smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H]1CN(c2cc(Cl)ncc2[N+](=O)[O-])[C@H](C)CN1C ZINC001164642315 719168284 /nfs/dbraw/zinc/16/82/84/719168284.db2.gz XJDBMFKOCUGGMF-RKDXNWHRSA-N 0 1 284.747 2.172 20 5 CEBDMN CN1CCC[C@H](Oc2ccc([N+](=O)[O-])c(F)c2F)C1 ZINC001233764575 807466634 /nfs/dbraw/zinc/46/66/34/807466634.db2.gz HRHIMXQLAGGPQN-QMMMGPOBSA-N 0 1 272.251 2.346 20 5 CEBDMN CN(Cc1cc(Cl)ccc1[N+](=O)[O-])C[C@@H](O)C1CC1 ZINC000690277375 808032987 /nfs/dbraw/zinc/03/29/87/808032987.db2.gz UQWHAANOTXVKRU-CYBMUJFWSA-N 0 1 284.743 2.451 20 5 CEBDMN C[C@H]1CCC[C@@H](N(C)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000073587237 808735261 /nfs/dbraw/zinc/73/52/61/808735261.db2.gz QQXNBEBYSWEEHD-WDEREUQCSA-N 0 1 252.318 2.259 20 5 CEBDMN C[C@@H]1CN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C[C@H](C)N1 ZINC000700608542 809331499 /nfs/dbraw/zinc/33/14/99/809331499.db2.gz JTZVEHIWJIRVTO-DTORHVGOSA-N 0 1 297.742 2.071 20 5 CEBDMN C[C@H](O)CN(Cc1ccc([N+](=O)[O-])c(F)c1)C1CC1 ZINC000709492157 809962179 /nfs/dbraw/zinc/96/21/79/809962179.db2.gz NRYZKPKSGGNKMM-VIFPVBQESA-N 0 1 268.288 2.079 20 5 CEBDMN COC1(OC)CC[C@H]1N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000710969224 810008937 /nfs/dbraw/zinc/00/89/37/810008937.db2.gz WOATXAFJMQSKOR-ZWNOBZJWSA-N 0 1 280.324 2.397 20 5 CEBDMN COC1(OC)CC[C@H]1NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000711424107 810069632 /nfs/dbraw/zinc/06/96/32/810069632.db2.gz HJRHCHYCVHRYKI-CYBMUJFWSA-N 0 1 280.324 2.144 20 5 CEBDMN O=[N+]([O-])c1cc(F)cnc1N[C@H]1CNCc2ccsc21 ZINC001155558643 811084972 /nfs/dbraw/zinc/08/49/72/811084972.db2.gz FWLGMEWBCMMLQH-VIFPVBQESA-N 0 1 294.311 2.447 20 5 CEBDMN CC(=O)NC1(C)CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001045336721 811594076 /nfs/dbraw/zinc/59/40/76/811594076.db2.gz WODZPEHWORUPQW-UHFFFAOYSA-N 0 1 291.351 2.085 20 5 CEBDMN C[C@@H]1[C@H](C)N(C)CCN1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000771286891 811954613 /nfs/dbraw/zinc/95/46/13/811954613.db2.gz HGUCAGLZEFNSGR-VHSXEESVSA-N 0 1 294.311 2.032 20 5 CEBDMN CC[C@](N)(CO)Nc1cc(OC(C)C)c([N+](=O)[O-])cc1C ZINC001170864992 813561380 /nfs/dbraw/zinc/56/13/80/813561380.db2.gz BKYVFVKLFBESBW-CQSZACIVSA-N 0 1 297.355 2.160 20 5 CEBDMN [CH2]CC[N@H+](CCN)[C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173222076 815625954 /nfs/dbraw/zinc/62/59/54/815625954.db2.gz SVLQMOZUYVYAHM-LBPRGKRZSA-N 0 1 264.349 2.011 20 5 CEBDMN [CH2]CC[N@@H+](CCN)[C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173222076 815625956 /nfs/dbraw/zinc/62/59/56/815625956.db2.gz SVLQMOZUYVYAHM-LBPRGKRZSA-N 0 1 264.349 2.011 20 5 CEBDMN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1C=C(N)C=CC1 ZINC001173220932 815626287 /nfs/dbraw/zinc/62/62/87/815626287.db2.gz IMXFFPZPSJFGHJ-NSHDSACASA-N 0 1 259.309 2.198 20 5 CEBDMN C[C@H](Cc1ccc([N+](=O)[O-])cc1)n1ccnc1CN ZINC001173210851 815635762 /nfs/dbraw/zinc/63/57/62/815635762.db2.gz OXXCRZHXUVWRJD-SNVBAGLBSA-N 0 1 260.297 2.054 20 5 CEBDMN CCC1(CNC(=O)c2n[nH]cc2[N+](=O)[O-])CCCCC1 ZINC000273830314 192326176 /nfs/dbraw/zinc/32/61/76/192326176.db2.gz FUORATIFODPORS-UHFFFAOYSA-N 0 1 280.328 2.408 20 5 CEBDMN CC[C@H](NCc1csc([N+](=O)[O-])c1)[C@H](O)C(F)F ZINC000294959210 199270385 /nfs/dbraw/zinc/27/03/85/199270385.db2.gz DQNVOAXPRYQPLL-CBAPKCEASA-N 0 1 280.296 2.151 20 5 CEBDMN O=[N+]([O-])c1cc(Cl)ccc1CN1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000125366991 187181761 /nfs/dbraw/zinc/18/17/61/187181761.db2.gz WNGPWWGDDZTOTD-BHYNMZESSA-N 0 1 296.754 2.451 20 5 CEBDMN Cc1ccc([N+](=O)[O-])c(NCc2n[nH]c(C(C)C)n2)n1 ZINC000294971689 199276031 /nfs/dbraw/zinc/27/60/31/199276031.db2.gz OFGNDRUKOPMNSN-UHFFFAOYSA-N 0 1 276.300 2.152 20 5 CEBDMN Cc1c([N+](=O)[O-])cccc1-n1[nH]c2c(c1=O)CSCC2 ZINC000601938676 346933602 /nfs/dbraw/zinc/93/36/02/346933602.db2.gz HWXGCVIKTLWDOC-VIFPVBQESA-N 0 1 291.332 2.359 20 5 CEBDMN COCCc1cc(=O)n(-c2cccc([N+](=O)[O-])c2C)[nH]1 ZINC000601940169 346934290 /nfs/dbraw/zinc/93/42/90/346934290.db2.gz PMLVLHQJYLOBTG-UHFFFAOYSA-N 0 1 277.280 2.032 20 5 CEBDMN O=C1[C@H]2CCCC2=NN1c1ccc([N+](=O)[O-])cc1F ZINC000601941538 346935388 /nfs/dbraw/zinc/93/53/88/346935388.db2.gz CUPFQSFLMTZVHG-QMMMGPOBSA-N 0 1 263.228 2.237 20 5 CEBDMN O=c1c2c([nH]n1-c1ccc([N+](=O)[O-])cc1F)CCC2 ZINC000601941538 346935390 /nfs/dbraw/zinc/93/53/90/346935390.db2.gz CUPFQSFLMTZVHG-QMMMGPOBSA-N 0 1 263.228 2.237 20 5 CEBDMN CN(Cc1cccc([N+](=O)[O-])c1)C[C@@H]1CCCO1 ZINC000046784020 362186193 /nfs/dbraw/zinc/18/61/93/362186193.db2.gz ZTOVVFDEBDQUTB-ZDUSSCGKSA-N 0 1 250.298 2.206 20 5 CEBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@@H](c2ccccc2)CC1 ZINC000066763363 343721447 /nfs/dbraw/zinc/72/14/47/343721447.db2.gz XOGFFMVQGVOBPK-KFWWJZLASA-N 0 1 288.347 2.448 20 5 CEBDMN CCCN1CCN(c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000067949137 343749554 /nfs/dbraw/zinc/74/95/54/343749554.db2.gz SZYFOVWTMGVTJT-UHFFFAOYSA-N 0 1 267.304 2.266 20 5 CEBDMN C[C@@H]1C[C@H](c2ccccc2F)N(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000081066939 344038299 /nfs/dbraw/zinc/03/82/99/344038299.db2.gz BQRNIEJCDIAJFC-IMJCEVDSSA-N 0 1 292.310 2.400 20 5 CEBDMN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)[C@@H](C)N(C)C ZINC000602153645 346983603 /nfs/dbraw/zinc/98/36/03/346983603.db2.gz XBDSWHZEZWEQOC-SNVBAGLBSA-N 0 1 265.313 2.100 20 5 CEBDMN CCN1CCN([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000075616082 343859194 /nfs/dbraw/zinc/85/91/94/343859194.db2.gz VHAAXNJLRHTPQQ-GFCCVEGCSA-N 0 1 263.341 2.293 20 5 CEBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(c2ccc(F)cc2)CC1 ZINC000081681211 344062255 /nfs/dbraw/zinc/06/22/55/344062255.db2.gz KJRGCURFZCFVKR-ZIAGYGMSSA-N 0 1 292.310 2.197 20 5 CEBDMN CCOC1CC[NH+](Cc2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC000091676336 344170175 /nfs/dbraw/zinc/17/01/75/344170175.db2.gz PXERQDMNZYHPEF-UHFFFAOYSA-N 0 1 280.324 2.301 20 5 CEBDMN C[N@H+](Cc1cc([O-])ccc1[N+](=O)[O-])CC1CCOCC1 ZINC000093284251 344218195 /nfs/dbraw/zinc/21/81/95/344218195.db2.gz AKKHJPODWITUHN-UHFFFAOYSA-N 0 1 280.324 2.159 20 5 CEBDMN Cc1cc(-c2nc([C@H]3CCCN3)no2)ccc1[N+](=O)[O-] ZINC000228560586 344561040 /nfs/dbraw/zinc/56/10/40/344561040.db2.gz VFJOGGYFUSMARU-SNVBAGLBSA-N 0 1 274.280 2.378 20 5 CEBDMN CCC[C@H](N[C@H]1CCCNC1=O)c1cccc([N+](=O)[O-])c1 ZINC000050394800 362417680 /nfs/dbraw/zinc/41/76/80/362417680.db2.gz PHBYFOBFFKJCJJ-KBPBESRZSA-N 0 1 291.351 2.304 20 5 CEBDMN C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H](C(=O)[O-])[C@H]1C ZINC000252606230 344640670 /nfs/dbraw/zinc/64/06/70/344640670.db2.gz QJPFOWHHRDPDHE-FOGDFJRCSA-N 0 1 278.308 2.451 20 5 CEBDMN C[C@H]1C[C@@H](NCc2ccc([N+](=O)[O-])cc2F)CO1 ZINC000402266886 344872264 /nfs/dbraw/zinc/87/22/64/344872264.db2.gz IKRZJYKFIDMAOE-WCBMZHEXSA-N 0 1 254.261 2.001 20 5 CEBDMN O=[N+]([O-])c1cc2cn[nH]c2cc1OC1CCOCC1 ZINC000584617788 344965774 /nfs/dbraw/zinc/96/57/74/344965774.db2.gz LGJPDLFXMREKCD-UHFFFAOYSA-N 0 1 263.253 2.029 20 5 CEBDMN COC(=O)c1ccc([N+](=O)[O-])c(CN2C[C@H](C)[C@@H](C)C2)c1 ZINC000589502424 345084992 /nfs/dbraw/zinc/08/49/92/345084992.db2.gz SWNZDWCORMMGIH-QWRGUYRKSA-N 0 1 292.335 2.469 20 5 CEBDMN O=[N+]([O-])c1ccccc1NCc1n[nH]c([C@H]2CCCO2)n1 ZINC000594589017 345652269 /nfs/dbraw/zinc/65/22/69/345652269.db2.gz GYNRLSKIUQNDQS-LLVKDONJSA-N 0 1 289.295 2.177 20 5 CEBDMN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCCn1cccn1 ZINC000595014329 345726667 /nfs/dbraw/zinc/72/66/67/345726667.db2.gz OFFHBIBAJGTMNR-LLVKDONJSA-N 0 1 290.323 2.151 20 5 CEBDMN CO[C@@](C)([C@H](C)NCc1onc(C)c1[N+](=O)[O-])C1CC1 ZINC000595542419 345807755 /nfs/dbraw/zinc/80/77/55/345807755.db2.gz FKZKZHNOBJBYDS-ZANVPECISA-N 0 1 283.328 2.184 20 5 CEBDMN Cc1noc(CN2C[C@H](C)[C@@H](C)[C@H]2C)c1[N+](=O)[O-] ZINC000595553603 345811355 /nfs/dbraw/zinc/81/13/55/345811355.db2.gz ZIIZXBGHWMHURF-QXFUBDJGSA-N 0 1 253.302 2.368 20 5 CEBDMN CCOC(=O)[C@@H](C)[C@H](C)NCc1ccc(F)cc1[N+](=O)[O-] ZINC000595429137 345780604 /nfs/dbraw/zinc/78/06/04/345780604.db2.gz LZPZTQNAQPPRKR-UWVGGRQHSA-N 0 1 298.314 2.411 20 5 CEBDMN O=[N+]([O-])c1cc(F)ccc1CN1CCC[C@](O)(C2CC2)C1 ZINC000595748238 345864604 /nfs/dbraw/zinc/86/46/04/345864604.db2.gz DSQBQQNMHZZSHG-OAHLLOKOSA-N 0 1 294.326 2.471 20 5 CEBDMN C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@@]2(O)C[C@H]2C1 ZINC000595759594 345869687 /nfs/dbraw/zinc/86/96/87/345869687.db2.gz XMHZQZPVZOSQSM-UHIISALHSA-N 0 1 262.309 2.113 20 5 CEBDMN COc1cc(CN2C[C@H](C)[C@](C)(CO)C2)ccc1[N+](=O)[O-] ZINC000595873712 345904188 /nfs/dbraw/zinc/90/41/88/345904188.db2.gz MPLAIGSQGVNJEO-NHYWBVRUSA-N 0 1 294.351 2.054 20 5 CEBDMN CC(=O)c1cc(N[C@H]2CCN(C3CC3)C2)ccc1[N+](=O)[O-] ZINC000596092961 345938595 /nfs/dbraw/zinc/93/85/95/345938595.db2.gz YKHSRRVELLWZIU-LBPRGKRZSA-N 0 1 289.335 2.446 20 5 CEBDMN COc1cc(N(C)CC2CN(C)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596453792 346027809 /nfs/dbraw/zinc/02/78/09/346027809.db2.gz NRMVZUWKHLENKT-UHFFFAOYSA-N 0 1 299.758 2.255 20 5 CEBDMN C[C@@H](O)C1(NCc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000597233968 346156483 /nfs/dbraw/zinc/15/64/83/346156483.db2.gz DQIXNNYVGWENII-MRVPVSSYSA-N 0 1 270.716 2.251 20 5 CEBDMN CC(C)(C)N1CC[C@@H]1CNC(=O)c1csc([N+](=O)[O-])c1 ZINC000597858795 346239832 /nfs/dbraw/zinc/23/98/32/346239832.db2.gz PCINQBKKIKMPBJ-SNVBAGLBSA-N 0 1 297.380 2.259 20 5 CEBDMN CN(Cc1cn(C)nc1[N+](=O)[O-])C[C@H]1CC=CCC1 ZINC000602606329 347097515 /nfs/dbraw/zinc/09/75/15/347097515.db2.gz BYPHAHXQSHYXEZ-NSHDSACASA-N 0 1 264.329 2.116 20 5 CEBDMN CN(Cc1ccc([N+](=O)[O-])cc1Cl)C[C@H]1C[C@@H](O)C1 ZINC000599656295 346556649 /nfs/dbraw/zinc/55/66/49/346556649.db2.gz VEIVOZIXEFHCFQ-WVSHTKLVSA-N 0 1 284.743 2.451 20 5 CEBDMN CCOc1ccc([N+](=O)[O-])cc1CN1C[C@@H]2C[C@@H]2C1 ZINC000600189117 346618584 /nfs/dbraw/zinc/61/85/84/346618584.db2.gz CJPGGJVACIJFCH-PHIMTYICSA-N 0 1 262.309 2.445 20 5 CEBDMN CC(C)Oc1ccc([N+](=O)[O-])cc1Cn1ccnc1CN ZINC000600966310 346720963 /nfs/dbraw/zinc/72/09/63/346720963.db2.gz MJAHMJYUPPOWCN-UHFFFAOYSA-N 0 1 290.323 2.086 20 5 CEBDMN C/C=C/C[C@@H]1CCCN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])C1 ZINC000600805378 346693739 /nfs/dbraw/zinc/69/37/39/346693739.db2.gz FKAXUWRIEHNECZ-PGLGOXFNSA-N 0 1 292.339 2.445 20 5 CEBDMN CCOC(=O)CCSCc1cc(O)ccc1[N+](=O)[O-] ZINC000601095176 346751460 /nfs/dbraw/zinc/75/14/60/346751460.db2.gz HDGUOQNWHZWWRE-UHFFFAOYSA-N 0 1 285.321 2.487 20 5 CEBDMN CN(Cc1nc2cc([N+](=O)[O-])ccc2o1)C1(CO)CCC1 ZINC000602714686 347166745 /nfs/dbraw/zinc/16/67/45/347166745.db2.gz JGLGGOBUEMDANJ-UHFFFAOYSA-N 0 1 291.307 2.083 20 5 CEBDMN C[C@@H]1CCN(Cc2cccc([N+](=O)[O-])c2)[C@H](CO)C1 ZINC000602931230 347250513 /nfs/dbraw/zinc/25/05/13/347250513.db2.gz NGXLGZWZKHETLU-RISCZKNCSA-N 0 1 264.325 2.188 20 5 CEBDMN C[C@@H](C1CC1)N(Cc1c([N+](=O)[O-])ncn1C)C1CC1 ZINC000610476256 347683369 /nfs/dbraw/zinc/68/33/69/347683369.db2.gz QMVIHWRNLRSLSO-VIFPVBQESA-N 0 1 264.329 2.091 20 5 CEBDMN Cc1ncc([N+](=O)[O-])n1CCN(C)Cc1cccc(F)c1 ZINC000610782746 347714472 /nfs/dbraw/zinc/71/44/72/347714472.db2.gz VRNDGOOKIMVBQB-UHFFFAOYSA-N 0 1 292.314 2.371 20 5 CEBDMN O=[N+]([O-])c1ccc(N2CC[C@@H](N3CC=CC3)C2)s1 ZINC000610281813 347669591 /nfs/dbraw/zinc/66/95/91/347669591.db2.gz JUZHVDZTGCPYHG-SNVBAGLBSA-N 0 1 265.338 2.107 20 5 CEBDMN CC1(C)C[N@H+](Cc2cc([O-])ccc2[N+](=O)[O-])CCCO1 ZINC000611272366 347761867 /nfs/dbraw/zinc/76/18/67/347761867.db2.gz BLXYLQITFVZJFA-UHFFFAOYSA-N 0 1 280.324 2.301 20 5 CEBDMN CC1(C)C[N@@H+](Cc2cc([O-])ccc2[N+](=O)[O-])CCCO1 ZINC000611272366 347761868 /nfs/dbraw/zinc/76/18/68/347761868.db2.gz BLXYLQITFVZJFA-UHFFFAOYSA-N 0 1 280.324 2.301 20 5 CEBDMN O=C([O-])C[C@@H]1CCC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000610896932 347721267 /nfs/dbraw/zinc/72/12/67/347721267.db2.gz DZUPSGCOZLBTBF-JTQLQIEISA-N 0 1 296.298 2.421 20 5 CEBDMN CC(C)c1[nH]nc(C(=O)N2CCC3(CC3)CC2)c1[N+](=O)[O-] ZINC000610922684 347722120 /nfs/dbraw/zinc/72/21/20/347722120.db2.gz SUQJMDUXRVIABV-UHFFFAOYSA-N 0 1 292.339 2.458 20 5 CEBDMN COc1ccc(OCCN2CC=CCC2)c([N+](=O)[O-])c1 ZINC000611517630 347790286 /nfs/dbraw/zinc/79/02/86/347790286.db2.gz YSODZDFZJSFMRC-UHFFFAOYSA-N 0 1 278.308 2.244 20 5 CEBDMN C[C@H](C[N@@H+](C)[C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)[O-] ZINC000086807967 179339512 /nfs/dbraw/zinc/33/95/12/179339512.db2.gz SEVBJURILQFVLQ-ZJUUUORDSA-N 0 1 266.297 2.308 20 5 CEBDMN C[C@@H]1CCC[C@@H]1NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000104616479 186010377 /nfs/dbraw/zinc/01/03/77/186010377.db2.gz LAUPMYQPSSSFJE-KCJUWKMLSA-N 0 1 288.307 2.390 20 5 CEBDMN CCOc1ccc([N+](=O)[O-])cc1CN(CC)C[C@H](C)O ZINC000352212269 219365607 /nfs/dbraw/zinc/36/56/07/219365607.db2.gz OBDLMQCNCLPJMY-NSHDSACASA-N 0 1 282.340 2.196 20 5 CEBDMN C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC[C@@H]1C ZINC000072874537 363176997 /nfs/dbraw/zinc/17/69/97/363176997.db2.gz QIUWFJUXQSGHPW-QWRGUYRKSA-N 0 1 277.324 2.406 20 5 CEBDMN Cc1nc(CNC(C)(C)c2ccccc2[N+](=O)[O-])n[nH]1 ZINC000292167911 198188595 /nfs/dbraw/zinc/18/85/95/198188595.db2.gz PJOXEABNIZLDDQ-UHFFFAOYSA-N 0 1 275.312 2.046 20 5 CEBDMN CC(C)c1nc(CN(C)Cc2ccccc2[N+](=O)[O-])n[nH]1 ZINC000292189906 198195104 /nfs/dbraw/zinc/19/51/04/198195104.db2.gz NSRZEDXUNWTCNH-UHFFFAOYSA-N 0 1 289.339 2.468 20 5 CEBDMN COc1cc(CN(C)C(C)C)c([N+](=O)[O-])cc1OC ZINC000158719263 188391058 /nfs/dbraw/zinc/39/10/58/188391058.db2.gz GKBPZUPBDPKVGC-UHFFFAOYSA-N 0 1 268.313 2.452 20 5 CEBDMN CCO[C@@H]1COC[C@H]1N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000451945486 283149142 /nfs/dbraw/zinc/14/91/42/283149142.db2.gz UYEIVHPADDGTBR-LERXQTSPSA-N 0 1 280.324 2.049 20 5 CEBDMN CC1(C)CCC[C@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000135241653 366414729 /nfs/dbraw/zinc/41/47/29/366414729.db2.gz QSKZDMIGQPJHBL-QMMMGPOBSA-N 0 1 266.301 2.017 20 5 CEBDMN O=[N+]([O-])c1ccc(CN2CCS[C@@H]3COCC[C@@H]32)cc1 ZINC000135519433 366450288 /nfs/dbraw/zinc/45/02/88/366450288.db2.gz YZTNHFZJWLBNNN-UONOGXRCSA-N 0 1 294.376 2.301 20 5 CEBDMN O=[N+]([O-])c1ccccc1CN1CCS[C@@H]2COCC[C@@H]21 ZINC000135544153 366453276 /nfs/dbraw/zinc/45/32/76/366453276.db2.gz AWWKIFBNYAVXSZ-UONOGXRCSA-N 0 1 294.376 2.301 20 5 CEBDMN C[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1C(=O)[O-] ZINC000578626240 366523104 /nfs/dbraw/zinc/52/31/04/366523104.db2.gz GJBBLZKHIWEMIB-GWCFXTLKSA-N 0 1 278.308 2.137 20 5 CEBDMN O=C([O-])C[C@H]1CCCC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000038027758 304082838 /nfs/dbraw/zinc/08/28/38/304082838.db2.gz QOUXBAXOZHKLNP-GFCCVEGCSA-N 0 1 278.308 2.424 20 5 CEBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CC(C2CCC2)C1 ZINC000341395336 215952353 /nfs/dbraw/zinc/95/23/53/215952353.db2.gz ZDNIBTJQPVPYFK-UHFFFAOYSA-N 0 1 276.292 2.173 20 5 CEBDMN O=[N+]([O-])c1ccc([O-])cc1C[N@H+]1CCC[C@@H]2COCC[C@H]21 ZINC000339010435 366613020 /nfs/dbraw/zinc/61/30/20/366613020.db2.gz BNVMWZMLLXNBIA-BXUZGUMPSA-N 0 1 292.335 2.301 20 5 CEBDMN CC(C)N1CC[C@@H](N[C@H](C)c2ccc([N+](=O)[O-])cc2)C1=O ZINC000178656554 189135407 /nfs/dbraw/zinc/13/54/07/189135407.db2.gz ZGMLIVUYNPDDRV-BXUZGUMPSA-N 0 1 291.351 2.255 20 5 CEBDMN O=[N+]([O-])c1ccc([O-])cc1C[N@H+]1CC[C@@]2(C1)CCCOC2 ZINC000339170980 366688693 /nfs/dbraw/zinc/68/86/93/366688693.db2.gz JTOZUIYKGKZFGX-OAHLLOKOSA-N 0 1 292.335 2.303 20 5 CEBDMN O=[N+]([O-])c1ccc(NC[C@@H]2CN3CCCC[C@H]3CO2)cc1 ZINC000301879033 201245913 /nfs/dbraw/zinc/24/59/13/201245913.db2.gz UNGAGPCZHZXERH-LSDHHAIUSA-N 0 1 291.351 2.260 20 5 CEBDMN COCCN1CCC[C@@H]1CNc1sccc1[N+](=O)[O-] ZINC000301974116 201283521 /nfs/dbraw/zinc/28/35/21/201283521.db2.gz AOCAXWFYVZFPAY-SNVBAGLBSA-N 0 1 285.369 2.179 20 5 CEBDMN Cc1ccc([C@@H](C)NCc2cnc[nH]2)cc1[N+](=O)[O-] ZINC000088750553 363919657 /nfs/dbraw/zinc/91/96/57/363919657.db2.gz GVBZFKPHIIHAAG-SNVBAGLBSA-N 0 1 260.297 2.477 20 5 CEBDMN CC1(C)C[C@H]1CNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356607123 370771990 /nfs/dbraw/zinc/77/19/90/370771990.db2.gz ZNNHGKXNXVZELD-VIFPVBQESA-N 0 1 264.281 2.076 20 5 CEBDMN O=[N+]([O-])c1ccc(N[C@@H]2CCN(Cc3ccccn3)C2)nc1 