097 2.101 40 5 EEBBRN N[C@@H](c1nc(COc2cccc([N+](=O)[O-])c2)n[nH]1)c1ccc(F)cc1 ZINC000095533318 463107524 /nfs/dbraw/zinc/10/75/24/463107524.db2.gz NPRWJWZVOZKGSC-OAHLLOKOSA-N 0 0 343.318 2.479 40 5 EEBBRN Cc1cc(C(=O)NCCCNc2ccc(C)cc2[N+](=O)[O-])nn1C ZINC000096416810 463249568 /nfs/dbraw/zinc/24/95/68/463249568.db2.gz QGYXZLGARKOFHK-UHFFFAOYSA-N 0 0 331.376 2.177 40 5 EEBBRN CCS(=O)(=O)C(Cl)(Cl)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000096519656 463293595 /nfs/dbraw/zinc/29/35/95/463293595.db2.gz XHKUZDVOFFQADS-SECBINFHSA-N 0 0 328.173 2.194 40 5 EEBBRN CC1(C)CC(=O)C2=C(c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)NN[C@H]2C1 ZINC000228921027 464193269 /nfs/dbraw/zinc/19/32/69/464193269.db2.gz JWSBTKMAGUGBIF-WCQYABFASA-N 0 0 332.316 2.184 40 5 EEBBRN CC(C)OC(=O)CN1C(=O)S/C(=C/c2ccc([N+](=O)[O-])o2)C1=O ZINC000205709980 539656683 /nfs/dbraw/zinc/65/66/83/539656683.db2.gz JCFRJNUXUXQTPN-WEVVVXLNSA-N 0 0 340.313 2.176 40 5 EEBBRN O=c1ccc([N+](=O)[O-])cn1CCSc1ncn(-c2ccccc2)n1 ZINC000095435766 218378515 /nfs/dbraw/zinc/37/85/15/218378515.db2.gz HXSTZKQYDUPDQR-UHFFFAOYSA-N 0 0 343.368 2.130 40 5 EEBBRN Cc1n[nH]c(C(=O)NC[C@@H]2SCCc3ccccc32)c1[N+](=O)[O-] ZINC000096454663 218838597 /nfs/dbraw/zinc/83/85/97/218838597.db2.gz GXIRMYAAIYRPEV-LBPRGKRZSA-N 0 0 332.385 2.387 40 5 EEBBRN CCOC(=O)C1=C(C)NC(SC)=N[C@@H]1c1ccc([N+](=O)[O-])o1 ZINC000408730539 257890344 /nfs/dbraw/zinc/89/03/44/257890344.db2.gz HQZOAEKBFUELNF-LLVKDONJSA-N 0 0 325.346 2.388 40 5 EEBBRN COC(=O)c1c([N+](=O)[O-])c(Br)c(C)c(OC)c1[N+](=O)[O-] ZINC000005535993 277148427 /nfs/dbraw/zinc/14/84/27/277148427.db2.gz IDZYKZJGLLVCFN-UHFFFAOYSA-N 0 0 349.093 2.369 40 5 EEBBRN C[C@@H]1[C@H](C)[S@@](=O)CCN1c1ncc([N+](=O)[O-])cc1Br ZINC000096452879 278095693 /nfs/dbraw/zinc/09/56/93/278095693.db2.gz YPXPHIZKTYCYIU-MMVHXTGXSA-N 0 0 348.222 2.098 40 5 EEBBRN O=C1C[C@@H](c2ccc(-c3ccccc3[N+](=O)[O-])o2)n2ncnc2N1 ZINC000006251897 462680435 /nfs/dbraw/zinc/68/04/35/462680435.db2.gz WQOZORJELPQDGV-NSHDSACASA-N 0 0 325.284 2.378 40 5 EEBBRN O=C1C[C@H](c2ccc(-c3ccccc3[N+](=O)[O-])o2)n2ncnc2N1 ZINC000006251898 462680446 /nfs/dbraw/zinc/68/04/46/462680446.db2.gz WQOZORJELPQDGV-LLVKDONJSA-N 0 0 325.284 2.378 40 5 EEBBRN C[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)CN1C1CC1 ZINC000225536226 464169337 /nfs/dbraw/zinc/16/93/37/464169337.db2.gz AEVADVHLNVVUPE-GHMZBOCLSA-N 0 0 339.417 2.035 40 5 EEBBRN Cc1nn(C)c(N2CCC[C@H](c3noc(C4CC4)n3)C2)c1[N+](=O)[O-] ZINC000253429555 465012639 /nfs/dbraw/zinc/01/26/39/465012639.db2.gz SWJVRMNUKRSZEB-NSHDSACASA-N 0 0 332.364 2.281 40 5 EEBBRN O=C(Nc1nccs1)[C@@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1 ZINC000408648431 534475586 /nfs/dbraw/zinc/47/55/86/534475586.db2.gz YEPWQXSQGAGWDE-SECBINFHSA-N 0 0 332.341 2.043 40 5 EEBBRN O=C(NCc1cccc2c1OCCO2)c1cc(F)ccc1[N+](=O)[O-] ZINC000067027623 215105228 /nfs/dbraw/zinc/10/52/28/215105228.db2.gz TZKYPPDAYSBIBX-UHFFFAOYSA-N 0 0 332.287 2.435 40 5 EEBBRN CC(=O)Nc1ccc(OS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000003098928 209963991 /nfs/dbraw/zinc/96/39/91/209963991.db2.gz DERKUGPZDAIWMX-UHFFFAOYSA-N 0 0 336.325 2.321 40 5 EEBBRN CC(C)CCn1ccc2nc3ccn(-c4cc[nH]n4)c(=O)c3cc2c1=O ZINC000040399039 213297436 /nfs/dbraw/zinc/29/74/36/213297436.db2.gz XHWUKAKHVZJJDX-UHFFFAOYSA-N 0 0 349.394 2.470 40 5 EEBBRN NC(=O)[C@@H]1Cc2ccccc2CN1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000253420770 283333921 /nfs/dbraw/zinc/33/39/21/283333921.db2.gz LOKCVSVTNYGGRH-INIZCTEOSA-N 0 0 329.331 2.146 40 5 EEBBRN Cc1cc(C)n(-c2ccc(-c3noc([C@@H]4CC4[N+](=O)[O-])n3)cn2)n1 ZINC000078774650 217118746 /nfs/dbraw/zinc/11/87/46/217118746.db2.gz RUOBFMPUOJNROO-NEPJUHHUSA-N 0 0 326.316 2.067 40 5 EEBBRN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H](c2cccnc2)C2CC2)cc1 ZINC000330032436 258002478 /nfs/dbraw/zinc/00/24/78/258002478.db2.gz NAGSBMWJYFJTBJ-OAHLLOKOSA-N 0 0 333.369 2.419 40 5 EEBBRN [NH2+]=C1N=C2[N-]C(=O)c3ccccc3N2[C@@H](c2cccc([N+](=O)[O-])c2)N1 ZINC000022241628 463047133 /nfs/dbraw/zinc/04/71/33/463047133.db2.gz LHZWRAZLUILUJU-ZDUSSCGKSA-N 0 0 336.311 2.103 40 5 EEBBRN Cc1[nH]nc(C(=O)N2Cc3ccccc3N(C)C[C@H]2C)c1[N+](=O)[O-] ZINC000096459407 463276788 /nfs/dbraw/zinc/27/67/88/463276788.db2.gz ZVIBDEAXCGRGAZ-SNVBAGLBSA-N 0 0 329.360 2.107 40 5 EEBBRN CCN(Cc1ccccn1)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000096483679 463282277 /nfs/dbraw/zinc/28/22/77/463282277.db2.gz DTBKXJAIBJZSNG-UHFFFAOYSA-N 0 0 335.385 2.342 40 5 EEBBRN Cc1ccc(NC(=O)N2CCN(c3cnccn3)CC2)cc1[N+](=O)[O-] ZINC000040525421 463460638 /nfs/dbraw/zinc/46/06/38/463460638.db2.gz DGRNWESBVJSRNE-UHFFFAOYSA-N 0 0 342.359 2.047 40 5 EEBBRN