ZINC000118865966 365186039 /nfs/dbraw/zinc/18/60/39/365186039.db2.gz JPZUYIDPMBURII-CYBMUJFWSA-N 0 1 299.334 2.071 20 5 CEBDMN CCOCCCN1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000159265777 366894024 /nfs/dbraw/zinc/89/40/24/366894024.db2.gz SHGASZBQIUQQMU-UHFFFAOYSA-N 0 1 293.367 2.143 20 5 CEBDMN CCCc1[nH]nc(C(=O)N2CC(C3CCC3)C2)c1[N+](=O)[O-] ZINC000341360869 367303288 /nfs/dbraw/zinc/30/32/88/367303288.db2.gz XVVHKDUWXBTNRD-UHFFFAOYSA-N 0 1 292.339 2.143 20 5 CEBDMN Cc1nc(NC(=O)c2ccc3cncn3c2)ccc1[N+](=O)[O-] ZINC000341372409 367309042 /nfs/dbraw/zinc/30/90/42/367309042.db2.gz QELRFRUOJMSNRY-UHFFFAOYSA-N 0 1 297.274 2.198 20 5 CEBDMN CCc1nc([C@H](C)Nc2ncc(C)cc2[N+](=O)[O-])n[nH]1 ZINC000342779277 367531647 /nfs/dbraw/zinc/53/16/47/367531647.db2.gz BQSGWABJJQROKT-QMMMGPOBSA-N 0 1 276.300 2.152 20 5 CEBDMN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCN(C2CC2)CC1 ZINC000343552532 367879302 /nfs/dbraw/zinc/87/93/02/367879302.db2.gz WBGPSVDKBIPWLW-LBPRGKRZSA-N 0 1 275.352 2.436 20 5 CEBDMN C[C@H](NCC(=O)NC1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000173407284 367907571 /nfs/dbraw/zinc/90/75/71/367907571.db2.gz ZINVNKRLNBYPMO-NSHDSACASA-N 0 1 291.351 2.304 20 5 CEBDMN O=[N+]([O-])c1cnn(CCN2Cc3ccccc3C3(CC3)C2)c1 ZINC000186239326 368944016 /nfs/dbraw/zinc/94/40/16/368944016.db2.gz GKJVGIAOHNJJGK-UHFFFAOYSA-N 0 1 298.346 2.339 20 5 CEBDMN CCc1[nH]nc(C(=O)N2CCCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000186244580 368944185 /nfs/dbraw/zinc/94/41/85/368944185.db2.gz BUCUWVJLAKSTBM-VIFPVBQESA-N 0 1 280.328 2.143 20 5 CEBDMN CN(Cc1ccccc1)C1CN(c2ccc([N+](=O)[O-])cn2)C1 ZINC000343598008 216839600 /nfs/dbraw/zinc/83/96/00/216839600.db2.gz BPGJZDYPRMXEAP-UHFFFAOYSA-N 0 1 298.346 2.310 20 5 CEBDMN Cc1cc(N(C)C2CC(O)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000353288253 220009116 /nfs/dbraw/zinc/00/91/16/220009116.db2.gz AQUKZFHGEHZTBA-UHFFFAOYSA-N 0 1 287.319 2.411 20 5 CEBDMN O=[N+]([O-])c1ccc(-c2noc([C@@H]3C[C@H]3c3nc[nH]n3)n2)cc1 ZINC000349887049 369438987 /nfs/dbraw/zinc/43/89/87/369438987.db2.gz FNIDGQMKGDTVTP-NXEZZACHSA-N 0 1 298.262 2.034 20 5 CEBDMN CCOCCOCCN(C)Cc1cccc([N+](=O)[O-])c1 ZINC000190248142 369607404 /nfs/dbraw/zinc/60/74/04/369607404.db2.gz ZEWAMJNETPEWPM-UHFFFAOYSA-N 0 1 282.340 2.080 20 5 CEBDMN CCOCCOCC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1C ZINC000191567894 369723676 /nfs/dbraw/zinc/72/36/76/369723676.db2.gz LBSIUURBXGBEKE-UHFFFAOYSA-N 0 1 296.367 2.388 20 5 CEBDMN CCOCCOCCN(C)Cc1ccc([N+](=O)[O-])cc1C ZINC000191567894 369723680 /nfs/dbraw/zinc/72/36/80/369723680.db2.gz LBSIUURBXGBEKE-UHFFFAOYSA-N 0 1 296.367 2.388 20 5 CEBDMN CN(Cc1ccc([N+](=O)[O-])cc1F)[C@H]1CCC[C@@H]1O ZINC000352668217 369825414 /nfs/dbraw/zinc/82/54/14/369825414.db2.gz QKSLOLZHGWLCRT-STQMWFEESA-N 0 1 268.288 2.079 20 5 CEBDMN C[C@@H]1C[C@H](C)N(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000354204351 370259226 /nfs/dbraw/zinc/25/92/26/370259226.db2.gz FMAAGSNUHXTLGS-NEPJUHHUSA-N 0 1 291.351 2.288 20 5 CEBDMN CCC1(C)CCN(Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000355540918 370593015 /nfs/dbraw/zinc/59/30/15/370593015.db2.gz HIFHPFUNYHHTFU-UHFFFAOYSA-N 0 1 266.345 2.340 20 5 CEBDMN Cc1cc(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)[nH]n1 ZINC000355468539 370562522 /nfs/dbraw/zinc/56/25/22/370562522.db2.gz MEKCIDDRMLRMMJ-UHFFFAOYSA-N 0 1 285.263 2.267 20 5 CEBDMN CC(C)N1C[C@@H](C)[C@H](NC(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000247503267 371116934 /nfs/dbraw/zinc/11/69/34/371116934.db2.gz XTPJTHKXGDIADT-NXEZZACHSA-N 0 1 297.380 2.115 20 5 CEBDMN CO[C@@H]1CCN([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000361371753 371813393 /nfs/dbraw/zinc/81/33/93/371813393.db2.gz YXEZWOZUHYNMMS-ZWNOBZJWSA-N 0 1 250.298 2.377 20 5 CEBDMN CCOc1ccc([N+](=O)[O-])cc1CN1C[C@H](C)[C@@H](CO)C1 ZINC000361663796 372013314 /nfs/dbraw/zinc/01/33/14/372013314.db2.gz WWOQMWKZRDHUNR-WCQYABFASA-N 0 1 294.351 2.054 20 5 CEBDMN C[C@@H]1CCC[C@@H]1NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000269286811 372408373 /nfs/dbraw/zinc/40/83/73/372408373.db2.gz NVSFAHDSRAOTJJ-PELKAZGASA-N 0 1 264.281 2.219 20 5 CEBDMN Cc1ccc(CN2CCC[C@@H](CO)C2)cc1[N+](=O)[O-] ZINC000269361277 372430399 /nfs/dbraw/zinc/43/03/99/372430399.db2.gz PBAHEXXWBMTRFJ-CYBMUJFWSA-N 0 1 264.325 2.108 20 5 CEBDMN CCN1C[C@@H](C)N(C(=O)c2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000344456475 217196534 /nfs/dbraw/zinc/19/65/34/217196534.db2.gz PSDHFGKUYOTEJS-VXGBXAGGSA-N 0 1 291.351 2.150 20 5 CEBDMN CCc1nc([C@@H](C)Nc2ccc([N+](=O)[O-])c(C)n2)n[nH]1 ZINC000270620888 372869168 /nfs/dbraw/zinc/86/91/68/372869168.db2.gz CDGYUHTXIOVVAG-MRVPVSSYSA-N 0 1 276.300 2.152 20 5 CEBDMN CC[C@@H](NCc1ccc([N+](=O)[O-])cc1)[C@@H](O)C(F)(F)F ZINC000271002059 373058326 /nfs/dbraw/zinc/05/83/26/373058326.db2.gz QJDSJDOTSUEQCX-GHMZBOCLSA-N 0 1 292.257 2.386 20 5 CEBDMN O=C([C@H]1CC1[N+](=O)[O-])N1CCC2(C1)CCCCCC2 ZINC000370215974 373606476 /nfs/dbraw/zinc/60/64/76/373606476.db2.gz NIEXRKXQNVCNFR-RYUDHWBXSA-N 0 1 266.341 2.225 20 5 CEBDMN Cc1ccccc1[C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000370535020 373679090 /nfs/dbraw/zinc/67/90/90/373679090.db2.gz IDCGMWKNVWSEJP-OXHZDVMGSA-N 0 1 274.320 2.022 20 5 CEBDMN Cc1nc([C@H]2CCCCN2c2ccc([N+](=O)[O-])cn2)n[nH]1 ZINC000371107779 373789959 /nfs/dbraw/zinc/78/99/59/373789959.db2.gz PQIWUAQXZKTFBP-LLVKDONJSA-N 0 1 288.311 2.148 20 5 CEBDMN CCOc1cc(CSc2cn[nH]n2)ccc1[N+](=O)[O-] ZINC000276883102 374335125 /nfs/dbraw/zinc/33/51/25/374335125.db2.gz JCBSOPZWRJDYNW-UHFFFAOYSA-N 0 1 280.309 2.404 20 5 CEBDMN CCOCCN(C)Cc1ccc([N+](=O)[O-])c(OCC)c1 ZINC000276905911 374341366 /nfs/dbraw/zinc/34/13/66/374341366.db2.gz MLCHJJOWMMPQEF-UHFFFAOYSA-N 0 1 282.340 2.462 20 5 CEBDMN Cc1ccc(CN2CC([C@@H]3CCOC3)C2)cc1[N+](=O)[O-] ZINC000373465391 374358870 /nfs/dbraw/zinc/35/88/70/374358870.db2.gz KVYOSGLPZBXJMT-CYBMUJFWSA-N 0 1 276.336 2.372 20 5 CEBDMN C[C@H]1COCCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000374334919 374544520 /nfs/dbraw/zinc/54/45/20/374544520.db2.gz XYDHWFPZSKWOJF-LLVKDONJSA-N 0 1 250.298 2.063 20 5 CEBDMN Cc1[nH]nc(C(=O)N2C[C@H](C)[C@H]3CCCC[C@@H]32)c1[N+](=O)[O-] ZINC000408176591 375422800 /nfs/dbraw/zinc/42/28/00/375422800.db2.gz HMWQORURWLXADN-GDPRMGEGSA-N 0 1 292.339 2.277 20 5 CEBDMN CCCc1[nH]nc(C(=O)N2C[C@H](C)[C@@H](C)[C@H]2C)c1[N+](=O)[O-] ZINC000416323528 376040202 /nfs/dbraw/zinc/04/02/02/376040202.db2.gz VCLXKAXXSALAMR-IVZWLZJFSA-N 0 1 294.355 2.387 20 5 CEBDMN CCC[C@H](NCc1cnnn1C)c1cccc([N+](=O)[O-])c1 ZINC000287475509 376242765 /nfs/dbraw/zinc/24/27/65/376242765.db2.gz WQEVQHNTEYFBNN-AWEZNQCLSA-N 0 1 289.339 2.354 20 5 CEBDMN CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@@H](C)C(=O)[O-] ZINC000262645044 190059348 /nfs/dbraw/zinc/05/93/48/190059348.db2.gz JURNSDONSKKYST-JTQLQIEISA-N 0 1 296.323 2.287 20 5 CEBDMN C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[C@@H](C)[C@H](O)C1 ZINC000305760142 376475091 /nfs/dbraw/zinc/47/50/91/376475091.db2.gz JKPICXRDPYIFSV-JTNHKYCSSA-N 0 1 264.325 2.359 20 5 CEBDMN CCc1[nH]nc(C(=O)N2CCC(CC)CC2)c1[N+](=O)[O-] ZINC000264682406 190128558 /nfs/dbraw/zinc/12/85/58/190128558.db2.gz QCFUNXUGESJVSW-UHFFFAOYSA-N 0 1 280.328 2.143 20 5 CEBDMN C[N@H+](Cc1cc([O-])ccc1[N+](=O)[O-])C[C@H]1CCCOC1 ZINC000330446595 377137597 /nfs/dbraw/zinc/13/75/97/377137597.db2.gz XYEBRGZQPZBPOV-LLVKDONJSA-N 0 1 280.324 2.159 20 5 CEBDMN CO[C@]1(C)CCC[N@@H+](Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000330455214 377141757 /nfs/dbraw/zinc/14/17/57/377141757.db2.gz MXYOFUYILKAGKX-CQSZACIVSA-N 0 1 280.324 2.301 20 5 CEBDMN CC(C)N(Cc1c([N+](=O)[O-])ncn1C)C1CCCC1 ZINC000331069782 377268714 /nfs/dbraw/zinc/26/87/14/377268714.db2.gz RNYPMNZWBWLTSH-UHFFFAOYSA-N 0 1 266.345 2.481 20 5 CEBDMN CC(C)[C@@H]1C[N@@H+](C)CCN1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000330894482 377202189 /nfs/dbraw/zinc/20/21/89/377202189.db2.gz FJLVXVOFQCUNOX-HNNXBMFYSA-N 0 1 293.367 2.072 20 5 CEBDMN O=[N+]([O-])c1ccc(CN2CC[C@@H]3OCC[C@@H]3C2)c(F)c1 ZINC000563709075 377282379 /nfs/dbraw/zinc/28/23/79/377282379.db2.gz PCYRXUVIMWXNPR-RISCZKNCSA-N 0 1 280.299 2.345 20 5 CEBDMN CCOc1ccc([N+](=O)[O-])cc1CN1CC[C@@](O)(CC)C1 ZINC000425922768 377387643 /nfs/dbraw/zinc/38/76/43/377387643.db2.gz FHLHFNUUWNRXPX-HNNXBMFYSA-N 0 1 294.351 2.340 20 5 CEBDMN C[C@@H](C(=O)[O-])[N@@H+](C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000566056169 377714304 /nfs/dbraw/zinc/71/43/04/377714304.db2.gz MDDBNDBOXJSOOF-BXKUYDPTSA-N 0 1 264.281 2.013 20 5 CEBDMN Cc1nc(NC[C@H](c2ccco2)N(C)C)ncc1[N+](=O)[O-] ZINC000296229335 378460895 /nfs/dbraw/zinc/46/08/95/378460895.db2.gz DTAQAMITEXVRDD-LLVKDONJSA-N 0 1 291.311 2.001 20 5 CEBDMN O=C(NCCN1CCCCCC1)c1ccc([N+](=O)[O-])s1 ZINC000298370765 378708560 /nfs/dbraw/zinc/70/85/60/378708560.db2.gz VCIPIVQZWWEQQK-UHFFFAOYSA-N 0 1 297.380 2.262 20 5 CEBDMN CCc1[nH]nc(C(=O)N2[C@H](C)CC[C@@H]2CC)c1[N+](=O)[O-] ZINC000278473007 194000876 /nfs/dbraw/zinc/00/08/76/194000876.db2.gz UEBVQVKGYQASSB-BDAKNGLRSA-N 0 1 280.328 2.283 20 5 CEBDMN CCO[C@@H]1COC[C@H]1N[C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000453374240 378877325 /nfs/dbraw/zinc/87/73/25/378877325.db2.gz VZZITKWFPOBJPQ-RBSFLKMASA-N 0 1 294.351 2.439 20 5 CEBDMN O=[N+]([O-])c1c(F)cccc1NCCCCN1CCOCC1 ZINC000299168834 378924218 /nfs/dbraw/zinc/92/42/18/378924218.db2.gz VPARLQVGRGATDY-UHFFFAOYSA-N 0 1 297.330 2.258 20 5 CEBDMN C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC(CO)CC1 ZINC000266520786 190263005 /nfs/dbraw/zinc/26/30/05/190263005.db2.gz ICRVNNLXHYWXQM-NSHDSACASA-N 0 1 264.325 2.360 20 5 CEBDMN C[C@H](c1ccccc1[N+](=O)[O-])N1CCC2(CC1)OCCO2 ZINC000266553878 190266451 /nfs/dbraw/zinc/26/64/51/190266451.db2.gz UZAPIHWVKIRNDX-GFCCVEGCSA-N 0 1 292.335 2.495 20 5 CEBDMN O=[N+]([O-])c1c(F)cccc1N1CCN2CCC1CC2 ZINC000302782127 379449138 /nfs/dbraw/zinc/44/91/38/379449138.db2.gz SIIRJAGEUDROJI-UHFFFAOYSA-N 0 1 265.288 2.018 20 5 CEBDMN CO[C@@H]1CCN(Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000353878542 220384432 /nfs/dbraw/zinc/38/44/32/220384432.db2.gz FCSDEANEZFOJPX-GFCCVEGCSA-N 0 1 250.298 2.124 20 5 CEBDMN O=[N+]([O-])c1ccccc1N1CCN(CCCF)CC1 ZINC000178672367 285163628 /nfs/dbraw/zinc/16/36/28/285163628.db2.gz SBTILUMAXSEDPO-UHFFFAOYSA-N 0 1 267.304 2.076 20 5 CEBDMN C[C@H](O)C[C@H]1CCCN1Cc1c(F)cccc1[N+](=O)[O-] ZINC000305228763 394503274 /nfs/dbraw/zinc/50/32/74/394503274.db2.gz QFDAKJGXFWBRSI-WDEREUQCSA-N 0 1 282.315 2.469 20 5 CEBDMN Cc1nc([C@@H]2CCN(c3cc(C)ccc3[N+](=O)[O-])C2)n[nH]1 ZINC000413544615 394578881 /nfs/dbraw/zinc/57/88/81/394578881.db2.gz BULPIUZEFFXLCK-LLVKDONJSA-N 0 1 287.323 2.324 20 5 CEBDMN Cc1nnc([C@@H]2CCN(c3cc(C)ccc3[N+](=O)[O-])C2)[nH]1 ZINC000413544615 394578885 /nfs/dbraw/zinc/57/88/85/394578885.db2.gz BULPIUZEFFXLCK-LLVKDONJSA-N 0 1 287.323 2.324 20 5 CEBDMN CC[C@H]1CCN(C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])C1 ZINC000269533114 394718585 /nfs/dbraw/zinc/71/85/85/394718585.db2.gz SSLKPBMIUDTUGM-VIFPVBQESA-N 0 1 280.328 2.313 20 5 CEBDMN CN(C(=O)CN1CCCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000282009145 394894603 /nfs/dbraw/zinc/89/46/03/394894603.db2.gz YIDZIMXMTZVRPR-UHFFFAOYSA-N 0 1 291.351 2.434 20 5 CEBDMN CC(C)[C@@H]1CN(Cc2cc([O-])ccc2[N+](=O)[O-])CC[N@H+]1C ZINC000339137604 394945918 /nfs/dbraw/zinc/94/59/18/394945918.db2.gz RNEBRHRQFJYNNO-HNNXBMFYSA-N 0 1 293.367 2.072 20 5 CEBDMN CCCc1[nH]nc(C(=O)N2CCC3(CC3)CC2)c1[N+](=O)[O-] ZINC000370870609 395019923 /nfs/dbraw/zinc/01/99/23/395019923.db2.gz VTDZUVHHMQTGJB-UHFFFAOYSA-N 0 1 292.339 2.287 20 5 CEBDMN CCN(CC)C(=O)CSCc1cc(O)ccc1[N+](=O)[O-] ZINC000436473807 395120063 /nfs/dbraw/zinc/12/00/63/395120063.db2.gz IIVLWJHNKXGGLJ-UHFFFAOYSA-N 0 1 298.364 2.402 20 5 CEBDMN CCO[C@@H]1C[C@H]1NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000522058862 395258814 /nfs/dbraw/zinc/25/88/14/395258814.db2.gz KWPRTJKHNJBRJG-DGCLKSJQSA-N 0 1 250.298 2.170 20 5 CEBDMN Cc1noc(C)c1NC(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000433932277 395260318 /nfs/dbraw/zinc/26/03/18/395260318.db2.gz QNDBIXGIUONRFU-UHFFFAOYSA-N 0 1 293.283 2.298 20 5 CEBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CC2(CCC2(F)F)C1 ZINC000359523806 155042459 /nfs/dbraw/zinc/04/24/59/155042459.db2.gz CHSMFIPECWBUOR-UHFFFAOYSA-N 0 1 298.245 2.172 20 5 CEBDMN CCc1[nH]nc(C(=O)N2CC[C@@H](CC3CC3)C2)c1[N+](=O)[O-] ZINC000359687221 155110630 /nfs/dbraw/zinc/11/06/30/155110630.db2.gz NYCJGCBBAYTZME-JTQLQIEISA-N 0 1 292.339 2.143 20 5 CEBDMN O=C(N[C@@H]1CCCCC12CCCC2)[C@@H]1CC1[N+](=O)[O-] ZINC000368289269 156313772 /nfs/dbraw/zinc/31/37/72/156313772.db2.gz XCGSWRFXMGAQCC-IJLUTSLNSA-N 0 1 266.341 2.271 20 5 CEBDMN CCc1[nH]nc(C(=O)N2CC(C)(C)[C@H]2C2CC2)c1[N+](=O)[O-] ZINC000368356173 156329072 /nfs/dbraw/zinc/32/90/72/156329072.db2.gz WXIWSIHCRFRXGM-GFCCVEGCSA-N 0 1 292.339 2.141 20 5 CEBDMN Cc1cccc(C(=O)Nc2ccc3[nH]nnc3c2)c1[N+](=O)[O-] ZINC000176726817 165172359 /nfs/dbraw/zinc/17/23/59/165172359.db2.gz QUNDKWGKEGOROB-UHFFFAOYSA-N 0 1 297.274 2.427 20 5 CEBDMN Cc1[nH]nc(C(=O)N2CC[C@@]3(CC[C@@H](C)C3)C2)c1[N+](=O)[O-] ZINC000408175361 165700260 /nfs/dbraw/zinc/70/02/60/165700260.db2.gz YLQXCDZBAJXHGF-YMTOWFKASA-N 0 1 292.339 2.279 20 5 CEBDMN C[C@@H](N[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1cn[nH]c1 ZINC000285302608 196245620 /nfs/dbraw/zinc/24/56/20/196245620.db2.gz SDMNIPPFACUOEG-DTWKUNHWSA-N 0 1 275.312 2.312 20 5 CEBDMN CC[C@@H]1c2ccsc2CCN1C(=O)[C@H]1CC1[N+](=O)[O-] ZINC000044400668 175170955 /nfs/dbraw/zinc/17/09/55/175170955.db2.gz BLFIATVZVGXTOD-AXFHLTTASA-N 0 1 280.349 2.249 20 5 CEBDMN CCCc1[nH]nc(C(=O)N2CC(C)=C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000436001871 419410945 /nfs/dbraw/zinc/41/09/45/419410945.db2.gz ORUNCGWZKUYGGU-SECBINFHSA-N 0 1 292.339 2.309 20 5 CEBDMN CCC[C@H](N[C@H]1COC[C@@H]1OC)c1cccc([N+](=O)[O-])c1 ZINC000289574518 278946840 /nfs/dbraw/zinc/94/68/40/278946840.db2.gz ACSVQZHPQDTGHL-KKUMJFAQSA-N 0 1 294.351 2.439 20 5 CEBDMN CCN(C)C(=O)[C@@H](NCc1ccccc1[N+](=O)[O-])C(C)C ZINC000296465465 279024827 /nfs/dbraw/zinc/02/48/27/279024827.db2.gz XMQJDFVOTFXRBI-AWEZNQCLSA-N 0 1 293.367 2.187 20 5 CEBDMN CC[C@@H]1CC[C@H](C)N1C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000271830047 280335254 /nfs/dbraw/zinc/33/52/54/280335254.db2.gz RYXRQTDZQLCQGT-IONNQARKSA-N 0 1 266.301 2.029 20 5 CEBDMN NC1(c2noc(-c3cc([N+](=O)[O-])c[nH]3)n2)CCCCC1 ZINC000424347776 281151454 /nfs/dbraw/zinc/15/14/54/281151454.db2.gz SFWORTXXPBCIGF-UHFFFAOYSA-N 0 1 277.284 2.091 20 5 CEBDMN Cc1cccc2c1CC[C@H]2NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000152738836 289097066 /nfs/dbraw/zinc/09/70/66/289097066.db2.gz AXLAPEHALNGJPW-LLVKDONJSA-N 0 1 286.291 2.044 20 5 CEBDMN CC(C)(C)c1nc(CNCc2ccccc2[N+](=O)[O-])n[nH]1 ZINC000459714838 290215971 /nfs/dbraw/zinc/21/59/71/290215971.db2.gz TYFBPNOXACYWKX-UHFFFAOYSA-N 0 1 289.339 2.300 20 5 CEBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@H]1CCCN(C)C1=O ZINC000532248274 313343690 /nfs/dbraw/zinc/34/36/90/313343690.db2.gz SNFXJDMAMBLGRZ-RISCZKNCSA-N 0 1 291.351 2.175 20 5 CEBDMN O=[N+]([O-])c1cccc2c1CCN(CCC1(O)CCC1)C2 ZINC000576364933 314269090 /nfs/dbraw/zinc/26/90/90/314269090.db2.gz DLPCOUICYVGJFE-UHFFFAOYSA-N 0 1 276.336 2.258 20 5 CEBDMN O=C(N[C@@H]1CCC[C@H](F)C1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000580567549 322327355 /nfs/dbraw/zinc/32/73/55/322327355.db2.gz CWOIPJLKQFPEDE-VHSXEESVSA-N 0 1 282.271 2.311 20 5 CEBDMN C[C@@H]1CC[C@H](C(=O)[O-])C[N@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000396960999 329318654 /nfs/dbraw/zinc/31/86/54/329318654.db2.gz BSXHZGYYCVRRMW-KOLCDFICSA-N 0 1 296.298 2.419 20 5 CEBDMN CC1(c2ccccc2)CCN(C(=O)[C@H]2CC2[N+](=O)[O-])CC1 ZINC000372198853 520784851 /nfs/dbraw/zinc/78/48/51/520784851.db2.gz AMBRHGHYHTVRII-KBPBESRZSA-N 0 1 288.347 2.232 20 5 CEBDMN Cc1ccccc1C1=CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000374634007 525084906 /nfs/dbraw/zinc/08/49/06/525084906.db2.gz XWXKQXVWJVUZDP-HUUCEWRRSA-N 0 1 286.331 2.276 20 5 CEBDMN