O=[N+]([O-])c1ccc[nH]c1=NNC(=S)NCCCc1ccccc1 ZINC000408588816 466682233 /nfs/dbraw/zinc/68/22/33/466682233.db2.gz ZFZAKSACYXSZFC-UHFFFAOYSA-N 0 0 331.401 2.414 40 5 EEBBRN O=C(N[C@H](Cn1cncn1)c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000078551926 295836435 /nfs/dbraw/zinc/83/64/35/295836435.db2.gz HRVOJUUIPJWRCT-OAHLLOKOSA-N 0 0 337.339 2.358 40 5 EEBBRN COc1ccc([N+](=O)[O-])c(C(=O)NCC[S@](=O)c2ccccc2)c1 ZINC000078914678 217147360 /nfs/dbraw/zinc/14/73/60/217147360.db2.gz NDKKVXVUPSANCO-XMMPIXPASA-N 0 0 348.380 2.141 40 5 EEBBRN COC(=O)c1ccccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000004833224 210292100 /nfs/dbraw/zinc/29/21/00/210292100.db2.gz ZOSBJPLWYHRJDB-UHFFFAOYSA-N 0 0 330.296 2.399 40 5 EEBBRN O=C(CN1CCN(c2ccccc2)CC1)Nc1cccc([N+](=O)[O-])c1 ZINC000057460466 132201009 /nfs/dbraw/zinc/20/10/09/132201009.db2.gz HPOGXAZMTVXJLH-UHFFFAOYSA-N 0 0 340.383 2.356 40 5 EEBBRN CC(=O)[C@H]1[C@H](c2cccc([N+](=O)[O-])c2)c2c(C)n[nH]c2C[C@@]1(C)O ZINC000004813405 278238222 /nfs/dbraw/zinc/23/82/22/278238222.db2.gz WQMILBNFFUVBET-IXDOHACOSA-N 0 0 329.356 2.271 40 5 EEBBRN O=C(CCNC(=O)c1ccc(Cl)cc1[N+](=O)[O-])Nc1ccccn1 ZINC000045829432 462623029 /nfs/dbraw/zinc/62/30/29/462623029.db2.gz SGCHPMJJNLNCHN-UHFFFAOYSA-N 0 0 348.746 2.402 40 5 EEBBRN Cc1c(C(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)cccc1[N+](=O)[O-] ZINC000047081142 462741719 /nfs/dbraw/zinc/74/17/19/462741719.db2.gz WIBTZLGJCDAPSV-UHFFFAOYSA-N 0 0 340.339 2.346 40 5 EEBBRN O=C(Cc1ccc([N+](=O)[O-])cc1)NC[C@]1(O)CCCc2ccccc21 ZINC000096427011 463257207 /nfs/dbraw/zinc/25/72/07/463257207.db2.gz CZWJFBGKFXEZFH-LJQANCHMSA-N 0 0 340.379 2.478 40 5 EEBBRN C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC(N(C)S(C)(=O)=O)CC1 ZINC000096443291 463268891 /nfs/dbraw/zinc/26/88/91/463268891.db2.gz VFSSBOOZEXCPLO-LBPRGKRZSA-N 0 0 341.433 2.012 40 5 EEBBRN CS[C@H](CO)[C@H](C)Nc1ncc([N+](=O)[O-])cc1Br ZINC000096452885 463273105 /nfs/dbraw/zinc/27/31/05/463273105.db2.gz ZIGRFFZTJZNCLH-IMTBSYHQSA-N 0 0 336.211 2.277 40 5 EEBBRN Cc1ccc(CCNc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)cn1 ZINC000225535768 464168956 /nfs/dbraw/zinc/16/89/56/464168956.db2.gz CMEFTUVLRZYYKD-UHFFFAOYSA-N 0 0 335.385 2.356 40 5 EEBBRN C[C@H](Cn1ncc2ccccc2c1=O)Nc1ncc([N+](=O)[O-])s1 ZINC000192516178 464940896 /nfs/dbraw/zinc/94/08/96/464940896.db2.gz