COc1ccc([N+](=O)[O-])cc1C[N@H+](CC(=O)[O-])CC(C)C ZINC000062743128 525457819 /nfs/dbraw/zinc/45/78/19/525457819.db2.gz PILYKXCQIQGBOT-UHFFFAOYSA-N 0 1 296.323 2.146 20 5 CEBDMN Cc1cc([N+](=O)[O-])ccc1CN1CCCOCC1 ZINC000364877445 525562713 /nfs/dbraw/zinc/56/27/13/525562713.db2.gz GAEMUSVMCCZSIX-UHFFFAOYSA-N 0 1 250.298 2.126 20 5 CEBDMN O=C([C@H]1CC1[N+](=O)[O-])N1CC(Cc2ccccc2Cl)C1 ZINC000374548006 526565910 /nfs/dbraw/zinc/56/59/10/526565910.db2.gz ISJFCXQREFCKSC-WCQYABFASA-N 0 1 294.738 2.006 20 5 CEBDMN O=C(OC[C@@H]1CC=CCC1)c1ccc([N+](=O)[O-])[nH]1 ZINC000727634935 574453850 /nfs/dbraw/zinc/45/38/50/574453850.db2.gz RQKDTWZZEIYNNR-SECBINFHSA-N 0 1 250.254 2.436 20 5 CEBDMN Cc1ccc(NC(=O)CN(C)C2CCC2)cc1[N+](=O)[O-] ZINC000744409617 575120971 /nfs/dbraw/zinc/12/09/71/575120971.db2.gz ANYAQXJGCDPTSB-UHFFFAOYSA-N 0 1 277.324 2.326 20 5 CEBDMN CC1(C)CCN1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000750109974 575247947 /nfs/dbraw/zinc/24/79/47/575247947.db2.gz YQKVFQZKPKOZSO-LBPRGKRZSA-N 0 1 250.298 2.113 20 5 CEBDMN C[C@H]1CCCN1Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000751923282 575301299 /nfs/dbraw/zinc/30/12/99/575301299.db2.gz ASULATHDJKZWBY-NSHDSACASA-N 0 1 287.323 2.295 20 5 CEBDMN C[C@H]1C[N@@H+](Cc2ccccc2[N+](=O)[O-])CC[C@@H]1NC(=O)[O-] ZINC000739187090 602765598 /nfs/dbraw/zinc/76/55/98/602765598.db2.gz HHOJLQYKAMYSFM-JQWIXIFHSA-N 0 1 293.323 2.073 20 5 CEBDMN CN(C[C@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000828230499 604088919 /nfs/dbraw/zinc/08/89/19/604088919.db2.gz QIKFWDRYQGGYMK-CYBMUJFWSA-N 0 1 293.323 2.169 20 5 CEBDMN O=C([O-])C[N@@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)C1CC1 ZINC000833249497 604790023 /nfs/dbraw/zinc/79/00/23/604790023.db2.gz RXBBRMYOFUEIBA-UHFFFAOYSA-N 0 1 284.699 2.297 20 5 CEBDMN C[C@H]1CCN(Cc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000932345765 622640726 /nfs/dbraw/zinc/64/07/26/622640726.db2.gz PRHBAIBOZCUTRD-NSHDSACASA-N 0 1 250.298 2.206 20 5 CEBDMN COc1c(O)ccc(CN(C)[C@@H]2CCSC2)c1[N+](=O)[O-] ZINC000891603610 623820553 /nfs/dbraw/zinc/82/05/53/623820553.db2.gz ZPWWZOICKRWSDK-SNVBAGLBSA-N 0 1 298.364 2.246 20 5 CEBDMN CO[C@H]1CC[C@H]1N(C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000934122426 624245763 /nfs/dbraw/zinc/24/57/63/624245763.db2.gz TVVBAFIHCQKRBA-YPMHNXCESA-N 0 1 291.307 2.345 20 5 CEBDMN O=C([O-])C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])C1CC1 ZINC000901975550 634390608 /nfs/dbraw/zinc/39/06/08/634390608.db2.gz QVFMABGOPSCRIQ-HWKANZROSA-N 0 1 276.292 2.157 20 5 CEBDMN CN(Cc1cc(F)ccc1[N+](=O)[O-])C[C@H]1CCOC1 ZINC000178356525 628193017 /nfs/dbraw/zinc/19/30/17/628193017.db2.gz SXIFFHRWVXUZLV-SNVBAGLBSA-N 0 1 268.288 2.202 20 5 CEBDMN CC(=O)OC[C@H](C)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000893278591 628231939 /nfs/dbraw/zinc/23/19/39/628231939.db2.gz HQWZAVBGFOKFCK-UWVGGRQHSA-N 0 1 266.297 2.197 20 5 CEBDMN C[C@H]1CN(Cc2cc([N+](=O)[O-])ccc2Cl)CCN1C ZINC000104128416 628580324 /nfs/dbraw/zinc/58/03/24/628580324.db2.gz SFZPALPRTRKJAP-JTQLQIEISA-N 0 1 283.759 2.384 20 5 CEBDMN CC[C@H](C)NC(=O)CN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000932181816 628983811 /nfs/dbraw/zinc/98/38/11/628983811.db2.gz DRWBSENCTPNMNK-WDEREUQCSA-N 0 1 279.340 2.160 20 5 CEBDMN O=C(OCc1cc(Cl)ccc1F)[C@@H]1CC1[N+](=O)[O-] ZINC000840673652 629361686 /nfs/dbraw/zinc/36/16/86/629361686.db2.gz XCGPMYVGIVRZQE-PSASIEDQSA-N 0 1 273.647 2.188 20 5 CEBDMN O=C(OC[C@H]1CCCCC1(F)F)[C@@H]1CC1[N+](=O)[O-] ZINC000840674648 629372876 /nfs/dbraw/zinc/37/28/76/629372876.db2.gz ODGJGUMLMDLNSW-IWSPIJDZSA-N 0 1 263.240 2.020 20 5 CEBDMN CC1(C)CC[C@@H](COC(=O)c2ccc([N+](=O)[O-])[nH]2)O1 ZINC000792028131 629472551 /nfs/dbraw/zinc/47/25/51/629472551.db2.gz AZIGSLDZJUOSMS-QMMMGPOBSA-N 0 1 268.269 2.037 20 5 CEBDMN COc1c(O)ccc(CN2CC[C@H](SC)C2)c1[N+](=O)[O-] ZINC000894692165 629591103 /nfs/dbraw/zinc/59/11/03/629591103.db2.gz PEWMNIYDQPYAQY-JTQLQIEISA-N 0 1 298.364 2.246 20 5 CEBDMN CN1C[C@H]2CC[C@@H](C1)N2c1ccc2ncccc2c1[N+](=O)[O-] ZINC000894879945 629714779 /nfs/dbraw/zinc/71/47/79/629714779.db2.gz YXFMDFZYPZXXFR-TXEJJXNPSA-N 0 1 298.346 2.426 20 5 CEBDMN CCOC(CN(C)CCc1ccccc1[N+](=O)[O-])OCC ZINC000796113898 629774314 /nfs/dbraw/zinc/77/43/14/629774314.db2.gz PPXFQRHGSDPQFN-UHFFFAOYSA-N 0 1 296.367 2.468 20 5 CEBDMN CC1=NO[C@@H](CNCc2cccc([N+](=O)[O-])c2C)C1 ZINC000895302956 630095156 /nfs/dbraw/zinc/09/51/56/630095156.db2.gz XYPYRFHYNIILMM-GFCCVEGCSA-N 0 1 263.297 2.158 20 5 CEBDMN CC(C)c1ccc(CN2C[C@H]3C[C@@]3(O)C2)cc1[N+](=O)[O-] ZINC000895649369 630283721 /nfs/dbraw/zinc/28/37/21/630283721.db2.gz PSBSWKVHGYBVMX-IUODEOHRSA-N 0 1 276.336 2.285 20 5 CEBDMN CC(C)[C@H](C(=O)OCCc1ccc([N+](=O)[O-])cc1)N(C)C ZINC000798855612 630941246 /nfs/dbraw/zinc/94/12/46/630941246.db2.gz RILUKJBTIMROOD-CQSZACIVSA-N 0 1 294.351 2.267 20 5 CEBDMN CN(C)c1cc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])ccc1Cl ZINC000928716438 631133314 /nfs/dbraw/zinc/13/33/14/631133314.db2.gz QUXIDNIPQPAOLL-PSASIEDQSA-N 0 1 283.715 2.010 20 5 CEBDMN COC(=O)/C(C)=C\CN(C)CCc1cccc([N+](=O)[O-])c1 ZINC000801601817 631298268 /nfs/dbraw/zinc/29/82/68/631298268.db2.gz OWMQMRILLDDFIW-GHXNOFRVSA-N 0 1 292.335 2.188 20 5 CEBDMN O=C(O[C@@H]1CCc2cccnc21)c1ccc([N+](=O)[O-])[nH]1 ZINC000802223360 631404489 /nfs/dbraw/zinc/40/44/89/631404489.db2.gz RCOGRWIAOYWSNB-SNVBAGLBSA-N 0 1 273.248 2.162 20 5 CEBDMN C[C@@H](CNCc1ccon1)c1ccccc1[N+](=O)[O-] ZINC000897464058 631531829 /nfs/dbraw/zinc/53/18/29/631531829.db2.gz JZWATMICFNVQAC-JTQLQIEISA-N 0 1 261.281 2.476 20 5 CEBDMN CC(C)[C@@H]1CC[C@@H](C)C[C@H]1NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840271559 632602520 /nfs/dbraw/zinc/60/25/20/632602520.db2.gz ZJAUQENUZRCBHY-NZEXEKPDSA-N 0 1 268.357 2.229 20 5 CEBDMN COc1cc([N+](=O)[O-])ccc1-n1[nH]c(CC2CC2)cc1=O ZINC000899350067 632799851 /nfs/dbraw/zinc/79/98/51/632799851.db2.gz SKCPTCPUGNYTMY-UHFFFAOYSA-N 0 1 289.291 2.496 20 5 CEBDMN O=[N+]([O-])c1ccnn1CN1CC[C@@H](C2CCCC2)C1 ZINC000817368441 633642489 /nfs/dbraw/zinc/64/24/89/633642489.db2.gz IPFACPPQWCWHMD-GFCCVEGCSA-N 0 1 264.329 2.261 20 5 CEBDMN O=C(Nc1cc(F)ccc1OC(F)F)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000840393455 634236414 /nfs/dbraw/zinc/23/64/14/634236414.db2.gz ADYQGPCLCNPIOG-HTRCEHHLSA-N 0 1 290.197 2.031 20 5 CEBDMN CC(C)[C@H]1c2ccccc2CCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840395531 634247133 /nfs/dbraw/zinc/24/71/33/634247133.db2.gz IJTIBUMVJNQWNO-KFWWJZLASA-N 0 1 288.347 2.434 20 5 CEBDMN C[C@H](CN[C@@H](C)c1cnn(C)n1)c1ccccc1[N+](=O)[O-] ZINC000903245228 635026203 /nfs/dbraw/zinc/02/62/03/635026203.db2.gz KRWQTIPBCQVPKP-MNOVXSKESA-N 0 1 289.339 2.178 20 5 CEBDMN CCN1CCC[C@H](N[C@@H](C)c2ccc([N+](=O)[O-])cc2)C1=O ZINC000903392987 635089652 /nfs/dbraw/zinc/08/96/52/635089652.db2.gz CTARULKNYNJROR-FZMZJTMJSA-N 0 1 291.351 2.256 20 5 CEBDMN CCN1CCC[C@H](N[C@@H](C)c2cccc([N+](=O)[O-])c2)C1=O ZINC000903393989 635090305 /nfs/dbraw/zinc/09/03/05/635090305.db2.gz WWKZRTSVQSASDP-FZMZJTMJSA-N 0 1 291.351 2.256 20 5 CEBDMN O=[N+]([O-])c1ccc(-c2noc([C@H]3CCCCN3)n2)o1 ZINC000823270169 635119534 /nfs/dbraw/zinc/11/95/34/635119534.db2.gz OEASHNSRLMOBOU-SSDOTTSWSA-N 0 1 264.241 2.052 20 5 CEBDMN C[C@@]1(C(=O)OCc2cc(O)ccc2[N+](=O)[O-])CCCOC1 ZINC000837621333 639312303 /nfs/dbraw/zinc/31/23/03/639312303.db2.gz HLHFOSWXLGUFCQ-CQSZACIVSA-N 0 1 295.291 2.160 20 5 CEBDMN CC(F)(F)CC(=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837667859 639334173 /nfs/dbraw/zinc/33/41/73/639334173.db2.gz JZBLDDQFEIGRIK-UHFFFAOYSA-N 0 1 275.207 2.389 20 5 CEBDMN C[C@@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccc(F)c(F)c1 ZINC000840672041 639521439 /nfs/dbraw/zinc/52/14/39/639521439.db2.gz CRUGIDPLFFJTDW-AZTOOPQRSA-N 0 1 271.219 2.234 20 5 CEBDMN C[C@@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1cccc(Cl)c1 ZINC000840672492 639521474 /nfs/dbraw/zinc/52/14/74/639521474.db2.gz RQQIDFAHJLIKBZ-AVPPRXQKSA-N 0 1 297.694 2.120 20 5 CEBDMN CCCOc1ccc(OC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC000841007696 639616623 /nfs/dbraw/zinc/61/66/23/639616623.db2.gz RNJVNDZWDFYSCI-VXGBXAGGSA-N 0 1 265.265 2.046 20 5 CEBDMN CC(C)CO[C@@H]1C[C@H](OC(=O)[C@@H]2CC2[N+](=O)[O-])C1(C)C ZINC000842310191 640007741 /nfs/dbraw/zinc/00/77/41/640007741.db2.gz WMDCVTLLFLBWMW-KKOKHZNYSA-N 0 1 285.340 2.035 20 5 CEBDMN Cc1cnc(CNC2CC(n3cc([N+](=O)[O-])cn3)C2)s1 ZINC000877043599 650544057 /nfs/dbraw/zinc/54/40/57/650544057.db2.gz KVINDRGCJZMJEL-UHFFFAOYSA-N 0 1 293.352 2.050 20 5 CEBDMN C[C@H]1CCN1C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC000914155002 640244207 /nfs/dbraw/zinc/24/42/07/640244207.db2.gz RERUCVCCVDESLY-VIFPVBQESA-N 0 1 286.291 2.219 20 5 CEBDMN Cc1cccc(C2(NC(=O)[C@@H]3CC3[N+](=O)[O-])CCC2)c1 ZINC000843686023 640498017 /nfs/dbraw/zinc/49/80/17/640498017.db2.gz UHSHRHNELKBBBY-CHWSQXEVSA-N 0 1 274.320 2.156 20 5 CEBDMN Cc1cc(-c2noc(CC(F)(F)CN)n2)cc([N+](=O)[O-])c1 ZINC000844921100 640866599 /nfs/dbraw/zinc/86/65/99/640866599.db2.gz YACCFBYJBPMNIM-UHFFFAOYSA-N 0 1 298.249 2.090 20 5 CEBDMN O=C(Nc1ccccc1NC1CCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000846436347 641303259 /nfs/dbraw/zinc/30/32/59/641303259.db2.gz BNTNGSCPQBQHHD-ZWNOBZJWSA-N 0 1 275.308 2.255 20 5 CEBDMN Cc1cc(-c2ncco2)ccc1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000848119900 641899583 /nfs/dbraw/zinc/89/95/83/641899583.db2.gz ZNHXNCQDGQDUIQ-ZYHUDNBSSA-N 0 1 287.275 2.254 20 5 CEBDMN CCN(CC)C(=O)CN[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000848527066 642034539 /nfs/dbraw/zinc/03/45/39/642034539.db2.gz QQMLXWBUIICWPR-ZDUSSCGKSA-N 0 1 291.351 2.040 20 5 CEBDMN Cc1ccc(CNCc2cnn(CCF)c2)cc1[N+](=O)[O-] ZINC000922316734 643023059 /nfs/dbraw/zinc/02/30/59/643023059.db2.gz SNHZYWJPEUDVTJ-UHFFFAOYSA-N 0 1 292.314 2.359 20 5 CEBDMN C[C@H](OC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)c1nnc[nH]1 ZINC000853224954 643712611 /nfs/dbraw/zinc/71/26/11/643712611.db2.gz JWWQKBLSTXESDN-IUCAKERBSA-N 0 1 290.279 2.121 20 5 CEBDMN O=[N+]([O-])c1ccc(-c2ncn(CN3CC[C@@H]4C[C@@H]4C3)n2)cc1 ZINC000853581280 643822337 /nfs/dbraw/zinc/82/23/37/643822337.db2.gz UHZWTUSAHCFMHL-CHWSQXEVSA-N 0 1 299.334 2.153 20 5 CEBDMN CC[C@@H]1OCC[C@H]1NCc1cc(F)ccc1[N+](=O)[O-] ZINC000839198084 644191905 /nfs/dbraw/zinc/19/19/05/644191905.db2.gz GJJKSVHQKKVDOW-YPMHNXCESA-N 0 1 268.288 2.391 20 5 CEBDMN CC(C)(O)[C@H]1CCC[N@@H+](Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000877796978 650913886 /nfs/dbraw/zinc/91/38/86/650913886.db2.gz OJKMHQPYRPFBRC-LBPRGKRZSA-N 0 1 294.351 2.283 20 5 CEBDMN CCOc1cc(CN2CCN(C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000755064198 644466298 /nfs/dbraw/zinc/46/62/98/644466298.db2.gz JFLGVDREUJBMRR-LBPRGKRZSA-N 0 1 293.367 2.129 20 5 CEBDMN CC(=O)c1cccc(COC(=O)c2ccc([N+](=O)[O-])[nH]2)c1 ZINC000755109104 644471722 /nfs/dbraw/zinc/47/17/22/644471722.db2.gz FPCXYUVGRGKEQI-UHFFFAOYSA-N 0 1 288.259 2.483 20 5 CEBDMN C[C@H](Cc1ccccc1Cl)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839534555 644738275 /nfs/dbraw/zinc/73/82/75/644738275.db2.gz GLMDBMBUTGXODK-HLUHBDAQSA-N 0 1 282.727 2.052 20 5 CEBDMN CC[C@H](C)Oc1cccc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 ZINC000839573996 644746613 /nfs/dbraw/zinc/74/66/13/644746613.db2.gz IKARWVOHAPCCQC-ZWKOPEQDSA-N 0 1 278.308 2.468 20 5 CEBDMN CC[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])C1CCCCC1 ZINC000839620711 644756703 /nfs/dbraw/zinc/75/67/03/644756703.db2.gz BOXGJQURQYPUNR-GRYCIOLGSA-N 0 1 254.330 2.127 20 5 CEBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(c2ccccc2F)CC1 ZINC000839685830 644772937 /nfs/dbraw/zinc/77/29/37/644772937.db2.gz JBKLPSZKLGTCOM-TZMCWYRMSA-N 0 1 292.310 2.197 20 5 CEBDMN Cc1ccc(C[C@H](C)N(C)C(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC000839687729 644774664 /nfs/dbraw/zinc/77/46/64/644774664.db2.gz JHDPIWYIKRBETH-IACUBPJLSA-N 0 1 276.336 2.050 20 5 CEBDMN COc1ccc([C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C(C)C)cc1 ZINC000839690301 644775092 /nfs/dbraw/zinc/77/50/92/644775092.db2.gz WZZCIDDVFWYTFY-MCIONIFRSA-N 0 1 292.335 2.174 20 5 CEBDMN CC[C@H]1c2ccccc2CCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839707211 644787224 /nfs/dbraw/zinc/78/72/24/644787224.db2.gz CLYDBPUIRBWOEB-HZSPNIEDSA-N 0 1 274.320 2.188 20 5 CEBDMN CC[C@@H](CSc1ccccc1)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839714346 644789885 /nfs/dbraw/zinc/78/98/85/644789885.db2.gz YPXHHKVGMSQELA-CYZMBNFOSA-N 0 1 294.376 2.339 20 5 CEBDMN Cc1nn(CN2CC[C@H](C3CC3)C2)c(C)c1[N+](=O)[O-] ZINC000763333640 645534185 /nfs/dbraw/zinc/53/41/85/645534185.db2.gz QXGDNMGYDWZITP-LBPRGKRZSA-N 0 1 264.329 2.098 20 5 CEBDMN C[C@H](NC[C@@H]1CC2(CC2)C(=O)O1)c1ccccc1[N+](=O)[O-] ZINC000763756384 645574904 /nfs/dbraw/zinc/57/49/04/645574904.db2.gz ADYVEDMBIZPDEA-QWRGUYRKSA-N 0 1 290.319 2.341 20 5 CEBDMN CCN(CC)C(=O)CN[C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000765333881 645757750 /nfs/dbraw/zinc/75/77/50/645757750.db2.gz MIWUSMGAZOFNMN-GFCCVEGCSA-N 0 1 293.367 2.422 20 5 CEBDMN C[C@@H]1[C@H](C)N(C)CCN1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000771458310 646521348 /nfs/dbraw/zinc/52/13/48/646521348.db2.gz GIVCECDYALEYKI-WDEREUQCSA-N 0 1 281.331 2.258 20 5 CEBDMN C[C@H]1CN(c2cccc(F)c2[N+](=O)[O-])[C@@H](C)CN1C ZINC000785836711 647961757 /nfs/dbraw/zinc/96/17/57/647961757.db2.gz CKULFBONQFVYKW-UWVGGRQHSA-N 0 1 267.304 2.263 20 5 CEBDMN CCC(CC)(CNC(=O)[C@@H]1CC1[N+](=O)[O-])C(F)(F)F ZINC000871265115 649051700 /nfs/dbraw/zinc/05/17/00/649051700.db2.gz AIZPXWDLFDEXOP-HTQZYQBOSA-N 0 1 282.262 2.137 20 5 CEBDMN COC[C@H](C)N[C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872017266 649242073 /nfs/dbraw/zinc/24/20/73/649242073.db2.gz XXSMJFQZLXFSKO-IUCAKERBSA-N 0 1 256.277 2.419 20 5 CEBDMN C[C@@H](N[C@H]1CCC(=O)N(C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872037169 649249332 /nfs/dbraw/zinc/24/93/32/649249332.db2.gz BNGRUHPHOXCJMO-ZJUUUORDSA-N 0 1 295.314 2.005 20 5 CEBDMN C[C@@H](NCC1(CO)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872041994 649251476 /nfs/dbraw/zinc/25/14/76/649251476.db2.gz YPKOXDUWZURMOL-SECBINFHSA-N 0 1 268.288 2.157 20 5 CEBDMN COC[C@H](CN[C@@H](C)c1c(F)cccc1[N+](=O)[O-])OC ZINC000872059227 649257569 /nfs/dbraw/zinc/25/75/69/649257569.db2.gz BPOAWGCZMTYZHO-UWVGGRQHSA-N 0 1 286.303 2.046 20 5 CEBDMN COC[C@@H](CN[C@H](C)c1c(F)cccc1[N+](=O)[O-])OC ZINC000872059226 649257948 /nfs/dbraw/zinc/25/79/48/649257948.db2.gz BPOAWGCZMTYZHO-NXEZZACHSA-N 0 1 286.303 2.046 20 5 CEBDMN C[C@H]1c2sccc2CCN1CCn1cc([N+](=O)[O-])cn1 ZINC000880376523 651432845 /nfs/dbraw/zinc/43/28/45/651432845.db2.gz IJEQCWLKANOBOR-JTQLQIEISA-N 0 1 292.364 2.472 20 5 CEBDMN C[C@H]1CN(c2cc([N+](=O)[O-])cc(Cl)n2)[C@@H](C)CN1C ZINC001164630044 719151750 /nfs/dbraw/zinc/15/17/50/719151750.db2.gz FULNUZQBLJDRIJ-IUCAKERBSA-N 0 1 284.747 2.172 20 5 CEBDMN O=[N+]([O-])c1cc(Cl)ccc1CN[C@@H]1CC12CC(O)C2 ZINC000724997879 803383800 /nfs/dbraw/zinc/38/38/00/803383800.db2.gz KSIYNJVYXOGHNF-YXMLORGKSA-N 0 1 282.727 2.251 20 5 CEBDMN COc1ccc(O[C@@H]2CCCN(C)C2)c([N+](=O)[O-])c1 ZINC001225770601 805278860 /nfs/dbraw/zinc/27/88/60/805278860.db2.gz YYJDTFGAFWQVDW-LLVKDONJSA-N 0 1 266.297 2.076 20 5 CEBDMN CC[C@H](C)[C@@H](C(=O)[O-])[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001119607004 815137992 /nfs/dbraw/zinc/13/79/92/815137992.db2.gz VHWMSELDUXJHQZ-HZMBPMFUSA-N 0 1 292.335 2.452 20 5 CEBDMN NCc1nccnc1Nc1ccnc2c1cccc2[N+](=O)[O-] ZINC001171449086 815142084 /nfs/dbraw/zinc/14/20/84/815142084.db2.gz INLHXQCMNBNUOO-UHFFFAOYSA-N 0 1 296.290 2.135 20 5 CEBDMN CC[S@](=O)CCNCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000132713996 809234334 /nfs/dbraw/zinc/23/43/34/809234334.db2.gz AJLUSOIDDHPYCK-GOSISDBHSA-N 0 1 290.772 2.106 20 5 CEBDMN O=[N+]([O-])c1ccc(CN2CCC23CCOCC3)cc1F ZINC000707134471 809881628 /nfs/dbraw/zinc/88/16/28/809881628.db2.gz AYNULUPTGOQGDE-UHFFFAOYSA-N 0 1 280.299 2.489 20 5 CEBDMN C[C@H](NC(=O)[C@@](C)(N)c1cccc([N+](=O)[O-])c1)C1CCC1 ZINC001122367432 815405418 /nfs/dbraw/zinc/40/54/18/815405418.db2.gz BXVILNMFQQIKGL-BONVTDFDSA-N 0 1 291.351 2.074 20 5 CEBDMN O=[N+]([O-])C[C@H]1CC[C@H](N2CC(OCc3ccccc3)C2)C1 ZINC001169027468 811339863 /nfs/dbraw/zinc/33/98/63/811339863.db2.gz QBENRFGDJNUXJU-GJZGRUSLSA-N 0 1 290.363 2.333 20 5 CEBDMN Cc1cnc(CN)n1-c1ccc2cnccc2c1[N+](=O)[O-] ZINC001169029875 811343023 /nfs/dbraw/zinc/34/30/23/811343023.db2.gz WPAWWQBQPLAICM-UHFFFAOYSA-N 0 1 283.291 2.096 20 5 CEBDMN CN(Cc1cscn1)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169040363 811350774 /nfs/dbraw/zinc/35/07/74/811350774.db2.gz ZJPOKPIGGHRJLQ-KOLCDFICSA-N 0 1 255.343 2.020 20 5 CEBDMN C[C@H]1[C@H](C)N(c2ccc([N+](=O)[O-])cc2F)CCN1C ZINC000771287898 811954450 /nfs/dbraw/zinc/95/44/50/811954450.db2.gz NFSMVNPMTHJCCC-UWVGGRQHSA-N 0 1 267.304 2.263 20 5 CEBDMN O=C(O[C@@H]1CCCC=C1Br)[C@@H]1CC1[N+](=O)[O-] ZINC001123381119 815513084 /nfs/dbraw/zinc/51/30/84/815513084.db2.gz AQWNXVJHYOIHBQ-FTLITQJKSA-N 0 1 290.113 2.026 20 5 CEBDMN O=[N+]([O-])c1ccc2c(c1)CC[C@@H](N1CC3(CCO3)C1)CC2 ZINC001172915247 815544001 /nfs/dbraw/zinc/54/40/01/815544001.db2.gz MQANNJAINZBVCO-AWEZNQCLSA-N 0 1 288.347 2.317 20 5 CEBDMN CCN1CC[C@@H]1CNc1ccc(F)cc1[N+](=O)[O-] ZINC000712616973 814758186 /nfs/dbraw/zinc/75/81/86/814758186.db2.gz SNFTYLSEHNNEFA-SNVBAGLBSA-N 0 1 253.277 2.240 20 5 CEBDMN CC(C)c1n[nH]c(NC(=O)c2ccc([N+](=O)[O-])s2)n1 ZINC001115946989 814762388 /nfs/dbraw/zinc/76/23/88/814762388.db2.gz AHWQSMIFRJRLKF-UHFFFAOYSA-N 0 1 281.297 2.150 20 5 CEBDMN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1C[C@H](F)C[C@H](CO)C1 ZINC001173224365 815627417 /nfs/dbraw/zinc/62/74/17/815627417.db2.gz FFCWOBMQFXWXQT-KWCYVHTRSA-N 0 1 296.342 2.178 20 5 CEBDMN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1C[C@H]2CC[C@@H](C1)O2 ZINC001173223099 815627430 /nfs/dbraw/zinc/62/74/30/815627430.db2.gz XQWYCNGHJFPCOK-DFBGVHRSSA-N 0 1 276.336 2.389 20 5 CEBDMN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ncccc1[O-] ZINC001173233185 815632954 /nfs/dbraw/zinc/63/29/54/815632954.db2.gz HJFUXUKUFDGZRQ-NSHDSACASA-N 0 1 287.319 2.416 20 5 CEBDMN Nc1ccc(NC(=O)c2ccc(F)c(O)c2)cc1[N+](=O)[O-] ZINC001141767746 816585679 /nfs/dbraw/zinc/58/56/79/816585679.db2.gz QITKDGGYQCYKEC-UHFFFAOYSA-N 0 1 291.238 2.274 20 5 CEBDMN CC(C)(CCC(=O)Nc1ncc(C(F)(F)F)[nH]1)[N+](=O)[O-] ZINC000294964223 199272980 /nfs/dbraw/zinc/27/29/80/199272980.db2.gz NKYZPHZHOUKJSC-UHFFFAOYSA-N 0 1 294.233 2.203 20 5 CEBDMN Cc1ccc([C@H](C)N[C@@H](C)C(=O)N(C)C)cc1[N+](=O)[O-] ZINC000036793829 361857815 /nfs/dbraw/zinc/85/78/15/361857815.db2.gz TVGQGTYRBGLZDJ-QWRGUYRKSA-N 0 1 279.340 2.031 20 5 CEBDMN C[C@H](Cc1ccccc1[N+](=O)[O-])NCc1ccn(C)n1 ZINC000449209389 282142769 /nfs/dbraw/zinc/14/27/69/282142769.db2.gz QLIWXIAZYJXNFI-LLVKDONJSA-N 0 1 274.324 2.049 20 5 CEBDMN Cc1ccc([C@H](C)N[C@H](C)C(=O)N(C)C)cc1[N+](=O)[O-] ZINC000036793831 361858629 /nfs/dbraw/zinc/85/86/29/361858629.db2.gz TVGQGTYRBGLZDJ-WDEREUQCSA-N 0 1 279.340 2.031 20 5 CEBDMN C[C@@H](Cn1ccnc1)NCc1csc([N+](=O)[O-])c1 ZINC000037563126 361904875 /nfs/dbraw/zinc/90/48/75/361904875.db2.gz YYNZEKNPURKKHL-VIFPVBQESA-N 0 1 266.326 2.031 20 5 CEBDMN CCOC(=O)[C@@H]1CC[C@H](NCc2csc([N+](=O)[O-])c2)C1 ZINC000125827894 187201677 /nfs/dbraw/zinc/20/16/77/187201677.db2.gz YOJIQKFDSULOJK-MNOVXSKESA-N 0 1 298.364 2.478 20 5 CEBDMN CCc1nc(CNc2ccc([N+](=O)[O-])cc2C)n[nH]1 ZINC000294997699 199291899 /nfs/dbraw/zinc/29/18/99/199291899.db2.gz RKOIQEDIBNAATH-UHFFFAOYSA-N 0 1 261.285 2.196 20 5 CEBDMN Cc1ccc([N+](=O)[O-])cc1OCc1nc(C(C)(C)N)no1 ZINC000043402669 343463787 /nfs/dbraw/zinc/46/37/87/343463787.db2.gz SXCLVASOAYQWQD-UHFFFAOYSA-N 0 1 292.295 2.059 20 5 CEBDMN CC(C)CN(C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000065961684 343705227 /nfs/dbraw/zinc/70/52/27/343705227.db2.gz IQPHWQVEHNEKGC-UHFFFAOYSA-N 0 1 291.351 2.072 20 5 CEBDMN C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC(CC(N)=O)CC1 ZINC000075638807 343860782 /nfs/dbraw/zinc/86/07/82/343860782.db2.gz IGDXTQRCDWCMLP-NSHDSACASA-N 0 1 291.351 2.243 20 5 CEBDMN Cc1ccc(-c2ncco2)cc1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000089618305 344125752 /nfs/dbraw/zinc/12/57/52/344125752.db2.gz QMNQPHXOEPZNNN-ZYHUDNBSSA-N 0 1 287.275 2.254 20 5 CEBDMN C[C@@H](O)C[C@@H]1CCC[N@H+]1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000093482061 344225314 /nfs/dbraw/zinc/22/53/14/344225314.db2.gz ZQABMDDBNVOEGN-PWSUYJOCSA-N 0 1 280.324 2.036 20 5 CEBDMN CCC[C@H]1CN(Cc2cc(O)ccc2[N+](=O)[O-])CCO1 ZINC000093508457 344225940 /nfs/dbraw/zinc/22/59/40/344225940.db2.gz CPTVNPQSWOSSBO-ZDUSSCGKSA-N 0 1 280.324 2.301 20 5 CEBDMN Cc1cc(CN(C)Cc2cc(O)ccc2[N+](=O)[O-])no1 ZINC000092254073 344181931 /nfs/dbraw/zinc/18/19/31/344181931.db2.gz VGBWTZUVAVUHLI-UHFFFAOYSA-N 0 1 277.280 2.229 20 5 CEBDMN CCC[N@@H+]1CCC[C@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000092546173 344194497 /nfs/dbraw/zinc/19/44/97/344194497.db2.gz PHLZZUPQLVQKJK-LBPRGKRZSA-N 0 1 293.323 2.113 20 5 CEBDMN CCC[N@H+]1CCC[C@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000092546173 344194499 /nfs/dbraw/zinc/19/44/99/344194499.db2.gz PHLZZUPQLVQKJK-LBPRGKRZSA-N 0 1 293.323 2.113 20 5 CEBDMN O=[N+]([O-])c1ccc(CN2CC[C@]3(CCOC3)C2)c(F)c1 ZINC000153811632 344430652 /nfs/dbraw/zinc/43/06/52/344430652.db2.gz KBANXKJBGBZCRY-AWEZNQCLSA-N 0 1 280.299 2.346 20 5 CEBDMN COCCOCCNCc1ccc([N+](=O)[O-])cc1Cl ZINC000049963794 362387765 /nfs/dbraw/zinc/38/77/65/362387765.db2.gz LNRPISGGHZDNOM-UHFFFAOYSA-N 0 1 288.731 2.001 20 5 CEBDMN Cc1c(-c2nc([C@H]3CCCN3)no2)cccc1[N+](=O)[O-] ZINC000228560608 344560772 /nfs/dbraw/zinc/56/07/72/344560772.db2.gz ZIABULCQBROTBZ-SNVBAGLBSA-N 0 1 274.280 2.378 20 5 CEBDMN COc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H](CO)CC1 ZINC000293359081 344691931 /nfs/dbraw/zinc/69/19/31/344691931.db2.gz ZUFFTIKJGUSWTF-GFCCVEGCSA-N 0 1 294.351 2.198 20 5 CEBDMN C[C@H](C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)C1CC1)C(=O)[O-] ZINC000584639145 344971471 /nfs/dbraw/zinc/97/14/71/344971471.db2.gz XVVQDPAVPQUBTC-LLVKDONJSA-N 0 1 292.335 2.322 20 5 CEBDMN C[C@@H]1CN(CCCOc2ccc([N+](=O)[O-])cc2)[C@H](C)CO1 ZINC000055901588 362555642 /nfs/dbraw/zinc/55/56/42/362555642.db2.gz BCZRPONZAYWBND-CHWSQXEVSA-N 0 1 294.351 2.473 20 5 CEBDMN CC[C@H]1C[C@H](NCc2ccccc2[N+](=O)[O-])CO1 ZINC000594926875 345704827 /nfs/dbraw/zinc/70/48/27/345704827.db2.gz XBJIJRCUAQXISA-RYUDHWBXSA-N 0 1 250.298 2.252 20 5 CEBDMN O=[N+]([O-])c1cc(F)ccc1CN(CCCCO)C1CC1 ZINC000595334570 345764345 /nfs/dbraw/zinc/76/43/45/345764345.db2.gz UZUZOFFKFREBEC-UHFFFAOYSA-N 0 1 282.315 2.471 20 5 CEBDMN COc1ccc([N+](=O)[O-])cc1CN1C[C@H](C)C(O)[C@@H](C)C1 ZINC000595752318 345867010 /nfs/dbraw/zinc/86/70/10/345867010.db2.gz XFHVFQIBCPVFOQ-QWRGUYRKSA-N 0 1 294.351 2.052 20 5 CEBDMN COc1ccc([N+](=O)[O-])cc1CN1C[C@H]2COC[C@@]2(C)C1 ZINC000595756757 345868627 /nfs/dbraw/zinc/86/86/27/345868627.db2.gz WNUWSCGZRHVVPR-SWLSCSKDSA-N 0 1 292.335 2.072 20 5 CEBDMN Cc1cc(C[C@H](C)Nc2c(Cl)cncc2[N+](=O)[O-])[nH]n1 ZINC000596166881 345958293 /nfs/dbraw/zinc/95/82/93/345958293.db2.gz ZASYPUIEIMEKMZ-ZETCQYMHSA-N 0 1 295.730 2.140 20 5 CEBDMN Cc1ccc([C@@H](C)NC(=O)C2(N(C)C)CC2)cc1[N+](=O)[O-] ZINC000597348409 346175343 /nfs/dbraw/zinc/17/53/43/346175343.db2.gz GYBXHIVPARJBNP-LLVKDONJSA-N 0 1 291.351 2.175 20 5 CEBDMN CCC[C@@]1(CO)CC[N@@H+](Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000339202175 215010869 /nfs/dbraw/zinc/01/08/69/215010869.db2.gz HOQHGWLIFDCASG-OAHLLOKOSA-N 0 1 294.351 2.285 20 5 CEBDMN COC(=O)[C@@H]1CCN([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000339221413 215020781 /nfs/dbraw/zinc/02/07/81/215020781.db2.gz BCEXSVPYOHINSD-CMPLNLGQSA-N 0 1 278.308 2.151 20 5 CEBDMN C[C@@H](O)CN(C)Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602607040 347098148 /nfs/dbraw/zinc/09/81/48/347098148.db2.gz FTHSFEZSAGDHRU-MRVPVSSYSA-N 0 1 292.257 2.426 20 5 CEBDMN O=[N+]([O-])c1cccc(F)c1CN1CC[C@@H]2CC[C@@H](O)[C@@H]21 ZINC000599680355 346563278 /nfs/dbraw/zinc/56/32/78/346563278.db2.gz AXERSVUPXVZBPA-CUOATXAZSA-N 0 1 280.299 2.079 20 5 CEBDMN C[C@]1(C(=O)[O-])CCC[N@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000600711846 346675667 /nfs/dbraw/zinc/67/56/67/346675667.db2.gz ZHPKCFFBEAUALE-CYBMUJFWSA-N 0 1 282.271 2.173 20 5 CEBDMN Cc1[nH]nc(C(=O)N2C[C@@H]3CCCC[C@@]32C)c1[N+](=O)[O-] ZINC000600757741 346684722 /nfs/dbraw/zinc/68/47/22/346684722.db2.gz MFLUQNVWQRXNME-ZANVPECISA-N 0 1 278.312 2.031 20 5 CEBDMN Cc1c(CNC(=O)CN(C)C2CCC2)cccc1[N+](=O)[O-] ZINC000600824505 346697672 /nfs/dbraw/zinc/69/76/72/346697672.db2.gz BRGLLTOWPMLNDX-UHFFFAOYSA-N 0 1 291.351 2.004 20 5 CEBDMN CCC[C@@H](CNCc1nc2cc([N+](=O)[O-])ccc2[nH]1)OC ZINC000602635713 347116434 /nfs/dbraw/zinc/11/64/34/347116434.db2.gz BKOWXGRKAODOOF-NSHDSACASA-N 0 1 292.339 2.376 20 5 CEBDMN C[C@H]1C[C@H](NCCc2ccc([N+](=O)[O-])cc2)c2ncnn21 ZINC000602705481 347160115 /nfs/dbraw/zinc/16/01/15/347160115.db2.gz GNOSLCOMMGRHSY-GWCFXTLKSA-N 0 1 287.323 2.024 20 5 CEBDMN CCN1[C@H](C)CN(C(=O)c2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000603141540 347296223 /nfs/dbraw/zinc/29/62/23/347296223.db2.gz DIZKTOUPXMUJLO-TXEJJXNPSA-N 0 1 291.351 2.150 20 5 CEBDMN CCN1[C@H](C)CN(C(=O)c2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000603144209 347297214 /nfs/dbraw/zinc/29/72/14/347297214.db2.gz VGCQBMBMVVDCFQ-TXEJJXNPSA-N 0 1 291.351 2.150 20 5 CEBDMN CC[C@@]1(O)CCCN(Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000602981402 347264988 /nfs/dbraw/zinc/26/49/88/347264988.db2.gz CNQPLVTZCMTTDC-OAHLLOKOSA-N 0 1 294.351 2.340 20 5 CEBDMN O=[N+]([O-])c1ccc2oc(CN(CCCO)C3CC3)nc2c1 ZINC000610581714 347693203 /nfs/dbraw/zinc/69/32/03/347693203.db2.gz FIVANWCXMJECSQ-UHFFFAOYSA-N 0 1 291.307 2.083 20 5 CEBDMN CC[N@H+](Cc1cc([O-])ccc1[N+](=O)[O-])C[C@H]1CCOC1 ZINC000611256702 347759404 /nfs/dbraw/zinc/75/94/04/347759404.db2.gz QJWQYMHIGIBDOG-LLVKDONJSA-N 0 1 280.324 2.159 20 5 CEBDMN C[C@@H]1CCN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000611265127 347759882 /nfs/dbraw/zinc/75/98/82/347759882.db2.gz WZBMPSJFKGYKQY-SNVBAGLBSA-N 0 1 278.308 2.208 20 5 CEBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC[C@@H]1C1CC1 ZINC000611555929 347793930 /nfs/dbraw/zinc/79/39/30/347793930.db2.gz NAPACKLSEWEDCN-CYBMUJFWSA-N 0 1 276.292 2.315 20 5 CEBDMN CCCc1[nH]nc(C(=O)N2CC[C@H](C)[C@@H](F)C2)c1[N+](=O)[O-] ZINC000611505262 347787123 /nfs/dbraw/zinc/78/71/23/347787123.db2.gz AMAJGKXSBCDSGF-IUCAKERBSA-N 0 1 298.318 2.091 20 5 CEBDMN CCN1CCN([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000066405212 362864174 /nfs/dbraw/zinc/86/41/74/362864174.db2.gz RTMAGSVRGZKXAQ-GFCCVEGCSA-N 0 1 263.341 2.293 20 5 CEBDMN COc1cc(CN(C)[C@H]2CCCOC2)ccc1[N+](=O)[O-] ZINC000352223306 219370278 /nfs/dbraw/zinc/37/02/78/219370278.db2.gz VAZXBIZCONKAKB-LBPRGKRZSA-N 0 1 280.324 2.214 20 5 CEBDMN CN(CC1CCC1)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000111070782 186350724 /nfs/dbraw/zinc/35/07/24/186350724.db2.gz BGDCTEOLCBGZML-UHFFFAOYSA-N 0 1 288.307 2.343 20 5 CEBDMN C[C@H]1CCC[C@H]1CNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000339790440 215339667 /nfs/dbraw/zinc/33/96/67/215339667.db2.gz CEDBBLODNHTJLO-UWVGGRQHSA-N 0 1 278.308 2.466 20 5 CEBDMN CC[C@@H](C)N1CCN(c2c([N+](=O)[O-])nc(C)n2CC)CC1 ZINC000450863760 282809277 /nfs/dbraw/zinc/80/92/77/282809277.db2.gz UDSKLHWYRSWLMC-LLVKDONJSA-N 0 1 295.387 2.040 20 5 CEBDMN C[C@@H]1C[C@H]1c1ccc(CNCCn2cc([N+](=O)[O-])cn2)o1 ZINC000151257852 187954647 /nfs/dbraw/zinc/95/46/47/187954647.db2.gz IYALZCBCRBRYEK-ZWNOBZJWSA-N 0 1 290.323 2.298 20 5 CEBDMN O=[N+]([O-])c1cc(CN[C@@H]2C[C@H]3CC[C@@H]2O3)cs1 ZINC000152950759 188054784 /nfs/dbraw/zinc/05/47/84/188054784.db2.gz RWWMMMRJELDJKC-BBBLOLIVSA-N 0 1 254.311 2.066 20 5 CEBDMN Cc1cc(C(=O)N(C)[C@H]2CCCN(C)C2)cc([N+](=O)[O-])c1 ZINC000153926914 188112651 /nfs/dbraw/zinc/11/26/51/188112651.db2.gz ICKUIRQHFVSYEA-ZDUSSCGKSA-N 0 1 291.351 2.069 20 5 CEBDMN C[C@H](C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)C(=O)[O-] ZINC000570051799 299234055 /nfs/dbraw/zinc/23/40/55/299234055.db2.gz WJTUMCVSDOBNCK-SNVBAGLBSA-N 0 1 278.308 2.280 20 5 CEBDMN CC[C@@H]1CC[C@H](C)N(Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000451958444 283152161 /nfs/dbraw/zinc/15/21/61/283152161.db2.gz WEZIHQXDSFZWIE-WDEREUQCSA-N 0 1 266.345 2.339 20 5 CEBDMN CCOc1cc(CN2C[C@@H](C)C[C@H](O)C2)ccc1[N+](=O)[O-] ZINC000452067722 283176264 /nfs/dbraw/zinc/17/62/64/283176264.db2.gz IXELBPMEUTYSOM-AAEUAGOBSA-N 0 1 294.351 2.196 20 5 CEBDMN CCc1[nH]nc(C(=O)N2CC3(C2)CCCCC3)c1[N+](=O)[O-] ZINC000273782325 192304775 /nfs/dbraw/zinc/30/47/75/192304775.db2.gz TUOXAKCAORWVOZ-UHFFFAOYSA-N 0 1 292.339 2.287 20 5 CEBDMN CC1(F)CC(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000452280172 283241046 /nfs/dbraw/zinc/24/10/46/283241046.db2.gz PQXYXFJYIXXOEG-UHFFFAOYSA-N 0 1 292.270 2.092 20 5 CEBDMN C[C@@H](O)CCN(C)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000135535167 366453149 /nfs/dbraw/zinc/45/31/49/366453149.db2.gz CRGCYSDNHCWRTO-SECBINFHSA-N 0 1 272.732 2.451 20 5 CEBDMN O=[N+]([O-])c1cnc(NCc2n[nH]c(C3CC3)n2)c(Cl)c1 ZINC000294914586 199245991 /nfs/dbraw/zinc/24/59/91/199245991.db2.gz INUNEWXFVHYTMG-UHFFFAOYSA-N 0 1 294.702 2.251 20 5 CEBDMN C[N@@H+](Cc1cc([O-])ccc1[N+](=O)[O-])C1CCC(O)CC1 ZINC000339114426 366657929 /nfs/dbraw/zinc/65/79/29/366657929.db2.gz XDBBPTOQNDQFTL-UHFFFAOYSA-N 0 1 280.324 2.036 20 5 CEBDMN CCc1[nH]nc(C(=O)N2CC[C@@H](C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000178895647 189152929 /nfs/dbraw/zinc/15/29/29/189152929.db2.gz MJYKUOHNKFAKEX-ZJUUUORDSA-N 0 1 294.355 2.389 20 5 CEBDMN Cc1[nH]ncc1CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000083798002 363787333 /nfs/dbraw/zinc/78/73/33/363787333.db2.gz IMYPMUPLTVDTIW-UHFFFAOYSA-N 0 1 294.698 2.210 20 5 CEBDMN C[C@H](c1ccco1)N(C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090520568 364062652 /nfs/dbraw/zinc/06/26/52/364062652.db2.gz VWQQJTFHYQOIEX-LLVKDONJSA-N 0 1 291.307 2.043 20 5 CEBDMN Cc1[nH]nc(C(=O)N2C[C@H](C)C[C@H](C)[C@H]2C)c1[N+](=O)[O-] ZINC000356674685 370791703 /nfs/dbraw/zinc/79/17/03/370791703.db2.gz XXPORKKVWOUMDE-KHQFGBGNSA-N 0 1 280.328 2.133 20 5 CEBDMN CC(C)[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])c1ccccc1 ZINC000119362638 365262383 /nfs/dbraw/zinc/26/23/83/365262383.db2.gz LUBARWWIZJCJAJ-GFCCVEGCSA-N 0 1 288.307 2.445 20 5 CEBDMN Cc1nc([C@H](C)Nc2nc3ccccc3cc2[N+](=O)[O-])n[nH]1 ZINC000343915531 368072525 /nfs/dbraw/zinc/07/25/25/368072525.db2.gz GXNIFEIQSSZTPC-QMMMGPOBSA-N 0 1 298.306 2.165 20 5 CEBDMN CCc1[nH]nc(C(=O)N2CC[C@@H](CC(C)C)C2)c1[N+](=O)[O-] ZINC000185774398 368857414 /nfs/dbraw/zinc/85/74/14/368857414.db2.gz BGHHTPBFPYTKGQ-JTQLQIEISA-N 0 1 294.355 2.389 20 5 CEBDMN CCc1[nH]nc(C(=O)N(C)C(C2CC2)C2CC2)c1[N+](=O)[O-] ZINC000188324834 369338324 /nfs/dbraw/zinc/33/83/24/369338324.db2.gz MCZRLJCZPRABOA-UHFFFAOYSA-N 0 1 292.339 2.141 20 5 CEBDMN CCOc1ccc([N+](=O)[O-])cc1CN[C@H]1C[C@H](O)C1(C)C ZINC000189338608 369500534 /nfs/dbraw/zinc/50/05/34/369500534.db2.gz GXNASLBRVIPJJQ-KBPBESRZSA-N 0 1 294.351 2.243 20 5 CEBDMN CO[C@H]1CN(Cc2ccccc2[N+](=O)[O-])CC[C@H]1C ZINC000189284981 369489911 /nfs/dbraw/zinc/48/99/11/369489911.db2.gz HIOFTXZJUYPNJA-RISCZKNCSA-N 0 1 264.325 2.452 20 5 CEBDMN CC[N@H+]1CCCC[C@@H]1CNc1ncc([N+](=O)[O-])s1 ZINC000190328227 369613992 /nfs/dbraw/zinc/61/39/92/369613992.db2.gz NLBNOGZPKRYTRA-SECBINFHSA-N 0 1 270.358 2.338 20 5 CEBDMN CCN1CCCC[C@@H]1CNc1ncc([N+](=O)[O-])s1 ZINC000190328227 369613996 /nfs/dbraw/zinc/61/39/96/369613996.db2.gz NLBNOGZPKRYTRA-SECBINFHSA-N 0 1 270.358 2.338 20 5 CEBDMN COC(=O)C(C)(C)CCNCc1ccc([N+](=O)[O-])cc1F ZINC000352899158 369940044 /nfs/dbraw/zinc/94/00/44/369940044.db2.gz BRSFRBHUFUCETO-UHFFFAOYSA-N 0 1 298.314 2.413 20 5 CEBDMN O=C(NC1Cc2ccccc2C1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000358459200 371074338 /nfs/dbraw/zinc/07/43/38/371074338.db2.gz CUOGITURXZEDHZ-UHFFFAOYSA-N 0 1 298.298 2.198 20 5 CEBDMN C[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)[C@H]1CO ZINC000249006463 371282130 /nfs/dbraw/zinc/28/21/30/371282130.db2.gz ZOMLEFKTLYFQBV-RNCFNFMXSA-N 0 1 