IWFHETGCHNEUOV-SECBINFHSA-N 0 0 331.357 2.262 40 5 EEBBRN CCc1nnc(SCC(=O)Nc2ccc([N+](=O)[O-])c(OC)c2)[nH]1 ZINC000408557177 466680842 /nfs/dbraw/zinc/68/08/42/466680842.db2.gz NIXFHTLBLZXXRT-UHFFFAOYSA-N 0 0 337.361 2.015 40 5 EEBBRN CCN1C(=O)N/C(=C/c2cccn2-c2cccc([N+](=O)[O-])c2)C1=O ZINC000409232053 466686939 /nfs/dbraw/zinc/68/69/39/466686939.db2.gz GTKGJLOLBFPQRU-GXDHUFHOSA-N 0 0 326.312 2.298 40 5 EEBBRN CCOC(=O)COc1c(C)c(F)c(Br)nc1[N+](=O)[O-] ZINC000220298484 1276920323 /nfs/dbraw/zinc/92/03/23/1276920323.db2.gz YBWKKGWHZNRWNJ-UHFFFAOYSA-N 0 0 337.101 2.142 40 5 EEBBRN Cc1cc([C@@](C)(O)CNC(=O)Cc2ccc([N+](=O)[O-])cc2)c(C)o1 ZINC000080899094 217338186 /nfs/dbraw/zinc/33/81/86/217338186.db2.gz URUHVKZMTDVCCZ-KRWDZBQOSA-N 0 0 332.356 2.371 40 5 EEBBRN Cc1nc(CC(=O)N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cs1 ZINC000096411755 218766554 /nfs/dbraw/zinc/76/65/54/218766554.db2.gz WXXCWFGCUSUAFZ-NSHDSACASA-N 0 0 347.400 2.010 40 5 EEBBRN CCc1ccc([C@@H]2C[C@H](C)CCN2C(=O)Cn2cnc([N+](=O)[O-])n2)o1 ZINC000096433262 218809221 /nfs/dbraw/zinc/80/92/21/218809221.db2.gz HPLPAIQGVWSJEF-YPMHNXCESA-N 0 0 347.375 2.342 40 5 EEBBRN NS(=O)(=O)c1ccc([N+](=O)[O-])cc1NCC1(C2CC2)CCC1 ZINC000096501144 218877587 /nfs/dbraw/zinc/87/75/87/218877587.db2.gz YZAKCWCCTLTSGI-UHFFFAOYSA-N 0 0 325.390 2.234 40 5 EEBBRN CC(=O)[C@H]1[C@H](c2ccc([N+](=O)[O-])cc2)c2c(C)n[nH]c2C[C@]1(C)O ZINC000000204264 277100223 /nfs/dbraw/zinc/10/02/23/277100223.db2.gz KLUFAIXBSGETEP-YVSFHVDLSA-N 0 0 329.356 2.485 40 5 EEBBRN Cc1n[nH]c(C(=O)NCCNc2ccc3ccccc3n2)c1[N+](=O)[O-] ZINC000096436766 463264692 /nfs/dbraw/zinc/26/46/92/463264692.db2.gz ONOIHNVVWOSGJA-UHFFFAOYSA-N 0 0 340.343 2.016 40 5 EEBBRN CCc1nsc(N2CCN(c3cc(C)c([N+](=O)[O-])cn3)CC2)n1 ZINC000080605994 463335916 /nfs/dbraw/zinc/33/59/16/463335916.db2.gz BFNRBEHJQMRADQ-UHFFFAOYSA-N 0 0 334.405 2.039 40 5 EEBBRN Cc1nc(CNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])oc1C ZINC000097370379 463355397 /nfs/dbraw/zinc/35/53/97/463355397.db2.gz JQSWHNFPQWOPQF-UHFFFAOYSA-N 0 0 331.375 2.277 40 5 EEBBRN CN1C[C@H](c2ccc(F)cc2)C([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12 ZINC000408567689 466681252 /nfs/dbraw/zinc/68/12/52/466681252.db2.gz QYYWYOLSMLAVAH-MZMPZRCHSA-N 0 0 341.342 2.348 40 5 EEBBRN Cn1ccc(N2CCC[C@@H](Sc3ccc([N+](=O)[O-])cn3)C2=O)n1 