284.743 2.451 20 5 CEBDMN Cc1[nH]ncc1CNc1nc(C)cc(C)c1[N+](=O)[O-] ZINC000359081087 371330036 /nfs/dbraw/zinc/33/00/36/371330036.db2.gz HWFCGUBPPYTITD-UHFFFAOYSA-N 0 1 261.285 2.250 20 5 CEBDMN CCC[C@@H]1CNCCN1C(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000359212025 371376709 /nfs/dbraw/zinc/37/67/09/371376709.db2.gz KGLDASZGFXLXKF-SNVBAGLBSA-N 0 1 297.380 2.179 20 5 CEBDMN C[C@@H]1SCCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)[C@H]1C ZINC000269621878 372509242 /nfs/dbraw/zinc/50/92/42/372509242.db2.gz BDOUUKOJQLARCM-COPLHBTASA-N 0 1 296.392 2.454 20 5 CEBDMN O=C([C@H]1CC1[N+](=O)[O-])N1CCCC2(CCCCC2)C1 ZINC000362774353 372519789 /nfs/dbraw/zinc/51/97/89/372519789.db2.gz KCVZQTYOZQABCZ-RYUDHWBXSA-N 0 1 266.341 2.225 20 5 CEBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@H]1c1cccc(F)c1 ZINC000363022032 372615871 /nfs/dbraw/zinc/61/58/71/372615871.db2.gz IXZLLTFLPZBDJZ-FRRDWIJNSA-N 0 1 278.283 2.154 20 5 CEBDMN O=C(N[C@H](c1ccccn1)C1CCCC1)[C@@H]1CC1[N+](=O)[O-] ZINC000365584680 372898806 /nfs/dbraw/zinc/89/88/06/372898806.db2.gz MINYZWOAQOYEDF-XBFCOCLRSA-N 0 1 289.335 2.094 20 5 CEBDMN C[C@@H](CCNC(=O)c1n[nH]cc1[N+](=O)[O-])c1ccccc1 ZINC000270725968 372921136 /nfs/dbraw/zinc/92/11/36/372921136.db2.gz SOFOHPASVLLAKC-JTQLQIEISA-N 0 1 288.307 2.242 20 5 CEBDMN O=[N+]([O-])c1ccccc1CN1CCC[C@]12CCOC2 ZINC000367452365 373156866 /nfs/dbraw/zinc/15/68/66/373156866.db2.gz UGUZMIIIFORZOP-CQSZACIVSA-N 0 1 262.309 2.350 20 5 CEBDMN CC[C@H](C)c1nc([C@H](C)Nc2ncc([N+](=O)[O-])cn2)n[nH]1 ZINC000276761822 374292457 /nfs/dbraw/zinc/29/24/57/374292457.db2.gz AHLQBJQHMOVQHE-YUMQZZPRSA-N 0 1 291.315 2.190 20 5 CEBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(c2cccc(F)c2)CC1 ZINC000374068959 374481003 /nfs/dbraw/zinc/48/10/03/374481003.db2.gz XRYBPNIFGXNLMP-KGLIPLIRSA-N 0 1 292.310 2.197 20 5 CEBDMN Cc1c(CN2C[C@H](O)C(C)(C)C2)cccc1[N+](=O)[O-] ZINC000279731787 374969347 /nfs/dbraw/zinc/96/93/47/374969347.db2.gz JRGDCPLPIKKQGO-ZDUSSCGKSA-N 0 1 264.325 2.106 20 5 CEBDMN COc1cccc(NCC[N@@H+]2CC=CCC2)c1[N+](=O)[O-] ZINC000280309874 375165198 /nfs/dbraw/zinc/16/51/98/375165198.db2.gz SDVWHLLHOLJUET-UHFFFAOYSA-N 0 1 277.324 2.277 20 5 CEBDMN COc1cccc(NCCN2CC=CCC2)c1[N+](=O)[O-] ZINC000280309874 375165203 /nfs/dbraw/zinc/16/52/03/375165203.db2.gz SDVWHLLHOLJUET-UHFFFAOYSA-N 0 1 277.324 2.277 20 5 CEBDMN CC1=C(C)CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1 ZINC000280318082 375166938 /nfs/dbraw/zinc/16/69/38/375166938.db2.gz XXEZLCIWSUAYKY-UHFFFAOYSA-N 0 1 276.292 2.483 20 5 CEBDMN O=[N+]([O-])c1ccc([O-])cc1C[N@@H+]1CCOCC2(CCC2)C1 ZINC000407993830 375392512 /nfs/dbraw/zinc/39/25/12/375392512.db2.gz UXCNBHVSXMVJTL-UHFFFAOYSA-N 0 1 292.335 2.303 20 5 CEBDMN O=[N+]([O-])c1ccc([O-])cc1C[N@H+]1CCOCC2(CCC2)C1 ZINC000407993830 375392516 /nfs/dbraw/zinc/39/25/16/375392516.db2.gz UXCNBHVSXMVJTL-UHFFFAOYSA-N 0 1 292.335 2.303 20 5 CEBDMN O=C(N[C@@H]1CC[C@@H]2CCC[C@@H]2C1)c1n[nH]cc1[N+](=O)[O-] ZINC000408031151 375396891 /nfs/dbraw/zinc/39/68/91/375396891.db2.gz KZSAAHVQBGCVFM-IVZWLZJFSA-N 0 1 278.312 2.017 20 5 CEBDMN C[C@@H]1CCC[C@H](CO)N1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000283072704 375648435 /nfs/dbraw/zinc/64/84/35/375648435.db2.gz KFKBVMLIIFZMQU-ZYHUDNBSSA-N 0 1 282.315 2.469 20 5 CEBDMN CCN1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000286556789 375993061 /nfs/dbraw/zinc/99/30/61/375993061.db2.gz STSFLARZPCYAMR-LLVKDONJSA-N 0 1 292.339 2.153 20 5 CEBDMN CC[C@@H](CN1CCN(c2cccc([N+](=O)[O-])c2)CC1)OC ZINC000419190617 376391053 /nfs/dbraw/zinc/39/10/53/376391053.db2.gz QWZWCNKJQYBJFT-HNNXBMFYSA-N 0 1 293.367 2.142 20 5 CEBDMN CC[C@H]1CN(C)CC[N@H+]1Cc1ccc([N+](=O)[O-])cc1C ZINC000556953457 376524621 /nfs/dbraw/zinc/52/46/21/376524621.db2.gz BKQABLYYDRUXAT-AWEZNQCLSA-N 0 1 277.368 2.429 20 5 CEBDMN Cc1[nH]nc(C(=O)N(CCC(C)C)C2CC2)c1[N+](=O)[O-] ZINC000264294368 190102043 /nfs/dbraw/zinc/10/20/43/190102043.db2.gz QLEIMISMHKOPIP-UHFFFAOYSA-N 0 1 280.328 2.277 20 5 CEBDMN CCN(Cc1ccc([N+](=O)[O-])cc1F)CC(C)(C)O ZINC000311646581 376679602 /nfs/dbraw/zinc/67/96/02/376679602.db2.gz DBTYWSZJIRCDTR-UHFFFAOYSA-N 0 1 270.304 2.327 20 5 CEBDMN COc1cc([N+](=O)[O-])ccc1CN1C[C@H](CO)C[C@H](C)C1 ZINC000420946962 376744981 /nfs/dbraw/zinc/74/49/81/376744981.db2.gz SRBNBTWYAFPLHE-NWDGAFQWSA-N 0 1 294.351 2.054 20 5 CEBDMN C[C@@H](O)[C@@H]1C[C@H](C)CC[N@H+]1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000330444421 377135021 /nfs/dbraw/zinc/13/50/21/377135021.db2.gz CFWASKKAZJSOFM-HFAKWTLXSA-N 0 1 294.351 2.282 20 5 CEBDMN CC[C@]1(C)CN(Cc2cc(O)ccc2[N+](=O)[O-])CCO1 ZINC000330463428 377147301 /nfs/dbraw/zinc/14/73/01/377147301.db2.gz ZLBIBJSYJUEKOF-CQSZACIVSA-N 0 1 280.324 2.301 20 5 CEBDMN COC[C@H]1CCN1Cc1ccc([N+](=O)[O-])cc1C ZINC000293548713 377623429 /nfs/dbraw/zinc/62/34/29/377623429.db2.gz DSLIPJFNJZEMQS-CYBMUJFWSA-N 0 1 250.298 2.124 20 5 CEBDMN CCSCCN1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000332668425 377661021 /nfs/dbraw/zinc/66/10/21/377661021.db2.gz GOOKTACVOCBHPN-UHFFFAOYSA-N 0 1 267.354 2.101 20 5 CEBDMN CN(C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1)C1CC1 ZINC000294364978 377984378 /nfs/dbraw/zinc/98/43/78/377984378.db2.gz MORZXYGFCGIRQS-UHFFFAOYSA-N 0 1 286.291 2.219 20 5 CEBDMN Cc1nc(NC[C@H](C)[N@H+]2CCC[C@H](C)C2)ncc1[N+](=O)[O-] ZINC000296541898 378568087 /nfs/dbraw/zinc/56/80/87/378568087.db2.gz NYISJZJAXLRNER-QWRGUYRKSA-N 0 1 293.371 2.226 20 5 CEBDMN CC[C@@H](N[C@@H]1CCCc2ccc([N+](=O)[O-])cc21)C(=O)NC ZINC000453413159 378894489 /nfs/dbraw/zinc/89/44/89/378894489.db2.gz SKMSBGNZSNNKKE-ZIAGYGMSSA-N 0 1 291.351 2.086 20 5 CEBDMN COC[C@H](NCc1ccc([N+](=O)[O-])cc1F)[C@H]1CCCO1 ZINC000278542317 194034603 /nfs/dbraw/zinc/03/46/03/194034603.db2.gz AABVGYJGTDYVLG-UONOGXRCSA-N 0 1 298.314 2.018 20 5 CEBDMN COC(=O)[C@H]1CCN(Cc2ccc(C)c([N+](=O)[O-])c2)[C@@H]1C ZINC000347271789 218174437 /nfs/dbraw/zinc/17/44/37/218174437.db2.gz SEVQPFVELVFMTJ-YPMHNXCESA-N 0 1 292.335 2.287 20 5 CEBDMN Cc1[nH]nc(C(=O)N(C)Cc2cccc(C)c2)c1[N+](=O)[O-] ZINC000299547689 379039010 /nfs/dbraw/zinc/03/90/10/379039010.db2.gz QDELZAJCCSXWRP-UHFFFAOYSA-N 0 1 288.307 2.207 20 5 CEBDMN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@H](C)C1 ZINC000299590763 379056866 /nfs/dbraw/zinc/05/68/66/379056866.db2.gz DUZDAKZYFPHRKM-WDEREUQCSA-N 0 1 277.324 2.264 20 5 CEBDMN Cc1[nH]nc(C(=O)N2C[C@@H](C(C)C)[C@H]2C(C)C)c1[N+](=O)[O-] ZINC000456291842 379374857 /nfs/dbraw/zinc/37/48/57/379374857.db2.gz AFJWELJRAUFZDV-CMPLNLGQSA-N 0 1 294.355 2.379 20 5 CEBDMN C[C@@H](O)[C@@H]1CCCCN1Cc1ccc([N+](=O)[O-])cc1F ZINC000304524908 379584594 /nfs/dbraw/zinc/58/45/94/379584594.db2.gz YYIXVUPCNXFSTP-YGRLFVJLSA-N 0 1 282.315 2.469 20 5 CEBDMN O=[N+]([O-])c1cc2ccccc2nc1Nc1cn[nH]c1 ZINC000352362153 285101495 /nfs/dbraw/zinc/10/14/95/285101495.db2.gz UOVYEPZHRMKQQX-UHFFFAOYSA-N 0 1 255.237 2.032 20 5 CEBDMN CN(Cc1ccccn1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000350447911 219022325 /nfs/dbraw/zinc/02/23/25/219022325.db2.gz CCCONFJFRJJVAP-UHFFFAOYSA-N 0 1 273.292 2.327 20 5 CEBDMN O=[N+]([O-])c1ccc2ccnc(N3CCCCN3)c2c1 ZINC000413284045 285147903 /nfs/dbraw/zinc/14/79/03/285147903.db2.gz UNGNWXRFLWSZMC-UHFFFAOYSA-N 0 1 258.281 2.248 20 5 CEBDMN CC[C@@H]1CN(CCOc2ccccc2[N+](=O)[O-])CCCO1 ZINC000281332069 195199864 /nfs/dbraw/zinc/19/98/64/195199864.db2.gz JKRASHSVFKZZMP-CYBMUJFWSA-N 0 1 294.351 2.475 20 5 CEBDMN O=[N+]([O-])c1ccc(CCN2CC[C@]23CCOC3)cc1 ZINC000421013160 394462086 /nfs/dbraw/zinc/46/20/86/394462086.db2.gz FUGMNRWVLRPVMZ-CQSZACIVSA-N 0 1 262.309 2.002 20 5 CEBDMN CCOc1cc(CN2C[C@@H](O)CC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000421022932 394468570 /nfs/dbraw/zinc/46/85/70/394468570.db2.gz PJXGWHQLPKFLIZ-AAEUAGOBSA-N 0 1 294.351 2.339 20 5 CEBDMN CO[C@H](C)CN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)C(C)C ZINC000356831089 394625013 /nfs/dbraw/zinc/62/50/13/394625013.db2.gz QLFKWQFEOABOJY-SNVBAGLBSA-N 0 1 296.323 2.186 20 5 CEBDMN O=C(N[C@@H]1CCC[C@H](C2CC2)C1)c1n[nH]cc1[N+](=O)[O-] ZINC000119685983 394770419 /nfs/dbraw/zinc/77/04/19/394770419.db2.gz ROVMWEPSHSHIAX-VHSXEESVSA-N 0 1 278.312 2.017 20 5 CEBDMN CC[N@@H+](CCCO)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000135581969 394967057 /nfs/dbraw/zinc/96/70/57/394967057.db2.gz DAVFDDYIMNQZPO-UHFFFAOYSA-N 0 1 272.732 2.453 20 5 CEBDMN CCN(CCCO)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000135581969 394967060 /nfs/dbraw/zinc/96/70/60/394967060.db2.gz DAVFDDYIMNQZPO-UHFFFAOYSA-N 0 1 272.732 2.453 20 5 CEBDMN COc1cc(CN[C@@]2(C)CCO[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000494237209 395101772 /nfs/dbraw/zinc/10/17/72/395101772.db2.gz JNUNXUXWSURLIZ-OTYXRUKQSA-N 0 1 298.314 2.400 20 5 CEBDMN CO[C@H](CNC(=O)c1cc(O)cc([N+](=O)[O-])c1)CC(C)C ZINC000416262084 395041199 /nfs/dbraw/zinc/04/11/99/395041199.db2.gz NVWXQVNADGPGKS-ZDUSSCGKSA-N 0 1 296.323 2.091 20 5 CEBDMN Cc1c(CN(C)[C@@H](CO)COC(C)C)cccc1[N+](=O)[O-] ZINC000433160065 395206498 /nfs/dbraw/zinc/20/64/98/395206498.db2.gz GGOHWTDIHGBIEA-AWEZNQCLSA-N 0 1 296.367 2.121 20 5 CEBDMN CC(C)c1[nH]nc(C(=O)N(C)Cc2ccoc2)c1[N+](=O)[O-] ZINC000433992183 395267196 /nfs/dbraw/zinc/26/71/96/395267196.db2.gz YYZCLHTYFFQASM-UHFFFAOYSA-N 0 1 292.295 2.307 20 5 CEBDMN CC(C)[C@@H]1CCCN(Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000444774464 395454406 /nfs/dbraw/zinc/45/44/06/395454406.db2.gz WIIRKFZATHLZEJ-LLVKDONJSA-N 0 1 266.345 2.196 20 5 CEBDMN CC(C)N(Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C[C@H](C)O ZINC000444610609 395439751 /nfs/dbraw/zinc/43/97/51/395439751.db2.gz OUUVAUSVWLMNFU-JTQLQIEISA-N 0 1 292.339 2.062 20 5 CEBDMN CC[C@H]1CN(C)CCN1Cc1ccc([N+](=O)[O-])cc1OC ZINC000566138853 395501773 /nfs/dbraw/zinc/50/17/73/395501773.db2.gz RMRPCJXFGPLYJM-ZDUSSCGKSA-N 0 1 293.367 2.129 20 5 CEBDMN CC1CN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)C1 ZINC000451432290 395618001 /nfs/dbraw/zinc/61/80/01/395618001.db2.gz OHMGTKNBBKGPOA-UHFFFAOYSA-N 0 1 286.291 2.077 20 5 CEBDMN C[N@@H+](CCn1cc([N+](=O)[O-])cn1)Cc1cccc2[nH]ccc21 ZINC000494019081 395678590 /nfs/dbraw/zinc/67/85/90/395678590.db2.gz RTLOIJLRDJMRAK-UHFFFAOYSA-N 0 1 299.334 2.405 20 5 CEBDMN CCCc1nsc(NCCc2ccccc2[N+](=O)[O-])n1 ZINC000360069234 155210173 /nfs/dbraw/zinc/21/01/73/155210173.db2.gz CVBVPKCTBNUSBC-UHFFFAOYSA-N 0 1 292.364 2.475 20 5 CEBDMN CCC[N@@H+](C)CC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000195009555 153273232 /nfs/dbraw/zinc/27/32/32/153273232.db2.gz FDWVTKQBJFAOGB-NSHDSACASA-N 0 1 279.340 2.114 20 5 CEBDMN COc1cc(CNc2ncccc2F)cc([N+](=O)[O-])c1O ZINC000195311531 153281364 /nfs/dbraw/zinc/28/13/64/153281364.db2.gz ZOJAERHYVBRSFC-UHFFFAOYSA-N 0 1 293.254 2.455 20 5 CEBDMN C[C@@H]1OCC[C@@]1(C)NCc1csc([N+](=O)[O-])c1 ZINC000230155391 153384191 /nfs/dbraw/zinc/38/41/91/153384191.db2.gz HGVRSEHTKOCQJY-GZMMTYOYSA-N 0 1 256.327 2.313 20 5 CEBDMN CC(C)[C@@H]1CCN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000331966623 154216255 /nfs/dbraw/zinc/21/62/55/154216255.db2.gz MNFYNBMSMIFWSK-LBPRGKRZSA-N 0 1 264.281 2.171 20 5 CEBDMN Cc1cc(=O)[nH]c(C=Cc2cc(O)ccc2[N+](=O)[O-])n1 ZINC000352025072 154320160 /nfs/dbraw/zinc/32/01/60/154320160.db2.gz CJXOHHIPBFVXNA-DJWKRKHSSA-N 0 1 273.248 2.275 20 5 CEBDMN CN(Cc1nc2cc([N+](=O)[O-])ccc2o1)[C@H]1CCC[C@@H]1O ZINC000352663878 154328542 /nfs/dbraw/zinc/32/85/42/154328542.db2.gz AFWZWJKPHHVVKI-RYUDHWBXSA-N 0 1 291.307 2.081 20 5 CEBDMN O=C([O-])[C@@H]1CCC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000164685505 162338357 /nfs/dbraw/zinc/33/83/57/162338357.db2.gz IIQULBAZKJLGGL-SECBINFHSA-N 0 1 282.271 2.031 20 5 CEBDMN O=C([O-])[C@@H]1CCC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000164685505 162338359 /nfs/dbraw/zinc/33/83/59/162338359.db2.gz IIQULBAZKJLGGL-SECBINFHSA-N 0 1 282.271 2.031 20 5 CEBDMN CC(C)[C@@H](O)CN(C)Cc1ccccc1[N+](=O)[O-] ZINC000284333904 196032589 /nfs/dbraw/zinc/03/25/89/196032589.db2.gz QOGGOWJKBCKYAW-ZDUSSCGKSA-N 0 1 252.314 2.044 20 5 CEBDMN O=C([O-])[C@H]1CCCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000035677956 172349176 /nfs/dbraw/zinc/34/91/76/172349176.db2.gz JKCKQZPXZAERDD-CYBMUJFWSA-N 0 1 278.308 2.076 20 5 CEBDMN CCC[C@H](C(=O)[O-])[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000517750862 260115687 /nfs/dbraw/zinc/11/56/87/260115687.db2.gz TVZPIBICRLIZFQ-GFCCVEGCSA-N 0 1 266.297 2.280 20 5 CEBDMN O=C(NC[C@@H]1C[C@H]1C1CCC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000424887745 264337347 /nfs/dbraw/zinc/33/73/47/264337347.db2.gz AXXOKWDITGTTGP-FZMZJTMJSA-N 0 1 290.319 2.466 20 5 CEBDMN COCC(C)(C)N(C)Cc1ccc([N+](=O)[O-])cc1OC ZINC000429265821 271317587 /nfs/dbraw/zinc/31/75/87/271317587.db2.gz RHJSBHKRJUOFJO-UHFFFAOYSA-N 0 1 282.340 2.460 20 5 CEBDMN COc1cc([N+](=O)[O-])ccc1CN(C)[C@H](CO)CC(C)C ZINC000430207410 271363764 /nfs/dbraw/zinc/36/37/64/271363764.db2.gz QIWSLKSARMQXRA-AWEZNQCLSA-N 0 1 296.367 2.442 20 5 CEBDMN COc1cc([N+](=O)[O-])ccc1CN1CCC(C)(CO)CC1 ZINC000430220664 271365462 /nfs/dbraw/zinc/36/54/62/271365462.db2.gz CIWKRVFNWKNSAL-UHFFFAOYSA-N 0 1 294.351 2.198 20 5 CEBDMN C[C@@H]1CN(C)CCN1c1nc2ccccc2cc1[N+](=O)[O-] ZINC000352369412 274334125 /nfs/dbraw/zinc/33/41/25/274334125.db2.gz YMSXVCWYSVGPNR-LLVKDONJSA-N 0 1 286.335 2.283 20 5 CEBDMN C[C@@H]1C[C@H](C)N(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000408160625 278005627 /nfs/dbraw/zinc/00/56/27/278005627.db2.gz WMEDYGUDVGOTDJ-BDAKNGLRSA-N 0 1 264.281 2.171 20 5 CEBDMN C[C@H]1CC2(CCC2)CN1Cc1c([N+](=O)[O-])ncn1C ZINC000365432930 278327487 /nfs/dbraw/zinc/32/74/87/278327487.db2.gz OTOFFWOIVHIFRZ-JTQLQIEISA-N 0 1 264.329 2.093 20 5 CEBDMN CC[C@H](NCC(=O)NCC(C)C)c1cccc([N+](=O)[O-])c1 ZINC000135740863 280054124 /nfs/dbraw/zinc/05/41/24/280054124.db2.gz ZURRIORGNAICFE-AWEZNQCLSA-N 0 1 293.367 2.408 20 5 CEBDMN CCOC(=O)[C@H](C)[C@H](C)NCc1csc([N+](=O)[O-])c1 ZINC000185715760 280126321 /nfs/dbraw/zinc/12/63/21/280126321.db2.gz BCQHYMJKAGBLRM-BDAKNGLRSA-N 0 1 286.353 2.334 20 5 CEBDMN Cc1cccc(C(=O)N2CCN(C)CC[C@@H]2C)c1[N+](=O)[O-] ZINC000353999786 281190293 /nfs/dbraw/zinc/19/02/93/281190293.db2.gz MWNGHKKWPGHBEK-LBPRGKRZSA-N 0 1 291.351 2.069 20 5 CEBDMN Cc1cccc([N+](=O)[O-])c1N1CC[C@H](N2CC=CC2)C1 ZINC000266245673 281260584 /nfs/dbraw/zinc/26/05/84/281260584.db2.gz MALVNKPTDRUUPV-ZDUSSCGKSA-N 0 1 273.336 2.354 20 5 CEBDMN CCc1[nH]nc(C(=O)N2C[C@@H](C)CC2(C)C)c1[N+](=O)[O-] ZINC000278666609 281363054 /nfs/dbraw/zinc/36/30/54/281363054.db2.gz SJOJGRPEGHQFAD-QMMMGPOBSA-N 0 1 280.328 2.141 20 5 CEBDMN Cc1cc(C)c([N+](=O)[O-])c(N2CCN(C)[C@@H](C(C)C)C2)n1 ZINC000487080531 290330898 /nfs/dbraw/zinc/33/08/98/290330898.db2.gz STIFYZPAXBBIGI-CYBMUJFWSA-N 0 1 292.383 2.383 20 5 CEBDMN C[C@@H]1CN(Cc2cc(O)ccc2[N+](=O)[O-])[C@@H](C)[C@H](C)O1 ZINC000339112774 297030044 /nfs/dbraw/zinc/03/00/44/297030044.db2.gz TVDRYMZGWOLAQF-VWYCJHECSA-N 0 1 280.324 2.298 20 5 CEBDMN C[C@@H]1CN(Cc2cc(O)ccc2[N+](=O)[O-])[C@@H](C)[C@@H](C)O1 ZINC000339112773 297030267 /nfs/dbraw/zinc/03/02/67/297030267.db2.gz TVDRYMZGWOLAQF-OUAUKWLOSA-N 0 1 280.324 2.298 20 5 CEBDMN CC/C=C\CCN1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000547350509 298364250 /nfs/dbraw/zinc/36/42/50/298364250.db2.gz ZPCGYRLBYSGBAN-ARJAWSKDSA-N 0 1 290.367 2.468 20 5 CEBDMN COc1ccc([N+](=O)[O-])cc1CNCc1cc[nH]c1 ZINC000175706838 312701774 /nfs/dbraw/zinc/70/17/74/312701774.db2.gz NGIUYWHHAVHKCC-UHFFFAOYSA-N 0 1 261.281 2.221 20 5 CEBDMN NC1(c2noc(/C=C\c3ccccc3[N+](=O)[O-])n2)CCC1 ZINC000568087136 313929488 /nfs/dbraw/zinc/92/94/88/313929488.db2.gz QLENKLKULCUUML-SREVYHEPSA-N 0 1 286.291 2.486 20 5 CEBDMN C[C@@H](C(=O)[O-])[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CCC1 ZINC000576718486 314305351 /nfs/dbraw/zinc/30/53/51/314305351.db2.gz BUYWPJMOKKQHDV-JTQLQIEISA-N 0 1 278.308 2.422 20 5 CEBDMN C[C@H]1CC[C@H](C(=O)[O-])C[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000397325744 329349873 /nfs/dbraw/zinc/34/98/73/329349873.db2.gz AERZKRXQYPCDSF-JQWIXIFHSA-N 0 1 278.308 2.280 20 5 CEBDMN CCCN(C)[C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000069091999 521513626 /nfs/dbraw/zinc/51/36/26/521513626.db2.gz GOGPSJHLUDVAHJ-SNVBAGLBSA-N 0 1 295.339 2.272 20 5 CEBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC=C(c2ccccc2F)CC1 ZINC000364966161 526507900 /nfs/dbraw/zinc/50/79/00/526507900.db2.gz FZRUPNJWVQWDDO-TZMCWYRMSA-N 0 1 290.294 2.107 20 5 CEBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@H]1/C=C/c1cccs1 ZINC000364941724 526509111 /nfs/dbraw/zinc/50/91/11/526509111.db2.gz LLSQJMZTHQPNJP-FSEPPJMSSA-N 0 1 292.360 2.418 20 5 CEBDMN O=C(CCc1cnc[nH]1)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000357167840 526635285 /nfs/dbraw/zinc/63/52/85/526635285.db2.gz MDZPYXUAWLSVJB-UHFFFAOYSA-N 0 1 278.243 2.028 20 5 CEBDMN Cc1noc(C)c1CNC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000749685328 574445076 /nfs/dbraw/zinc/44/50/76/574445076.db2.gz FIFCHJCXONZPIB-AWEZNQCLSA-N 0 1 291.307 2.023 20 5 CEBDMN CC(=CC(=O)Nc1nnc(C)[nH]1)c1ccc([N+](=O)[O-])cc1 ZINC000751983873 574475026 /nfs/dbraw/zinc/47/50/26/574475026.db2.gz UMVBPOSZKJMVFO-FPLPWBNLSA-N 0 1 287.279 2.063 20 5 CEBDMN CC(=CC(=O)Nc1nc(C)n[nH]1)c1ccc([N+](=O)[O-])cc1 ZINC000751983873 574475027 /nfs/dbraw/zinc/47/50/27/574475027.db2.gz UMVBPOSZKJMVFO-FPLPWBNLSA-N 0 1 287.279 2.063 20 5 CEBDMN Cc1nc(COC(=O)c2ccc([N+](=O)[O-])[nH]2)sc1C ZINC000744255495 575117400 /nfs/dbraw/zinc/11/74/00/575117400.db2.gz PZDGFOIIVBPXRZ-UHFFFAOYSA-N 0 1 281.293 2.353 20 5 CEBDMN O=[N+]([O-])c1ccc(NCc2n[nH]c(-c3ccccc3)n2)nc1 ZINC000750608520 575270403 /nfs/dbraw/zinc/27/04/03/575270403.db2.gz XKMLHZLBYCRMIS-UHFFFAOYSA-N 0 1 296.290 2.387 20 5 CEBDMN O=[N+]([O-])c1ccc(NCc2nc(-c3ccccc3)n[nH]2)nc1 ZINC000750608520 575270404 /nfs/dbraw/zinc/27/04/04/575270404.db2.gz XKMLHZLBYCRMIS-UHFFFAOYSA-N 0 1 296.290 2.387 20 5 CEBDMN CC(=CC(=O)Nc1nnc(C)[nH]1)c1ccc([N+](=O)[O-])cc1 ZINC000751983872 575303104 /nfs/dbraw/zinc/30/31/04/575303104.db2.gz UMVBPOSZKJMVFO-BQYQJAHWSA-N 0 1 287.279 2.063 20 5 CEBDMN CC(=CC(=O)Nc1nc(C)n[nH]1)c1ccc([N+](=O)[O-])cc1 ZINC000751983872 575303106 /nfs/dbraw/zinc/30/31/06/575303106.db2.gz UMVBPOSZKJMVFO-BQYQJAHWSA-N 0 1 287.279 2.063 20 5 CEBDMN C[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C[C@H]1C(=O)[O-] ZINC000235345398 601526276 /nfs/dbraw/zinc/52/62/76/601526276.db2.gz JBGBISMBBHOLDL-LDYMZIIASA-N 0 1 298.726 2.401 20 5 CEBDMN C[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000932345763 622640938 /nfs/dbraw/zinc/64/09/38/622640938.db2.gz PRHBAIBOZCUTRD-LLVKDONJSA-N 0 1 250.298 2.206 20 5 CEBDMN Cc1nn(CN2C[C@H]3CCCC[C@@H]3C2)c(C)c1[N+](=O)[O-] ZINC000176195958 624171922 /nfs/dbraw/zinc/17/19/22/624171922.db2.gz QNVNDZPCUGXDOI-CHWSQXEVSA-N 0 1 278.356 2.488 20 5 CEBDMN CCNCc1nc(-c2cc(C)cc([N+](=O)[O-])c2)no1 ZINC000843238981 625085903 /nfs/dbraw/zinc/08/59/03/625085903.db2.gz BUVGJCRWCABWAL-UHFFFAOYSA-N 0 1 262.269 2.063 20 5 CEBDMN CC(C)[C@@](C)(NCc1ccc(Cl)c([N+](=O)[O-])c1)C(N)=O ZINC000312311355 628226893 /nfs/dbraw/zinc/22/68/93/628226893.db2.gz ZSLLZXWJHYWZSX-CYBMUJFWSA-N 0 1 299.758 2.238 20 5 CEBDMN COc1cc(C)c(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c(C)c1C ZINC000840457773 634674746 /nfs/dbraw/zinc/67/47/46/634674746.db2.gz AMUJEPZAFLSKLL-GHMZBOCLSA-N 0 1 278.308 2.224 20 5 CEBDMN CC[C@H]1CN(C)CCN1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000821337336 634687969 /nfs/dbraw/zinc/68/79/69/634687969.db2.gz UGTCXWULQHZTKI-ZDUSSCGKSA-N 0 1 281.331 2.260 20 5 CEBDMN Cc1ccc(F)c([C@H](C)OC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC000841163527 629227104 /nfs/dbraw/zinc/22/71/04/629227104.db2.gz FXDLCEYXHDYULA-MKPLZMMCSA-N 0 1 267.256 2.404 20 5 CEBDMN COc1cc(COC(=O)[C@@H]2CC2[N+](=O)[O-])ccc1SC ZINC000840671559 629299028 /nfs/dbraw/zinc/29/90/28/629299028.db2.gz XBRCFZOKXLNLSH-NXEZZACHSA-N 0 1 297.332 2.126 20 5 CEBDMN O=C(OC[C@@H]1CCC2(CCCCC2)O1)[C@@H]1CC1[N+](=O)[O-] ZINC000840673505 629358213 /nfs/dbraw/zinc/35/82/13/629358213.db2.gz QOQRIKCAKGKGIV-QJPTWQEYSA-N 0 1 283.324 2.077 20 5 CEBDMN CC(C)c1n[nH]c(COC(=O)c2ccc([N+](=O)[O-])s2)n1 ZINC000795232919 629490885 /nfs/dbraw/zinc/49/08/85/629490885.db2.gz ASSJKLNUOHADFD-UHFFFAOYSA-N 0 1 296.308 2.255 20 5 CEBDMN CC(C)c1nc(COC(=O)c2ccc([N+](=O)[O-])s2)n[nH]1 ZINC000795232919 629490894 /nfs/dbraw/zinc/49/08/94/629490894.db2.gz ASSJKLNUOHADFD-UHFFFAOYSA-N 0 1 296.308 2.255 20 5 CEBDMN COc1cc(F)c([N+](=O)[O-])c(NCCN2CC=CCC2)c1 ZINC000795251286 629497687 /nfs/dbraw/zinc/49/76/87/629497687.db2.gz ISRKBJBRNFYLIR-UHFFFAOYSA-N 0 1 295.314 2.416 20 5 CEBDMN O=C(O[C@H]1CCC12CCC2)c1ccc([N+](=O)[O-])[nH]1 ZINC000821819704 634796530 /nfs/dbraw/zinc/79/65/30/634796530.db2.gz IFDDQHCZECBHPQ-VIFPVBQESA-N 0 1 250.254 2.412 20 5 CEBDMN CC(C)Oc1nc(N[C@@H]2CC[N@@H+](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000895736538 630326825 /nfs/dbraw/zinc/32/68/25/630326825.db2.gz KLNSZKIOUBXIJX-WDEREUQCSA-N 0 1 294.355 2.282 20 5 CEBDMN O=[N+]([O-])c1ccc(O)cc1CSCCSCCO ZINC000840207910 632268116 /nfs/dbraw/zinc/26/81/16/632268116.db2.gz ZEKUZEICJSUMPH-UHFFFAOYSA-N 0 1 289.378 2.259 20 5 CEBDMN Cc1nc([C@@H](C)OC(=O)c2cc(C)cc([N+](=O)[O-])c2)n[nH]1 ZINC000840225315 632346036 /nfs/dbraw/zinc/34/60/36/632346036.db2.gz LVGDYPGZORMVRA-MRVPVSSYSA-N 0 1 290.279 2.248 20 5 CEBDMN O=C(Oc1ccccc1Br)[C@@H]1CC1[N+](=O)[O-] ZINC000840247080 632493360 /nfs/dbraw/zinc/49/33/60/632493360.db2.gz WNEXLGJGRPWCOA-HTRCEHHLSA-N 0 1 286.081 2.020 20 5 CEBDMN CC(C)N(Cc1ccc(F)cc1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840295905 632732512 /nfs/dbraw/zinc/73/25/12/632732512.db2.gz VEVTYDRCVDIPTJ-CHWSQXEVSA-N 0 1 280.299 2.228 20 5 CEBDMN Cc1nc(-c2ccccc2)[nH]c1C(=O)O[C@H](C)C[N+](=O)[O-] ZINC000814036149 632777121 /nfs/dbraw/zinc/77/71/21/632777121.db2.gz TWZLEGVIUOUHAC-SECBINFHSA-N 0 1 289.291 2.207 20 5 CEBDMN CC1(C)[C@@H](c2ccccc2)CCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000817506739 633685664 /nfs/dbraw/zinc/68/56/64/633685664.db2.gz MMWIIUJQROMEHN-MGPQQGTHSA-N 0 1 288.347 2.446 20 5 CEBDMN Cc1nc(C)c(C(=O)N2CCc3c2cccc3[N+](=O)[O-])[nH]1 ZINC000900770783 633839232 /nfs/dbraw/zinc/83/92/32/633839232.db2.gz HXHQICZXWWNQQN-UHFFFAOYSA-N 0 1 286.291 2.138 20 5 CEBDMN Cc1cnc(CNC[C@@H](O)c2cccc([N+](=O)[O-])c2)s1 ZINC000819109243 634069833 /nfs/dbraw/zinc/06/98/33/634069833.db2.gz JCANCNGBCQYMRX-GFCCVEGCSA-N 0 1 293.348 2.183 20 5 CEBDMN O=C(OCc1cc2cc(F)ccc2[nH]1)[C@@H]1CC1[N+](=O)[O-] ZINC000822331465 634896922 /nfs/dbraw/zinc/89/69/22/634896922.db2.gz UWKPNEHBALUZMG-ZYHUDNBSSA-N 0 1 278.239 2.015 20 5 CEBDMN C[C@H](NC1CC(CC(N)=O)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000903253913 635030393 /nfs/dbraw/zinc/03/03/93/635030393.db2.gz OYOFFFQFZUBZOD-IDKOKCKLSA-N 0 1 295.314 2.039 20 5 CEBDMN O=[N+]([O-])CCN[C@H]1CCc2c1cccc2Br ZINC000905086169 635800544 /nfs/dbraw/zinc/80/05/44/635800544.db2.gz AQTUPJPKODQBHA-NSHDSACASA-N 0 1 285.141 2.303 20 5 CEBDMN CCc1nc2cc(CNCC[N+](=O)[O-])ccc2n1C1CC1 ZINC000905255901 636177876 /nfs/dbraw/zinc/17/78/76/636177876.db2.gz VKYQPBSRYJSERR-UHFFFAOYSA-N 0 1 288.351 2.300 20 5 CEBDMN C[C@H]1C[C@@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)CCS1 ZINC000834665460 637911594 /nfs/dbraw/zinc/91/15/94/637911594.db2.gz HPRGLRANJZXTJR-WPRPVWTQSA-N 0 1 296.348 2.314 20 5 CEBDMN CC[C@@H](C)[C@@H](COC(=O)c1ccc([N+](=O)[O-])[nH]1)OC ZINC000835636828 638337803 /nfs/dbraw/zinc/33/78/03/638337803.db2.gz ZTDBOVOPVAEFAX-PSASIEDQSA-N 0 1 270.285 2.141 20 5 CEBDMN C[C@H](C(=O)N1CCCCc2ccc([N+](=O)[O-])cc21)N(C)C ZINC000912652217 638756153 /nfs/dbraw/zinc/75/61/53/638756153.db2.gz CQIMNAQEURLQAY-LLVKDONJSA-N 0 1 291.351 2.214 20 5 CEBDMN O=C(OCc1cc(O)ccc1[N+](=O)[O-])[C@@H]1CCCS1 ZINC000837553971 639279404 /nfs/dbraw/zinc/27/94/04/639279404.db2.gz CURQMBXLNRMMDZ-NSHDSACASA-N 0 1 283.305 2.239 20 5 CEBDMN CC[C@H](NC)c1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000044626036 639349026 /nfs/dbraw/zinc/34/90/26/639349026.db2.gz KBSKXERQEKMSMM-JTQLQIEISA-N 0 1 262.269 2.315 20 5 CEBDMN O=C(OCc1cc(O)ccc1[N+](=O)[O-])[C@@H]1CCCSC1 ZINC000837739027 639368447 /nfs/dbraw/zinc/36/84/47/639368447.db2.gz WXXJOOKCCNVRAC-SECBINFHSA-N 0 1 297.332 2.487 20 5 CEBDMN CC(C)[C@H](N)c1noc(-c2ccc([N+](=O)[O-])s2)n1 ZINC000225434100 639497682 /nfs/dbraw/zinc/49/76/82/639497682.db2.gz RMTMQWVHLGVEPZ-QMMMGPOBSA-N 0 1 268.298 2.362 20 5 CEBDMN C[C@H](C[S@](C)=O)NCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000168187812 639563471 /nfs/dbraw/zinc/56/34/71/639563471.db2.gz JZCPNDDPRDGVMO-NTCNTBNZSA-N 0 1 290.772 2.105 20 5 CEBDMN COC(OC)[C@@H](C)NCc1cccc([N+](=O)[O-])c1C ZINC000231884294 639882178 /nfs/dbraw/zinc/88/21/78/639882178.db2.gz UJGGUIPRNWNDMX-SNVBAGLBSA-N 0 1 268.313 2.000 20 5 CEBDMN CC(C)CO[C@@H]1C[C@@H](OC(=O)[C@@H]2CC2[N+](=O)[O-])C1(C)C ZINC000842310189 640007983 /nfs/dbraw/zinc/00/79/83/640007983.db2.gz WMDCVTLLFLBWMW-DDHJBXDOSA-N 0 1 285.340 2.035 20 5 CEBDMN CCO[C@@H]1C[C@@H](OC(=O)[C@@H]2CC2[N+](=O)[O-])C12CCCCC2 ZINC000842314414 640009918 /nfs/dbraw/zinc/00/99/18/640009918.db2.gz YSIYGXNAWVHXBT-FDYHWXHSSA-N 0 1 297.351 2.323 20 5 CEBDMN O=C(OC[C@@H]1CC[C@@H](c2ccccc2)O1)[C@@H]1CC1[N+](=O)[O-] ZINC000842366524 640031220 /nfs/dbraw/zinc/03/12/20/640031220.db2.gz BHTZCUWKLUWENH-DGAVXFQQSA-N 0 1 291.303 2.115 20 5 CEBDMN CC(C)[C@H](N)c1noc(COc2cccc([N+](=O)[O-])c2)n1 ZINC000843147628 640306353 /nfs/dbraw/zinc/30/63/53/640306353.db2.gz CTJDHHZETUFRAC-LBPRGKRZSA-N 0 1 292.295 2.213 20 5 CEBDMN O=C1C[C@H](NCc2cc([N+](=O)[O-])ccc2Cl)CCCN1 ZINC000877087724 650565900 /nfs/dbraw/zinc/56/59/00/650565900.db2.gz QMDXIHXFROYIJK-SNVBAGLBSA-N 0 1 297.742 2.007 20 5 CEBDMN O=[N+]([O-])c1ccc(CN[C@@H]2COC[C@H]2C2CC2)c(F)c1 ZINC000914435322 640406772 /nfs/dbraw/zinc/40/67/72/640406772.db2.gz BILDKGQHAYXOIG-GXTWGEPZSA-N 0 1 280.299 2.249 20 5 CEBDMN C[C@@H]1CN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])C[C@@H](C)N1 ZINC000153586410 640552245 /nfs/dbraw/zinc/55/22/45/640552245.db2.gz XFISNFBKFOFRKO-RKDXNWHRSA-N 0 1 297.742 2.071 20 5 CEBDMN CCC(F)(F)C(C)(C)COC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000851510331 643044666 /nfs/dbraw/zinc/04/46/66/643044666.db2.gz WZIZLDCHBAHFOF-HTQZYQBOSA-N 0 1 265.256 2.266 20 5 CEBDMN CCn1nccc1CN[C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000853239208 643719231 /nfs/dbraw/zinc/71/92/31/643719231.db2.gz CECCSILEFOQRCT-SNVBAGLBSA-N 0 1 289.339 2.244 20 5 CEBDMN CN(Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1)C1CCC1 ZINC000853498340 643790579 /nfs/dbraw/zinc/79/05/79/643790579.db2.gz NRDLGOPJTSSVEM-UHFFFAOYSA-N 0 1 287.323 2.295 20 5 CEBDMN COCc1nc(CNc2cc(Cl)ccc2[N+](=O)[O-])n[nH]1 ZINC000853809492 643907729 /nfs/dbraw/zinc/90/77/29/643907729.db2.gz QFHBDHHDXJCJLS-UHFFFAOYSA-N 0 1 297.702 2.125 20 5 CEBDMN COCc1nnc(CNc2cc(Cl)ccc2[N+](=O)[O-])[nH]1 ZINC000853809492 643907730 /nfs/dbraw/zinc/90/77/30/643907730.db2.gz QFHBDHHDXJCJLS-UHFFFAOYSA-N 0 1 297.702 2.125 20 5 CEBDMN O=C(N[C@@H]1CCSc2ccc(F)cc21)[C@@H]1CC1[N+](=O)[O-] ZINC000839469869 644237284 /nfs/dbraw/zinc/23/72/84/644237284.db2.gz JHWAENWYHBLWSM-GMTAPVOTSA-N 0 1 296.323 2.144 20 5 CEBDMN CC(=Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1cnc[nH]1 ZINC000755393968 644513379 /nfs/dbraw/zinc/51/33/79/644513379.db2.gz UQLVBAYSENEZLD-UXBLZVDNSA-N 0 1 286.291 2.038 20 5 CEBDMN Cc1cccc2c1CCC[C@H]2NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000856300965 644633379 /nfs/dbraw/zinc/63/33/79/644633379.db2.gz CRRXQHOELFXFSN-MGPQQGTHSA-N 0 1 274.320 2.154 20 5 CEBDMN Cc1ccccc1[C@H]1CCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839552641 644739590 /nfs/dbraw/zinc/73/95/90/644739590.db2.gz KTZCGQLKGBVROU-MGPQQGTHSA-N 0 1 274.320 2.324 20 5 CEBDMN C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839684837 644771975 /nfs/dbraw/zinc/77/19/75/644771975.db2.gz CHLDSWZFNBXMOZ-WGEPELCKSA-N 0 1 292.310 2.195 20 5 CEBDMN CC(C)[C@@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1ccccc1 ZINC000839734761 644785815 /nfs/dbraw/zinc/78/58/15/644785815.db2.gz YFYUFPHGENIQEX-RBSFLKMASA-N 0 1 290.363 2.283 20 5 CEBDMN CC(C)CC[C@@H]1CCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839707399 644787770 /nfs/dbraw/zinc/78/77/70/644787770.db2.gz UNGCQYDCVBQNQT-QJPTWQEYSA-N 0 1 254.330 2.079 20 5 CEBDMN O=C(N[C@H]1CCCc2c(F)cc(F)cc21)[C@@H]1CC1[N+](=O)[O-] ZINC000839780020 644814266 /nfs/dbraw/zinc/81/42/66/644814266.db2.gz ORPPNWYPZDRIQJ-KGYLQXTDSA-N 0 1 296.273 2.124 20 5 CEBDMN C[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1cccc(C2CC2)c1 ZINC000839780969 644815008 /nfs/dbraw/zinc/81/50/08/644815008.db2.gz YXHCXKFQVKMISA-OWYVNGRQSA-N 0 1 274.320 2.406 20 5 CEBDMN CN(Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)CC1CC1 ZINC000877972961 650963327 /nfs/dbraw/zinc/96/33/27/650963327.db2.gz QMUFYUHPGGRENF-UHFFFAOYSA-N 0 1 288.307 2.487 20 5 CEBDMN O=[N+]([O-])c1c(N[C@@H]2CCCc3cn[nH]c32)nc2ccccn21 ZINC000765608847 645791872 /nfs/dbraw/zinc/79/18/72/645791872.db2.gz MHAWJNXEJLYZIQ-SNVBAGLBSA-N 0 1 298.306 2.455 20 5 CEBDMN O=C(OCCCc1ccco1)c1ccc([N+](=O)[O-])[nH]1 ZINC000861017228 645978366 /nfs/dbraw/zinc/97/83/66/645978366.db2.gz XKKOWVOUUBPQGA-UHFFFAOYSA-N 0 1 264.237 2.306 20 5 CEBDMN Cc1ccc(CNC2(C(N)=O)CCCCC2)cc1[N+](=O)[O-] ZINC000779432142 647323873 /nfs/dbraw/zinc/32/38/73/647323873.db2.gz LLLFPAAIYLWFKT-UHFFFAOYSA-N 0 1 291.351 2.181 20 5 CEBDMN C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])NCc1cc[nH]n1 ZINC000866264331 647704138 /nfs/dbraw/zinc/70/41/38/647704138.db2.gz YHPKLQJWZSKUHQ-VIFPVBQESA-N 0 1 278.287 2.178 20 5 CEBDMN CCN(CC)C(=O)CNCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783604937 647736552 /nfs/dbraw/zinc/73/65/52/647736552.db2.gz QXUPRFAZOADROB-UHFFFAOYSA-N 0 1 299.758 2.206 20 5 CEBDMN O=[N+]([O-])CCN1CC[C@H](CSc2ccccc2)C1 ZINC000791051602 648476135 /nfs/dbraw/zinc/47/61/35/648476135.db2.gz GJGCFELTKYTTAD-LBPRGKRZSA-N 0 1 266.366 2.377 20 5 CEBDMN C[C@H](NC[C@@]1(C)CCC(=O)N1)c1c(F)cccc1[N+](=O)[O-] ZINC000872077635 649265493 /nfs/dbraw/zinc/26/54/93/649265493.db2.gz KNSJSRJKSKVBLR-LKFCYVNXSA-N 0 1 295.314 2.053 20 5 CEBDMN CC[C@@H](O)CN[C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872086712 649269196 /nfs/dbraw/zinc/26/91/96/649269196.db2.gz YSRJKTAJVGWTRT-RKDXNWHRSA-N 0 1 256.277 2.155 20 5 CEBDMN O=C(O[C@@H]1CCO[C@H](c2ccccc2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000873619672 649711923 /nfs/dbraw/zinc/71/19/23/649711923.db2.gz JSRVTCKPHRIABC-SYQHCUMBSA-N 0 1 291.303 2.115 20 5 CEBDMN CC1(C)C[C@H](O)CN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000879618114 651330936 /nfs/dbraw/zinc/33/09/36/651330936.db2.gz RPKZEXNEEDYBTG-LBPRGKRZSA-N 0 1 294.351 2.066 20 5 CEBDMN COc1cc([N+](=O)[O-])ccc1CN1CC[C@H](CF)C1 ZINC000880298814 651419450 /nfs/dbraw/zinc/41/94/50/651419450.db2.gz KEDSQAPXOJQSEJ-SNVBAGLBSA-N 0 1 268.288 2.395 20 5 CEBDMN CCN1CC[C@@H]1CN[C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000883355926 652440144 /nfs/dbraw/zinc/44/01/44/652440144.db2.gz AHLAPMYZKABKFT-WDEREUQCSA-N 0 1 281.331 2.479 20 5 CEBDMN C[C@@H](COCc1ccccc1)COC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000884550546 652910878 /nfs/dbraw/zinc/91/08/78/652910878.db2.gz GFIGWLWUEQDRBO-IACUBPJLSA-N 0 1 293.319 2.048 20 5 CEBDMN CSCc1n[nH]c(CNc2ccc(F)cc2[N+](=O)[O-])n1 ZINC000884695112 652968017 /nfs/dbraw/zinc/96/80/17/652968017.db2.gz KFTRREPJWFMAIH-UHFFFAOYSA-N 0 1 297.315 2.327 20 5 CEBDMN CSCc1nnc(CNc2ccc(F)cc2[N+](=O)[O-])[nH]1 ZINC000884695112 652968018 /nfs/dbraw/zinc/96/80/18/652968018.db2.gz KFTRREPJWFMAIH-UHFFFAOYSA-N 0 1 297.315 2.327 20 5 CEBDMN CSCc1n[nH]c(CNc2c(F)cccc2[N+](=O)[O-])n1 ZINC000884695321 652968091 /nfs/dbraw/zinc/96/80/91/652968091.db2.gz SXJYYPOQHSYOSA-UHFFFAOYSA-N 0 1 297.315 2.327 20 5 CEBDMN CSCc1nnc(CNc2c(F)cccc2[N+](=O)[O-])[nH]1 ZINC000884695321 652968093 /nfs/dbraw/zinc/96/80/93/652968093.db2.gz SXJYYPOQHSYOSA-UHFFFAOYSA-N 0 1 297.315 2.327 20 5 CEBDMN Cc1cc(Cl)c([N+](=O)[O-])c(N2C[C@H](C)N(C)C[C@H]2C)n1 ZINC001164632259 719184750 /nfs/dbraw/zinc/18/47/50/719184750.db2.gz DRNXAZZYDHGPGT-VHSXEESVSA-N 0 1 298.774 2.480 20 5 CEBDMN CC(C)C1CCC(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001126997167 806926687 /nfs/dbraw/zinc/92/66/87/806926687.db2.gz