ZINC000159686714 534769262 /nfs/dbraw/zinc/76/92/62/534769262.db2.gz HAZLNRYQGMSTRP-LLVKDONJSA-N 0 0 333.373 2.011 40 5 EEBBRN O=c1c([N+](=O)[O-])cn(Cc2ccccc2)c(=O)n1Cc1ccccc1 ZINC000001556508 209758189 /nfs/dbraw/zinc/75/81/89/209758189.db2.gz JFHNAZJXOIUTSJ-UHFFFAOYSA-N 0 0 337.335 2.015 40 5 EEBBRN CN(C)c1ccc(-n2c3ccccc3cc3c(=O)n(C)c(=O)nc2-3)cc1 ZINC000059497806 276881426 /nfs/dbraw/zinc/88/14/26/276881426.db2.gz LGMWBVYBUPOOPV-UHFFFAOYSA-N 0 0 346.390 2.255 40 5 EEBBRN Cc1ccc(-n2ccc3nc4ccn(N(C)C)c(=O)c4cc3c2=O)cc1 ZINC000040398688 278776211 /nfs/dbraw/zinc/77/62/11/278776211.db2.gz XRLVDWJEUBIBIK-UHFFFAOYSA-N 0 0 346.390 2.207 40 5 EEBBRN Cc1ccc(C)c(S(=O)(=O)N(C)Cc2nccs2)c1[N+](=O)[O-] ZINC000190039062 533702409 /nfs/dbraw/zinc/70/24/09/533702409.db2.gz CWDZRUBVYGCBOW-UHFFFAOYSA-N 0 0 341.414 2.489 40 5 EEBBRN C[C@H]1CN=C(N2CCN(c3ncc([N+](=O)[O-])cc3Cl)CC2)S1 ZINC000078400558 463113641 /nfs/dbraw/zinc/11/36/41/463113641.db2.gz HGDKHCISOLSTEZ-VIFPVBQESA-N 0 0 341.824 2.257 40 5 EEBBRN O=C(NCc1cccs1)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000096500725 463291775 /nfs/dbraw/zinc/29/17/75/463291775.db2.gz UYWYLYFQNGJBBZ-CQSZACIVSA-N 0 0 331.353 2.466 40 5 EEBBRN CCS(=O)(=O)C(Cl)(Cl)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000096518125 463292374 /nfs/dbraw/zinc/29/23/74/463292374.db2.gz ORDRUZZSXOAFGB-UHFFFAOYSA-N 0 0 326.157 2.344 40 5 EEBBRN O=[N+]([O-])c1cccnc1NCCc1ccccc1N1CCOCC1 ZINC000585141586 468992274 /nfs/dbraw/zinc/99/22/74/468992274.db2.gz CYLFBJCAJGSXJV-UHFFFAOYSA-N 0 0 328.372 2.481 40 5 EEBBRN Cc1ccc(C(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)cc1[N+](=O)[O-] ZINC000047081059 213830055 /nfs/dbraw/zinc/83/00/55/213830055.db2.gz DOMQZWZILQVMPK-UHFFFAOYSA-N 0 0 340.339 2.346 40 5 EEBBRN O=C(NCCn1cc([N+](=O)[O-])cn1)N1CCc2cc(Cl)ccc2C1 ZINC000189618660 237079319 /nfs/dbraw/zinc/07/93/19/237079319.db2.gz LNZMHZBAEXDOTK-UHFFFAOYSA-N 0 0 349.778 2.213 40 5 EEBBRN Cc1ccc(N2C[C@H](C(=O)Nc3nccs3)CC2=O)cc1[N+](=O)[O-] ZINC000408644369 238296640 /nfs/dbraw/zinc/29/66/40/238296640.db2.gz STJYIEFSMAYBHF-SNVBAGLBSA-N 0 0 346.368 2.351 40 5 EEBBRN Cc1nn(C)c(NCCc2csc(N3CCCC3)n2)c1[N+](=O)[O-] ZINC000078340465 217042119 /nfs/dbraw/zinc/04/21/19/217042119.db2.gz HOKPCSORICZIBG-UHFFFAOYSA-N 0 0 336.421 2.348 40 5 EEBBRN CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000078876043 217136098 /nfs/dbraw/zinc/13/60/98/217136098.db2.gz PJSZRZBRJCGPIT-BDAKNGLRSA-N 0 0 340.357 2.040 40 5 EEBBRN CCN(C(=O)c1ccc([N+](=O)[O-])cc1F)[C@@H](C)CS(=O)(=O)CC ZINC000079041783 217180781 /nfs/dbraw/zinc/18/07/81/217180781.db2.gz PRGNGQGAWLBEBJ-JTQLQIEISA-N 0 0 346.380 2.019 40 5 EEBBRN Cc1ccc(NC(=O)C[C@H]([NH2+]Cc2ccco2)C(=O)[O-])c([N+](=O)[O-])c1 ZINC000039880944 292147958 /nfs/dbraw/zinc/14/79/58/292147958.db2.gz BDVGBEZGSONONB-ZDUSSCGKSA-N 0 0 347.327 2.068 40 5 EEBBRN CO[C@@H](C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC000195556874 323514577 /nfs/dbraw/zinc/51/45/77/323514577.db2.gz YZKWMYKVEXZRPW-MRXNPFEDSA-N 0 0 327.340 2.262 40 5 EEBBRN CC1=Nc2ncnn2[C@@H](c2ccc([N+](=O)[O-])cc2)C1C(=O)OC(C)C ZINC000000147801 462543585 /nfs/dbraw/zinc/54/35/85/462543585.db2.gz WOKBZUGGDWHMKK-AWEZNQCLSA-N 0 0 343.343 2.427 40 5 EEBBRN COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)c2ccccc2)c1 ZINC000008433628 462783702 /nfs/dbraw/zinc/78/37/02/462783702.db2.gz DAHMKNWTZADDPF-UHFFFAOYSA-N 0 0 330.296 2.399 40 5 EEBBRN Cc1cnc(COC(=O)c2cnn3c2CCCC3)c(C)c1[N+](=O)[O-] ZINC000191363465 464814160 /nfs/dbraw/zinc/81/41/60/464814160.db2.gz SKFNUDLFVKYFAG-UHFFFAOYSA-N 0 0 330.344 2.496 40 5 EEBBRN CC1(C)[C@@]2(C)CC[C@]1(C(=O)Nc1ncc([N+](=O)[O-])s1)OC2=O ZINC000004820722 210288075 /nfs/dbraw/zinc/28/80/75/210288075.db2.gz AANZMQGEJIZNKQ-QWHCGFSZSA-N 0 0 325.346 2.112 40 5 EEBBRN O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000003045454 462610228 /nfs/dbraw/zinc/61/02/28/462610228.db2.gz AUTFCYBBQIMFIQ-UHFFFAOYSA-N 0 0 330.256 2.080 40 5 EEBBRN COc1ccc(C(=O)NC(=S)NNc2ccc([N+](=O)[O-])cc2)cc1 ZINC000014257549 462922992 /nfs/dbraw/zinc/92/29/92/462922992.db2.gz FMRUGKWEJAFGSE-UHFFFAOYSA-N 0 0 346.368 2.235 40 5 EEBBRN Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000096439529 463265667 /nfs/dbraw/zinc/26/56/67/463265667.db2.gz OYBSJWISLQFGTK-LLVKDONJSA-N 0 0 345.403 2.376 40 5 EEBBRN O=[N+]([O-])c1ccc(N[C@@H]2CCN(Cc3nccn3C(F)F)C2)nc1 ZINC000096443417 463268347 /nfs/dbraw/zinc/26/83/47/463268347.db2.gz BUKVSJGHLBGBBP-SNVBAGLBSA-N 0 0 338.318 2.268 40 5 EEBBRN NC(=O)c1cc([N+](=O)[O-])cnc1N1CCc2cc(Cl)ccc2C1 ZINC000302701491 537696388 /nfs/dbraw/zinc/69/63/88/537696388.db2.gz IEJFRUUFZBMBAR-UHFFFAOYSA-N 0 0 332.747 2.305 40 5 EEBBRN