OFPZLIMYXBQNCJ-FIYWTHMPSA-N 0 1 268.357 2.230 20 5 CEBDMN C[C@]1(CO)CCCN1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000723039901 802789388 /nfs/dbraw/zinc/78/93/88/802789388.db2.gz YFPSTXJXJGPLQS-CYBMUJFWSA-N 0 1 268.288 2.081 20 5 CEBDMN CO[C@@H]1CC[C@@H]1N(C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000724123316 803047427 /nfs/dbraw/zinc/04/74/27/803047427.db2.gz WONZJGQFKKNDCO-QWHCGFSZSA-N 0 1 268.288 2.343 20 5 CEBDMN CC[N@H+]1CC[C@H]1CNc1ncc(Cl)cc1[N+](=O)[O-] ZINC000712525088 814763201 /nfs/dbraw/zinc/76/32/01/814763201.db2.gz BHEAPCZWPPZPKK-VIFPVBQESA-N 0 1 270.720 2.149 20 5 CEBDMN CCN1CC[C@H]1CNc1ncc(Cl)cc1[N+](=O)[O-] ZINC000712525088 814763209 /nfs/dbraw/zinc/76/32/09/814763209.db2.gz BHEAPCZWPPZPKK-VIFPVBQESA-N 0 1 270.720 2.149 20 5 CEBDMN CCCNC(=O)[C@@H](C)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000036959537 814954347 /nfs/dbraw/zinc/95/43/47/814954347.db2.gz TXFXUMAHNOHRLH-GHMZBOCLSA-N 0 1 279.340 2.160 20 5 CEBDMN CC(C)c1ccc(C(=O)OCc2nnc[nH]2)cc1[N+](=O)[O-] ZINC001118397186 815010712 /nfs/dbraw/zinc/01/07/12/815010712.db2.gz KVBKZJPAUUXMGJ-UHFFFAOYSA-N 0 1 290.279 2.193 20 5 CEBDMN COC[C@@H](C)OC[C@@H](C)Oc1cc(O)ccc1[N+](=O)[O-] ZINC001225490356 804885553 /nfs/dbraw/zinc/88/55/53/804885553.db2.gz HQLIYFFFKQMMGG-NXEZZACHSA-N 0 1 285.296 2.119 20 5 CEBDMN CCCCN(CCO)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000048347038 805320682 /nfs/dbraw/zinc/32/06/82/805320682.db2.gz XLIVXMXTXSYREO-UHFFFAOYSA-N 0 1 270.304 2.328 20 5 CEBDMN C[C@@H]1CC[C@H](NC(=O)[C@@](C)(N)c2cccc([N+](=O)[O-])c2)C1 ZINC001119326593 815091700 /nfs/dbraw/zinc/09/17/00/815091700.db2.gz XNEVLKFLWKIBEO-GMXABZIVSA-N 0 1 291.351 2.074 20 5 CEBDMN C[C@H](NC[C@](C)(O)C(F)F)c1ccccc1[N+](=O)[O-] ZINC000698567952 807247314 /nfs/dbraw/zinc/24/73/14/807247314.db2.gz DKEGLAPJSYVXRA-UFBFGSQYSA-N 0 1 274.267 2.262 20 5 CEBDMN NCc1nccnc1N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001120913495 815295391 /nfs/dbraw/zinc/29/53/91/815295391.db2.gz QIOJRPOEWOFZTI-UHFFFAOYSA-N 0 1 299.334 2.013 20 5 CEBDMN O=C(Oc1cccc(-c2ccncc2)c1)[C@@H]1CC1[N+](=O)[O-] ZINC001129253590 809906222 /nfs/dbraw/zinc/90/62/22/809906222.db2.gz SHCWGAPWVDMNMH-ZIAGYGMSSA-N 0 1 284.271 2.319 20 5 CEBDMN Cc1ccc2c(c1)[C@H](N[C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C(=O)N2 ZINC001168964757 811317552 /nfs/dbraw/zinc/31/75/52/811317552.db2.gz VXOQNVFQRHTPLA-GYSYKLTISA-N 0 1 289.335 2.023 20 5 CEBDMN CC(C)(C)CC(=O)NCCNCc1ccccc1[N+](=O)[O-] ZINC001123616981 815537097 /nfs/dbraw/zinc/53/70/97/815537097.db2.gz BXEHMWGLAWVJPK-UHFFFAOYSA-N 0 1 293.367 2.237 20 5 CEBDMN CC[C@@](N)(CO)Nc1cc2cccnc2c2ncccc12 ZINC001170865090 813561435 /nfs/dbraw/zinc/56/14/35/813561435.db2.gz YMDZHSQWHLRUKZ-INIZCTEOSA-N 0 1 282.347 2.252 20 5 CEBDMN CCN1CC[C@H]1CNc1cccc(F)c1[N+](=O)[O-] ZINC000712613328 814757511 /nfs/dbraw/zinc/75/75/11/814757511.db2.gz GVNLKDGZUUKVAT-VIFPVBQESA-N 0 1 253.277 2.240 20 5 CEBDMN COc1cc([N+](=O)[O-])ccc1CN1CCC[C@](C)(CO)C1 ZINC001116899382 814891033 /nfs/dbraw/zinc/89/10/33/814891033.db2.gz NVULJQZNTXMZMM-HNNXBMFYSA-N 0 1 294.351 2.198 20 5 CEBDMN O=C(N[C@H]1CCCC12CC2)c1cc(O)cc([N+](=O)[O-])c1 ZINC000601703937 346882404 /nfs/dbraw/zinc/88/24/04/346882404.db2.gz HEERCHZSDILRFM-LBPRGKRZSA-N 0 1 276.292 2.363 20 5 CEBDMN CC(C)N1CCN(Cc2csc([N+](=O)[O-])c2)CC1 ZINC000054174431 343586090 /nfs/dbraw/zinc/58/60/90/343586090.db2.gz MWAYBNMRPJFVFT-UHFFFAOYSA-N 0 1 269.370 2.182 20 5 CEBDMN CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@@H]1CCCCN1C ZINC000602056842 346967191 /nfs/dbraw/zinc/96/71/91/346967191.db2.gz ZRRDFCMOQHGMEO-AWEZNQCLSA-N 0 1 291.351 2.038 20 5 CEBDMN C[C@@H]1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])[C@H](c2ccco2)C1 ZINC000075388243 343851054 /nfs/dbraw/zinc/85/10/54/343851054.db2.gz BPDONKTYHNKKMN-WYUUTHIRSA-N 0 1 278.308 2.244 20 5 CEBDMN CC1CCC(N(C)Cc2cn(C)nc2[N+](=O)[O-])CC1 ZINC000602431060 347030521 /nfs/dbraw/zinc/03/05/21/347030521.db2.gz HMYUBWVQNIVHDI-UHFFFAOYSA-N 0 1 266.345 2.339 20 5 CEBDMN CCCN(C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000049480634 362366433 /nfs/dbraw/zinc/36/64/33/362366433.db2.gz WTVGOXGJUQMOGM-SNVBAGLBSA-N 0 1 265.313 2.264 20 5 CEBDMN Cn1cc(CN2CCS[C@H]3CCCC[C@@H]32)c([N+](=O)[O-])n1 ZINC000602477036 347050970 /nfs/dbraw/zinc/05/09/70/347050970.db2.gz OVSPQQKOMYGBDV-RYUDHWBXSA-N 0 1 296.396 2.188 20 5 CEBDMN O=[N+]([O-])c1ccccc1-c1nc([C@@H]2CCCN2)no1 ZINC000228560312 344561049 /nfs/dbraw/zinc/56/10/49/344561049.db2.gz GSPUOCLQPPSHNR-VIFPVBQESA-N 0 1 260.253 2.069 20 5 CEBDMN Cc1c([C@H](C)NCc2cncn2C)cccc1[N+](=O)[O-] ZINC000289614797 344682278 /nfs/dbraw/zinc/68/22/78/344682278.db2.gz DGZVDBOVGRKQRT-NSHDSACASA-N 0 1 274.324 2.488 20 5 CEBDMN CO[C@@H](C)CCNCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602527767 347066915 /nfs/dbraw/zinc/06/69/15/347066915.db2.gz KXZIKJPRFRQROZ-VIFPVBQESA-N 0 1 279.296 2.251 20 5 CEBDMN CC[C@@H](COC)NCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602552868 347073849 /nfs/dbraw/zinc/07/38/49/347073849.db2.gz YOJCQCHAQGPWOM-VIFPVBQESA-N 0 1 279.296 2.251 20 5 CEBDMN C[C@@H](C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)C1CC1)C(=O)[O-] ZINC000584639146 344971651 /nfs/dbraw/zinc/97/16/51/344971651.db2.gz XVVQDPAVPQUBTC-NSHDSACASA-N 0 1 292.335 2.322 20 5 CEBDMN O=C([O-])C[C@H]1CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000054300332 362524569 /nfs/dbraw/zinc/52/45/69/362524569.db2.gz XCTFTNFYJDDPRE-LLVKDONJSA-N 0 1 278.308 2.282 20 5 CEBDMN O=[N+]([O-])c1cc2c(cc1CN[C@H]1CC13CC3)OCCO2 ZINC000591640365 345272102 /nfs/dbraw/zinc/27/21/02/345272102.db2.gz BVBXIPYFYJGVTK-ZDUSSCGKSA-N 0 1 276.292 2.008 20 5 CEBDMN C[C@@H]1CC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C[C@H]1C(=O)[O-] ZINC000592397732 345350108 /nfs/dbraw/zinc/35/01/08/345350108.db2.gz RYMDBEJHBYMMDG-NXEZZACHSA-N 0 1 296.298 2.277 20 5 CEBDMN C[C@H](CCO)N(C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000593108791 345441327 /nfs/dbraw/zinc/44/13/27/345441327.db2.gz CKUJCVVGLPASJU-SECBINFHSA-N 0 1 272.732 2.451 20 5 CEBDMN CC[C@@H](C(=O)[O-])[N@@H+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000593332398 345467816 /nfs/dbraw/zinc/46/78/16/345467816.db2.gz MHBLJMYWTTZIGX-WMADIVHISA-N 0 1 278.308 2.403 20 5 CEBDMN O=C([O-])[C@@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C[C@H]1C1CC1 ZINC000593753896 345533132 /nfs/dbraw/zinc/53/31/32/345533132.db2.gz BGBIPDVZMNCGKP-UONOGXRCSA-N 0 1 290.319 2.137 20 5 CEBDMN O=[N+]([O-])c1cc(F)ccc1CN1CC[C@@H]2OCC[C@@H]2C1 ZINC000595564475 345814238 /nfs/dbraw/zinc/81/42/38/345814238.db2.gz ZQVOJNHXFJLCLK-RISCZKNCSA-N 0 1 280.299 2.345 20 5 CEBDMN CC(C)(O)[C@H]1CCCN1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595388845 345772553 /nfs/dbraw/zinc/77/25/53/345772553.db2.gz XRVYLNJSQATBCZ-CYBMUJFWSA-N 0 1 282.315 2.469 20 5 CEBDMN C[C@H](O)C[C@@H]1CCCN1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595396416 345773939 /nfs/dbraw/zinc/77/39/39/345773939.db2.gz LOOJCSANNHDBGS-GWCFXTLKSA-N 0 1 282.315 2.469 20 5 CEBDMN Cc1noc(CN2CCC[C@]2(CO)CC(C)C)c1[N+](=O)[O-] ZINC000595458038 345788407 /nfs/dbraw/zinc/78/84/07/345788407.db2.gz PICUUCTZLOHVAV-CQSZACIVSA-N 0 1 297.355 2.264 20 5 CEBDMN Cc1noc(CN2CCCCC[C@H]2CCO)c1[N+](=O)[O-] ZINC000595474903 345791997 /nfs/dbraw/zinc/79/19/97/345791997.db2.gz HYPYXMGCTRFECY-NSHDSACASA-N 0 1 283.328 2.018 20 5 CEBDMN CC[N@H+]1CCCN(Cc2cc([O-])ccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000595535513 345805693 /nfs/dbraw/zinc/80/56/93/345805693.db2.gz GSHVEHJXLMGSFT-LBPRGKRZSA-N 0 1 293.367 2.217 20 5 CEBDMN C[C@]12COC[C@@H]1CN(Cc1ccc(F)cc1[N+](=O)[O-])C2 ZINC000595767768 345871973 /nfs/dbraw/zinc/87/19/73/345871973.db2.gz OJOWURIWQOJOMY-FZMZJTMJSA-N 0 1 280.299 2.202 20 5 CEBDMN CCn1nccc1CNCc1ccc([N+](=O)[O-])cc1C ZINC000596062366 345931015 /nfs/dbraw/zinc/93/10/15/345931015.db2.gz QARINKSHVOAFCJ-UHFFFAOYSA-N 0 1 274.324 2.409 20 5 CEBDMN CCCc1[nH]nc(C(=O)N2CC(CC3CC3)C2)c1[N+](=O)[O-] ZINC000598781339 346418830 /nfs/dbraw/zinc/41/88/30/346418830.db2.gz MSSJRJLKHWNELR-UHFFFAOYSA-N 0 1 292.339 2.143 20 5 CEBDMN O=[N+]([O-])c1cc(CN[C@@H]2CO[C@@H](C3CC3)C2)cs1 ZINC000599006289 346445408 /nfs/dbraw/zinc/44/54/08/346445408.db2.gz GJLWVLMTMPUWNI-WDEREUQCSA-N 0 1 268.338 2.313 20 5 CEBDMN Cc1cc([N+](=O)[O-])cc(Cl)c1NCCN1CC[C@@H](O)C1 ZINC000599175955 346473279 /nfs/dbraw/zinc/47/32/79/346473279.db2.gz KYFMMFHGXYAVPD-LLVKDONJSA-N 0 1 299.758 2.035 20 5 CEBDMN C[C@H]1C[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])CC[C@@H]1C(=O)[O-] ZINC000600706060 346674304 /nfs/dbraw/zinc/67/43/04/346674304.db2.gz ZFWZHXGMBGNGNP-UWVGGRQHSA-N 0 1 296.298 2.277 20 5 CEBDMN O=[N+]([O-])c1ccc([O-])cc1C[N@@H+]1CC[C@@H](O)C12CCCC2 ZINC000339245163 215038987 /nfs/dbraw/zinc/03/89/87/215038987.db2.gz FZWIDJNDCMWCQW-CQSZACIVSA-N 0 1 292.335 2.180 20 5 CEBDMN C[C@@H](NC(=O)CN(C)C1CCC1)c1ccccc1[N+](=O)[O-] ZINC000600819783 346696480 /nfs/dbraw/zinc/69/64/80/346696480.db2.gz YIQVACOYJMYFDD-LLVKDONJSA-N 0 1 291.351 2.256 20 5 CEBDMN C[C@@H]1C[C@H](Nc2ncc(F)cc2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000601127226 346761652 /nfs/dbraw/zinc/76/16/52/346761652.db2.gz CJXWFJDEZMKLPY-SCZZXKLOSA-N 0 1 280.303 2.166 20 5 CEBDMN Cc1cccc(NCCCCN2CCOCC2)c1[N+](=O)[O-] ZINC000275539783 232580400 /nfs/dbraw/zinc/58/04/00/232580400.db2.gz ZYBYSHDRXVEBTI-UHFFFAOYSA-N 0 1 293.367 2.428 20 5 CEBDMN Cc1[nH]ncc1CN(C)c1ccsc1[N+](=O)[O-] ZINC000601181887 346779096 /nfs/dbraw/zinc/77/90/96/346779096.db2.gz OUYAWKPJVLHPBN-UHFFFAOYSA-N 0 1 252.299 2.324 20 5 CEBDMN Cc1ccc(CN2CCC[C@](C)(O)C2)cc1[N+](=O)[O-] ZINC000129458349 365860700 /nfs/dbraw/zinc/86/07/00/365860700.db2.gz KYCOSMJJPNLPRQ-AWEZNQCLSA-N 0 1 264.325 2.250 20 5 CEBDMN C[C@@H]1C[C@H](NCCc2ccc([N+](=O)[O-])cc2)c2ncnn21 ZINC000602705484 347160306 /nfs/dbraw/zinc/16/03/06/347160306.db2.gz GNOSLCOMMGRHSY-MFKMUULPSA-N 0 1 287.323 2.024 20 5 CEBDMN CC[C@@H]1CCCCN1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602757666 347186949 /nfs/dbraw/zinc/18/69/49/347186949.db2.gz CTRRNXXFMHKEEQ-LLVKDONJSA-N 0 1 252.318 2.093 20 5 CEBDMN CC(C)[C@H]1CCN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000611430493 347778091 /nfs/dbraw/zinc/77/80/91/347778091.db2.gz UPYAJZQTBOWNQC-GFCCVEGCSA-N 0 1 288.307 2.342 20 5 CEBDMN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCc2cn[nH]c2C1 ZINC000611009458 347732135 /nfs/dbraw/zinc/73/21/35/347732135.db2.gz ZOCCXXDQYIQOEQ-JTQLQIEISA-N 0 1 272.308 2.437 20 5 CEBDMN CCN1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000611082475 347737212 /nfs/dbraw/zinc/73/72/12/347737212.db2.gz SNFLCTFXPQWEMW-LLVKDONJSA-N 0 1 292.339 2.153 20 5 CEBDMN Cc1ccc2c(c1)[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])CC2 ZINC000611204395 347751146 /nfs/dbraw/zinc/75/11/46/347751146.db2.gz VAUSWUIFLQOQKZ-LLVKDONJSA-N 0 1 286.291 2.044 20 5 CEBDMN CCN(CC(F)F)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000273386188 192135003 /nfs/dbraw/zinc/13/50/03/192135003.db2.gz CHGDFYJUUYPEJR-UHFFFAOYSA-N 0 1 274.223 2.028 20 5 CEBDMN Cc1cc([N+](=O)[O-])ccc1CN[C@H](C)c1cn[nH]c1 ZINC000273437208 192149703 /nfs/dbraw/zinc/14/97/03/192149703.db2.gz VTZORMMKIZCWKW-SNVBAGLBSA-N 0 1 260.297 2.477 20 5 CEBDMN C[C@H]1CN(Cc2cc(O)ccc2[N+](=O)[O-])C[C@@H](C2CC2)O1 ZINC000619431545 349179404 /nfs/dbraw/zinc/17/94/04/349179404.db2.gz TYSNLOCFWWAWQV-BONVTDFDSA-N 0 1 292.335 2.300 20 5 CEBDMN Cc1nc(C(=O)N=c2ccc3cc([N+](=O)[O-])ccc3[nH]2)co1 ZINC000619788472 349236944 /nfs/dbraw/zinc/23/69/44/349236944.db2.gz QJZAKVUTWCEEFZ-UHFFFAOYSA-N 0 1 298.258 2.114 20 5 CEBDMN CN(CCc1cnccn1)Cc1ccccc1[N+](=O)[O-] ZINC000271291520 191054344 /nfs/dbraw/zinc/05/43/44/191054344.db2.gz CJJKMUXSLLXDJY-UHFFFAOYSA-N 0 1 272.308 2.059 20 5 CEBDMN Cc1cc(CC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000123371892 187087783 /nfs/dbraw/zinc/08/77/83/187087783.db2.gz WQKLWFMCRKJBHP-SNVBAGLBSA-N 0 1 288.307 2.046 20 5 CEBDMN CCN(CC)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000072590274 363148061 /nfs/dbraw/zinc/14/80/61/363148061.db2.gz UVBHPECGCZCIMX-JTQLQIEISA-N 0 1 295.339 2.272 20 5 CEBDMN C[C@@H]1CCCN1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000072874679 363177104 /nfs/dbraw/zinc/17/71/04/363177104.db2.gz FLWCXIUBUXPZND-LLVKDONJSA-N 0 1 277.324 2.042 20 5 CEBDMN CCc1nc([C@@H](C)Nc2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000271653358 191260433 /nfs/dbraw/zinc/26/04/33/191260433.db2.gz SORNGVWZZKRIMK-MRVPVSSYSA-N 0 1 261.285 2.448 20 5 CEBDMN COc1ccc([N+](=O)[O-])cc1CN1CCC[C@H]1C[C@@H](C)O ZINC000152652841 188034953 /nfs/dbraw/zinc/03/49/53/188034953.db2.gz WRBLERNRVNJKRS-YPMHNXCESA-N 0 1 294.351 2.339 20 5 CEBDMN CC1(C)[C@H]2CC[C@]1(C)[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])C2 ZINC000153230796 188071988 /nfs/dbraw/zinc/07/19/88/188071988.db2.gz YFQSYNKIJGVADV-LLHLLMPMSA-N 0 1 292.339 2.263 20 5 CEBDMN Cc1nc(CN(Cc2cccc([N+](=O)[O-])c2)C2CC2)n[nH]1 ZINC000292378943 198266140 /nfs/dbraw/zinc/26/61/40/198266140.db2.gz HEZYPDCIMSEWDX-UHFFFAOYSA-N 0 1 287.323 2.186 20 5 CEBDMN O=[N+]([O-])c1cnn(CCN2CCC[C@H]2c2ccncc2)c1 ZINC000153820288 188105826 /nfs/dbraw/zinc/10/58/26/188105826.db2.gz UFMGZPLQLVMDOE-AWEZNQCLSA-N 0 1 287.323 2.023 20 5 CEBDMN Cc1cc(C[C@H](C)Nc2ccc([N+](=O)[O-])cn2)[nH]n1 ZINC000133501148 366231709 /nfs/dbraw/zinc/23/17/09/366231709.db2.gz ANPIVSUMGVXZLO-QMMMGPOBSA-N 0 1 261.285 2.064 20 5 CEBDMN CN(Cc1ccoc1)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356335303 370663661 /nfs/dbraw/zinc/66/36/61/370663661.db2.gz HWEBFLKDXCKXHZ-UHFFFAOYSA-N 0 1 276.248 2.166 20 5 CEBDMN COc1ccc([N+](=O)[O-])cc1CN(C)[C@H](CO)C(C)(C)C ZINC000134369482 366312022 /nfs/dbraw/zinc/31/20/22/366312022.db2.gz AMVHRDCDKVFPGB-CQSZACIVSA-N 0 1 296.367 2.442 20 5 CEBDMN C[C@@H]1C[C@H](O)CN(C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000414521323 236398398 /nfs/dbraw/zinc/39/83/98/236398398.db2.gz FJBBYWGDMWRTST-LJXYTEIVSA-N 0 1 276.336 2.311 20 5 CEBDMN CCC[C@H](C(=O)[O-])[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000579260182 366621156 /nfs/dbraw/zinc/62/11/56/366621156.db2.gz CKXAKTUCUVILGK-CYBMUJFWSA-N 0 1 280.324 2.322 20 5 CEBDMN C[C@@H]1CC[C@](CO)([N@@H+](C)Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000339100302 366653903 /nfs/dbraw/zinc/65/39/03/366653903.db2.gz KIEYBDWJPSZHPQ-ABAIWWIYSA-N 0 1 294.351 2.283 20 5 CEBDMN C[N@@H+](CC[C@@H]1CCCO1)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000339115999 366660113 /nfs/dbraw/zinc/66/01/13/366660113.db2.gz JTVZJYDJRKXAIK-ZDUSSCGKSA-N 0 1 280.324 2.301 20 5 CEBDMN CCO[C@@H]1COC[C@H]1N[C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000453365333 283538948 /nfs/dbraw/zinc/53/89/48/283538948.db2.gz RNXXVOMLYSBIBV-UXIGCNINSA-N 0 1 294.351 2.358 20 5 CEBDMN CC[C@@H](NC1CN(C(=O)OC)C1)c1cccc([N+](=O)[O-])c1 ZINC000181474599 189297941 /nfs/dbraw/zinc/29/79/41/189297941.db2.gz DGCMFUOEQRZTQH-CYBMUJFWSA-N 0 1 293.323 2.086 20 5 CEBDMN COc1ccc([N+](=O)[O-])cc1CN(CCCCO)C1CC1 ZINC000152553141 366703089 /nfs/dbraw/zinc/70/30/89/366703089.db2.gz LTUNFQLOOICNHT-UHFFFAOYSA-N 0 1 294.351 2.340 20 5 CEBDMN Cc1n[nH]cc1CN[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000581736323 366818930 /nfs/dbraw/zinc/81/89/30/366818930.db2.gz RVQBOSIKNPANGR-CYBMUJFWSA-N 0 1 272.308 2.403 20 5 CEBDMN Cc1csc(N(C)C(=O)c2cc(O)cc([N+](=O)[O-])c2)n1 ZINC000356585097 370764320 /nfs/dbraw/zinc/76/43/20/370764320.db2.gz XQMSACWBJWDJPC-UHFFFAOYSA-N 0 1 293.304 2.342 20 5 CEBDMN CCCc1[nH]nc(C(=O)N2CC[C@@H](CC)C2)c1[N+](=O)[O-] ZINC000120879641 365488654 /nfs/dbraw/zinc/48/86/54/365488654.db2.gz IMYLQUSARRRERA-SECBINFHSA-N 0 1 280.328 2.143 20 5 CEBDMN CCCc1[nH]nc(C(=O)N(CC)CC2CC2)c1[N+](=O)[O-] ZINC000159913961 366958228 /nfs/dbraw/zinc/95/82/28/366958228.db2.gz QIPJOVXSUDRJNA-UHFFFAOYSA-N 0 1 280.328 2.143 20 5 CEBDMN COc1cccc([N+](=O)[O-])c1NCc1n[nH]c(C2CC2)n1 ZINC000583332386 367035060 /nfs/dbraw/zinc/03/50/60/367035060.db2.gz FQULEXAYSFWPAE-UHFFFAOYSA-N 0 1 289.295 2.211 20 5 CEBDMN CCOC(=O)CCCN(C)Cc1ccccc1[N+](=O)[O-] ZINC000171031683 367464919 /nfs/dbraw/zinc/46/49/19/367464919.db2.gz DWDSAHHNERQJLC-UHFFFAOYSA-N 0 1 280.324 2.370 20 5 CEBDMN Cc1cccc2nc(CNc3c([N+](=O)[O-])ncn3C)[nH]c21 ZINC000345160318 368176115 /nfs/dbraw/zinc/17/61/15/368176115.db2.gz IBNAWIMGABFYTL-UHFFFAOYSA-N 0 1 286.295 2.125 20 5 CEBDMN CC(C)(C)[C@H](CO)NCc1c(F)cccc1[N+](=O)[O-] ZINC000345717820 368386304 /nfs/dbraw/zinc/38/63/04/368386304.db2.gz DOVNFQJOLFZDLK-LBPRGKRZSA-N 0 1 270.304 2.231 20 5 CEBDMN CN(Cc1c([N+](=O)[O-])ncn1C)C[C@H]1CC=CCC1 ZINC000330851340 203313023 /nfs/dbraw/zinc/31/30/23/203313023.db2.gz QCGXUCLYMFAHLY-NSHDSACASA-N 0 1 264.329 2.116 20 5 CEBDMN Cc1cc([N+](=O)[O-])ccc1CN1CCN(C)C[C@H]1C ZINC000350023576 369485644 /nfs/dbraw/zinc/48/56/44/369485644.db2.gz ZQKLTKIFOAKLPV-GFCCVEGCSA-N 0 1 263.341 2.039 20 5 CEBDMN C[C@H](NCC1(C)OCCCO1)c1cccc([N+](=O)[O-])c1 ZINC000190663117 369643101 /nfs/dbraw/zinc/64/31/01/369643101.db2.gz ULDCPGVYTAXPKF-NSHDSACASA-N 0 1 280.324 2.399 20 5 CEBDMN COc1cc(CN2CCC[C@@H](OC)C2)ccc1[N+](=O)[O-] ZINC000352404382 369714379 /nfs/dbraw/zinc/71/43/79/369714379.db2.gz GMGZCDVQGFKGOQ-GFCCVEGCSA-N 0 1 280.324 2.214 20 5 CEBDMN CCOc1ccc([N+](=O)[O-])cc1CNC[C@H](C)OC ZINC000191143017 369684091 /nfs/dbraw/zinc/68/40/91/369684091.db2.gz TZPNHGXNYLAOMX-JTQLQIEISA-N 0 1 268.313 2.118 20 5 CEBDMN C[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2Cl)C[C@H]1CO ZINC000191727854 369737481 /nfs/dbraw/zinc/73/74/81/369737481.db2.gz FINCGFZFOLSSKR-KOLCDFICSA-N 0 1 284.743 2.308 20 5 CEBDMN COc1cc(CN(C)[C@@H]2CCC[C@H]2O)c([N+](=O)[O-])cc1F ZINC000352669028 369826601 /nfs/dbraw/zinc/82/66/01/369826601.db2.gz WSVGVSAENISKCP-DGCLKSJQSA-N 0 1 298.314 2.088 20 5 CEBDMN CCN(C)C(=O)CN[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000193308250 369923139 /nfs/dbraw/zinc/92/31/39/369923139.db2.gz OVFSTVPARDNIEV-CQSZACIVSA-N 0 1 291.351 2.040 20 5 CEBDMN CSCCN1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000194692502 370066191 /nfs/dbraw/zinc/06/61/91/370066191.db2.gz MOTXCERVBJPXRR-UHFFFAOYSA-N 0 1 281.381 2.080 20 5 CEBDMN CC(C)(C)CCNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000354151756 370235958 /nfs/dbraw/zinc/23/59/58/370235958.db2.gz ZEBYLYCCGCPEPU-UHFFFAOYSA-N 0 1 266.297 2.466 20 5 CEBDMN Cc1[nH]nc(C(=O)N2CC[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000354660741 370456784 /nfs/dbraw/zinc/45/67/84/370456784.db2.gz UDAVWQIDNOVPNU-LLVKDONJSA-N 0 1 286.291 2.214 20 5 CEBDMN CC(C)[C@@H](CNc1ccc([N+](=O)[O-])cc1)N1CCOCC1 ZINC000248274488 371172732 /nfs/dbraw/zinc/17/27/32/371172732.db2.gz RJRPPOYIMZJQBA-OAHLLOKOSA-N 0 1 293.367 2.364 20 5 CEBDMN CCOC(=O)[C@H](C)[C@H](C)NCc1c(F)cccc1[N+](=O)[O-] ZINC000358836716 371241904 /nfs/dbraw/zinc/24/19/04/371241904.db2.gz ZGMNSQCXAMHMPS-ZJUUUORDSA-N 0 1 298.314 2.411 20 5 CEBDMN C[C@@H]1C[C@H](CO)CCN1Cc1ccccc1[N+](=O)[O-] ZINC000344116052 217056752 /nfs/dbraw/zinc/05/67/52/217056752.db2.gz AUORZXBMOURGBW-VXGBXAGGSA-N 0 1 264.325 2.188 20 5 CEBDMN CCN(Cc1ccc([N+](=O)[O-])cc1OC)C[C@H](C)OC ZINC000361566890 371929681 /nfs/dbraw/zinc/92/96/81/371929681.db2.gz USVMAJJNFFXMCQ-NSHDSACASA-N 0 1 282.340 2.460 20 5 CEBDMN C[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1CO ZINC000361652211 372003688 /nfs/dbraw/zinc/00/36/88/372003688.db2.gz FLAWMQLXUXXJQD-ONGXEEELSA-N 0 1 284.743 2.308 20 5 CEBDMN C[C@H]1CCC[C@@H]1NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000269286814 372408359 /nfs/dbraw/zinc/40/83/59/372408359.db2.gz NVSFAHDSRAOTJJ-UFBFGSQYSA-N 0 1 264.281 2.219 20 5 CEBDMN COC(=O)[C@H]1CCN([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000266504171 284369688 /nfs/dbraw/zinc/36/96/88/284369688.db2.gz BGEIIVVTIJYKBB-QWRGUYRKSA-N 0 1 278.308 2.151 20 5 CEBDMN CCOc1ccc([N+](=O)[O-])cc1CN1C[C@@H](O)[C@@H](CC)C1 ZINC000270996142 373055215 /nfs/dbraw/zinc/05/52/15/373055215.db2.gz YMQHOSVVDQBSPE-SMDDNHRTSA-N 0 1 294.351 2.196 20 5 CEBDMN Cc1ccc(CN2CCN(C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000353586459 220173187 /nfs/dbraw/zinc/17/31/87/220173187.db2.gz AWBZUSCSGJDGSF-LBPRGKRZSA-N 0 1 263.341 2.039 20 5 CEBDMN CC[C@H]1CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CCS1 ZINC000272587773 373564557 /nfs/dbraw/zinc/56/45/57/373564557.db2.gz VGDWNLWRQCZZIL-LBPRGKRZSA-N 0 1 296.348 2.268 20 5 CEBDMN O=C([O-])[C@]12CCC[C@H]1C[N@@H+](Cc1ccccc1[N+](=O)[O-])C2 ZINC000281121688 220233907 /nfs/dbraw/zinc/23/39/07/220233907.db2.gz XXWYUONJBJHHCO-WFASDCNBSA-N 0 1 290.319 2.282 20 5 CEBDMN CCOc1cc(CN2C[C@H](O)[C@@H](CC)C2)ccc1[N+](=O)[O-] ZINC000276854728 374325329 /nfs/dbraw/zinc/32/53/29/374325329.db2.gz FGJVAUDXQXBKCV-JSGCOSHPSA-N 0 1 294.351 2.196 20 5 CEBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCSC[C@@H]1c1cccs1 ZINC000374122766 374492994 /nfs/dbraw/zinc/49/29/94/374492994.db2.gz QXYPAJLMLBVKMM-OPRDCNLKSA-N 0 1 298.389 2.030 20 5 CEBDMN O=[N+]([O-])c1ccc(N[C@@H]2CCc3[nH]cnc3C2)c(F)c1 ZINC000378206440 375042427 /nfs/dbraw/zinc/04/24/27/375042427.db2.gz ZYEKTYDAVSTCLD-MRVPVSSYSA-N 0 1 276.271 2.426 20 5 CEBDMN C[C@H]1[C@H](C)N(C(=O)Nc2cccc([N+](=O)[O-])c2)CCN1C ZINC000408084668 375404322 /nfs/dbraw/zinc/40/43/22/375404322.db2.gz SDYPZZCJACRNAD-QWRGUYRKSA-N 0 1 292.339 2.151 20 5 CEBDMN C[C@@H]1[C@@H](C)N(C(=O)Nc2cccc([N+](=O)[O-])c2)CCN1C ZINC000408084666 375404960 /nfs/dbraw/zinc/40/49/60/375404960.db2.gz SDYPZZCJACRNAD-GHMZBOCLSA-N 0 1 292.339 2.151 20 5 CEBDMN COC[C@H](NCc1ccc([N+](=O)[O-])c(F)c1)[C@@H]1CCCO1 ZINC000282609061 375529286 /nfs/dbraw/zinc/52/92/86/375529286.db2.gz YQODGMBOQIEKIA-JSGCOSHPSA-N 0 1 298.314 2.018 20 5 CEBDMN CCCc1[nH]nc(C(=O)N2C[C@H](C)[C@@H](C)[C@@H]2C)c1[N+](=O)[O-] ZINC000416323526 376040124 /nfs/dbraw/zinc/04/01/24/376040124.db2.gz VCLXKAXXSALAMR-AEJSXWLSSA-N 0 1 294.355 2.387 20 5 CEBDMN CC(C)(O)[C@@H]1CCCN1Cc1ccc([N+](=O)[O-])cc1F ZINC000305753263 376473560 /nfs/dbraw/zinc/47/35/60/376473560.db2.gz ULRZNTDXXLTESV-ZDUSSCGKSA-N 0 1 282.315 2.469 20 5 CEBDMN CC[C@@H]1CN(C)CC[N@H+]1Cc1ccc([N+](=O)[O-])cc1C ZINC000556953458 376524560 /nfs/dbraw/zinc/52/45/60/376524560.db2.gz BKQABLYYDRUXAT-CQSZACIVSA-N 0 1 277.368 2.429 20 5 CEBDMN COC(C)(C)C[N@@H+](C)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000557004001 376529167 /nfs/dbraw/zinc/52/91/67/376529167.db2.gz CTXRYPKPLVVNOV-UHFFFAOYSA-N 0 1 268.313 2.157 20 5 CEBDMN O=[N+]([O-])c1ccc([O-])cc1C[N@@H+]1CCCC[C@H]1CCO ZINC000330579271 377191616 /nfs/dbraw/zinc/19/16/16/377191616.db2.gz OSIZNVAZNRKQEO-LBPRGKRZSA-N 0 1 280.324 2.037 20 5 CEBDMN C[C@H](O)C[C@H]1CCCC[N@H+]1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000330458863 377143457 /nfs/dbraw/zinc/14/34/57/377143457.db2.gz PPONLJADWWJCJV-WCQYABFASA-N 0 1 294.351 2.426 20 5 CEBDMN Cc1[nH]nc(C(=O)N2CC(C)(C)[C@H]2C(C)C)c1[N+](=O)[O-] ZINC000293819102 377772920 /nfs/dbraw/zinc/77/29/20/377772920.db2.gz HKVHNIAPFZMYFE-LLVKDONJSA-N 0 1 280.328 2.133 20 5 CEBDMN CC(C)(C(=O)NOCC1CC1)c1ccc([N+](=O)[O-])cc1F ZINC000293822308 377775273 /nfs/dbraw/zinc/77/52/73/377775273.db2.gz RPDCCULNIZBMPE-UHFFFAOYSA-N 0 1 296.298 2.469 20 5 CEBDMN CC(C)N(CCOc1cccc([N+](=O)[O-])c1)C1COC1 ZINC000295455704 378165471 /nfs/dbraw/zinc/16/54/71/378165471.db2.gz PTSGTJRVFZGEIN-UHFFFAOYSA-N 0 1 280.324 2.083 20 5 CEBDMN Cc1[nH]nc(C(=O)N2CCC(C(C)C)CC2)c1[N+](=O)[O-] ZINC000266199980 190239740 /nfs/dbraw/zinc/23/97/40/190239740.db2.gz HFBSEXSCOFLEOZ-UHFFFAOYSA-N 0 1 280.328 2.135 20 5 CEBDMN C[C@@H](C1CC1)n1cc(Nc2ncc([N+](=O)[O-])cn2)cn1 ZINC000302429666 379372711 /nfs/dbraw/zinc/37/27/11/379372711.db2.gz OJWHPSVWVCJMGY-QMMMGPOBSA-N 0 1 274.284 2.296 20 5 CEBDMN CC[C@H]1CN(C)CCN1c1nc(C)cc(C)c1[N+](=O)[O-] ZINC000520615835 379495090 /nfs/dbraw/zinc/49/50/90/379495090.db2.gz ALTKAHCIHQWTMC-LBPRGKRZSA-N 0 1 278.356 2.137 20 5 CEBDMN C[C@@H]1CCCC[C@]1(C)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000457235057 379722150 /nfs/dbraw/zinc/72/21/50/379722150.db2.gz BCSCUHMSRACWHR-PELKAZGASA-N 0 1 266.301 2.017 20 5 CEBDMN CC(C)(CNC(=O)c1n[nH]cc1[N+](=O)[O-])C1=CCCC1 ZINC000457177404 379702517 /nfs/dbraw/zinc/70/25/17/379702517.db2.gz IBXRWQXNLDUOBQ-UHFFFAOYSA-N 0 1 278.312 2.184 20 5 CEBDMN C[C@H]1CN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000267743676 190351723 /nfs/dbraw/zinc/35/17/23/190351723.db2.gz COVMVLAAMIXJHB-TXEJJXNPSA-N 0 1 291.351 2.145 20 5 CEBDMN Cn1cc(C(C)(C)NCc2cccc([N+](=O)[O-])c2)cn1 ZINC000546703473 380412860 /nfs/dbraw/zinc/41/28/60/380412860.db2.gz UESFDWBXVBXKEP-UHFFFAOYSA-N 0 1 274.324 2.353 20 5 CEBDMN O=[N+]([O-])c1ccc(N2CCN([C@H]3CCSC3)CC2)cc1 ZINC000373039980 285125553 /nfs/dbraw/zinc/12/55/53/285125553.db2.gz OKADWOLJYOSPFG-AWEZNQCLSA-N 0 1 293.392 2.222 20 5 CEBDMN O=[N+]([O-])c1cnc(N2CC[C@H](N3CCCCC3)C2)s1 ZINC000281933168 285177003 /nfs/dbraw/zinc/17/70/03/285177003.db2.gz OXUAEBKRQGSKIQ-JTQLQIEISA-N 0 1 282.369 2.116 20 5 CEBDMN COC(=O)CCC(C)(C)NCc1csc([N+](=O)[O-])c1 ZINC000357760380 533343209 /nfs/dbraw/zinc/34/32/09/533343209.db2.gz WRLNYRMUDSQVRM-UHFFFAOYSA-N 0 1 286.353 2.478 20 5 CEBDMN CCCc1[nH+]ccn1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000412995814 394454860 /nfs/dbraw/zinc/45/48/60/394454860.db2.gz DKGYEAMEAZMDPZ-UHFFFAOYSA-N 0 1 261.281 2.498 20 5 CEBDMN C[C@@H](O)[C@H](C)SCc1cc(O)ccc1[N+](=O)[O-] ZINC000413003497 394457721 /nfs/dbraw/zinc/45/77/21/394457721.db2.gz XDVUDGAFKYABIH-SFYZADRCSA-N 0 1 257.311 2.303 20 5 CEBDMN C[C@@H](O)C[C@H]1CCCN1Cc1c(F)cccc1[N+](=O)[O-] ZINC000305228660 394503285 /nfs/dbraw/zinc/50/32/85/394503285.db2.gz QFDAKJGXFWBRSI-GHMZBOCLSA-N 0 1 282.315 2.469 20 5 CEBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CC[C@H](C2CC2)C1 ZINC000356723994 394594519 /nfs/dbraw/zinc/59/45/19/394594519.db2.gz FYAAAVMRBPDDAV-JTQLQIEISA-N 0 1 276.292 2.173 20 5 CEBDMN Cc1nc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)cs1 ZINC000356736059 394597923 /nfs/dbraw/zinc/59/79/23/394597923.db2.gz XNHDHFRICYZJHD-UHFFFAOYSA-N 0 1 279.277 2.318 20 5 CEBDMN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1C[C@H](C)N[C@@H](C)C1 ZINC000422817407 394808241 /nfs/dbraw/zinc/80/82/41/394808241.db2.gz HOIINXGBHMHSAU-RYUDHWBXSA-N 0 1 291.351 2.034 20 5 CEBDMN C[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])c1ccccc1Cl ZINC000158810575 395054378 /nfs/dbraw/zinc/05/43/78/395054378.db2.gz IWMGVWTUDIHOPS-ZETCQYMHSA-N 0 1 294.698 2.462 20 5 CEBDMN C[C@@H]1CN(Cc2c(F)cccc2[N+](=O)[O-])[C@@H](C)CN1C ZINC000351929092 395240922 /nfs/dbraw/zinc/24/09/22/395240922.db2.gz XEQNQIWSLNUGHY-MNOVXSKESA-N 0 1 281.331 2.258 20 5 CEBDMN Cc1nnc(NC(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)[nH]1 ZINC000179541037 395194669 /nfs/dbraw/zinc/19/46/69/395194669.db2.gz QQTDIECNFGABEU-UHFFFAOYSA-N 0 1 289.295 2.199 20 5 CEBDMN Cc1n[nH]c(NC(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)n1 ZINC000179541037 395194672 /nfs/dbraw/zinc/19/46/72/395194672.db2.gz QQTDIECNFGABEU-UHFFFAOYSA-N 0 1 289.295 2.199 20 5 CEBDMN CCO[C@H]1C[C@H]1NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000522058864 395258449 /nfs/dbraw/zinc/25/84/49/395258449.db2.gz KWPRTJKHNJBRJG-YPMHNXCESA-N 0 1 250.298 2.170 20 5 CEBDMN CCn1nc(C)c([N+](=O)[O-])c1N[C@H](C)Cc1cc(C)n[nH]1 ZINC000192698135 395390242 /nfs/dbraw/zinc/39/02/42/395390242.db2.gz VMBRCRHAAKFMFT-MRVPVSSYSA-N 0 1 292.343 2.194 20 5 CEBDMN CN(C[C@@H]1CCCN1C)c1ncc([N+](=O)[O-])cc1Cl ZINC000420628125 395391775 /nfs/dbraw/zinc/39/17/75/395391775.db2.gz APDLLNQKOBLWJG-VIFPVBQESA-N 0 1 284.747 2.174 20 5 CEBDMN CCc1[nH]nc(C(=O)N(C)[C@H](C)C2CCC2)c1[N+](=O)[O-] ZINC000444340000 395429206 /nfs/dbraw/zinc/42/92/06/395429206.db2.gz IGSJOZFUOSFCSX-MRVPVSSYSA-N 0 1 280.328 2.141 20 5 CEBDMN C[C@H]1CC[C@H](NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000444480191 395433754 /nfs/dbraw/zinc/43/37/54/395433754.db2.gz JWZOEQWVCLPCPX-IUCAKERBSA-N 0 1 288.307 2.390 20 5 CEBDMN CC(=O)NCCN(C)[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000573365472 395606847 /nfs/dbraw/zinc/60/68/47/395606847.db2.gz YBIJWCQYNMLIHP-NSHDSACASA-N 0 1 279.340 2.032 20 5 CEBDMN CN(C(=O)CN(C)C(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000573962469 395622942 /nfs/dbraw/zinc/62/29/42/395622942.db2.gz GLTADKJLACTOHN-UHFFFAOYSA-N 0 1 279.340 2.288 20 5 CEBDMN C[C@H]1OCC[C@@]1(C)NCc1csc([N+](=O)[O-])c1 ZINC000230155396 153386683 /nfs/dbraw/zinc/38/66/83/153386683.db2.gz HGVRSEHTKOCQJY-LDYMZIIASA-N 0 1 256.327 2.313 20 5 CEBDMN O=C(Nc1nncs1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000006329458 170191952 /nfs/dbraw/zinc/19/19/52/170191952.db2.gz LAXYEAKQTCCMMH-UHFFFAOYSA-N 0 1 284.684 2.352 20 5 CEBDMN CCOCCN(CC)Cc1ccccc1[N+](=O)[O-] ZINC000046037252 175390154 /nfs/dbraw/zinc/39/01/54/175390154.db2.gz MAYSYELUPIKLKH-UHFFFAOYSA-N 0 1 252.314 2.453 20 5 CEBDMN CCOc1ccc([N+](=O)[O-])cc1CN1CC[C@@H](CO)[C@@H]1C ZINC000488785970 262394291 /nfs/dbraw/zinc/39/42/91/262394291.db2.gz PMQNPVKCQGUEOZ-RYUDHWBXSA-N 0 1 294.351 2.196 20 5 CEBDMN CCOc1cc(NCc2n[nH]c(CC)n2)ccc1[N+](=O)[O-] ZINC000392622738 270340348 /nfs/dbraw/zinc/34/03/48/270340348.db2.gz QBPGBMOWWUNALU-UHFFFAOYSA-N 0 1 291.311 2.286 20 5 CEBDMN CCCCN(CCO)Cc1ccc([N+](=O)[O-])cc1OC ZINC000430226578 271364611 /nfs/dbraw/zinc/36/46/11/271364611.db2.gz NGZVDGUOZZLLHA-UHFFFAOYSA-N 0 1 282.340 2.198 20 5 CEBDMN CC(C)c1[nH]nc(C(=O)N2CC[C@@](C)(F)C2)c1[N+](=O)[O-] ZINC000347324692 278000818 /nfs/dbraw/zinc/00/08/18/278000818.db2.gz RCFGKBGSKKZHLP-GFCCVEGCSA-N 0 1 284.291 2.015 20 5 CEBDMN CC(C)c1ccc(CN[C@H]2CCCNC2=O)cc1[N+](=O)[O-] ZINC000337702080 278037763 /nfs/dbraw/zinc/03/77/63/278037763.db2.gz GBCFIWBGUICHSN-ZDUSSCGKSA-N 0 1 291.351 2.086 20 5 CEBDMN C[C@@H](N[C@@H](C)C(=O)N1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000056197199 278361477 /nfs/dbraw/zinc/36/14/77/278361477.db2.gz VDPBKCSTQLPPNL-NEPJUHHUSA-N 0 1 291.351 2.256 20 5 CEBDMN CC(C)(NC(=O)c1n[nH]cc1[N+](=O)[O-])c1cccc(F)c1 ZINC000137163445 280066648 /nfs/dbraw/zinc/06/66/48/280066648.db2.gz OIQDOSFZYGMZAY-UHFFFAOYSA-N 0 1 292.270 2.122 20 5 CEBDMN C[C@H]1C[C@@H](Nc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC[N@H+]1C ZINC000211473259 280206965 /nfs/dbraw/zinc/20/69/65/280206965.db2.gz PACMWJBZUYSBLS-ONGXEEELSA-N 0 1 293.323 2.188 20 5 CEBDMN CC[C@@H](C)[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)CC(=O)[O-] ZINC000236866345 280223315 /nfs/dbraw/zinc/22/33/15/280223315.db2.gz JXTRRGGJXGUJKC-LLVKDONJSA-N 0 1 296.323 2.159 20 5 CEBDMN O=C(CN1CC[C@@H]2CCC[C@H]21)Nc1ccccc1[N+](=O)[O-] ZINC000426463899 281194325 /nfs/dbraw/zinc/19/43/25/281194325.db2.gz VIZZXLHCRBTADT-WCQYABFASA-N 0 1 289.335 2.408 20 5 CEBDMN CC[C@H]1CC[C@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC000479419900 290307430 /nfs/dbraw/zinc/30/74/30/290307430.db2.gz HLJIXGQJLPDQQN-KYZUINATSA-N 0 1 266.301 2.017 20 5 CEBDMN CCC[C@H]1CCCC[C@@H]1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000535008644 298179611 /nfs/dbraw/zinc/17/96/11/298179611.db2.gz OYNRENPXTAIFGR-UWVGGRQHSA-N 0 1 280.328 2.407 20 5 CEBDMN CCC[C@@H]1CCCC[C@H]1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000535008643 298179655 /nfs/dbraw/zinc/17/96/55/298179655.db2.gz OYNRENPXTAIFGR-NXEZZACHSA-N 0 1 280.328 2.407 20 5 CEBDMN CCN1C[C@@H](N[C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1=O ZINC000562789483 298711348 /nfs/dbraw/zinc/71/13/48/298711348.db2.gz CWMUURJYPYLDSB-NEPJUHHUSA-N 0 1 291.351 2.175 20 5 CEBDMN O=C(N[C@H]1CCC[C@@H](F)C1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000580567550 322327286 /nfs/dbraw/zinc/32/72/86/322327286.db2.gz CWOIPJLKQFPEDE-ZJUUUORDSA-N 0 1 282.271 2.311 20 5 CEBDMN C[C@H]1CC[C@H](C(=O)[O-])C[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000397007387 329319608 /nfs/dbraw/zinc/31/96/08/329319608.db2.gz LSJOUKBYOZJZIT-AAEUAGOBSA-N 0 1 292.335 2.322 20 5 CEBDMN C[C@@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC[C@H]1c1ccccc1 ZINC000364837241 524843172 /nfs/dbraw/zinc/84/31/72/524843172.db2.gz JKBSCNLAILAWMG-NMFUWQPSSA-N 0 1 288.347 2.304 20 5 CEBDMN O=C([O-])C[C@H]1CCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000054298633 527635007 /nfs/dbraw/zinc/63/50/07/527635007.db2.gz GODHUEYMPKHBBM-CYBMUJFWSA-N 0 1 292.335 2.324 20 5 CEBDMN CCc1cc(CNC(=O)c2cccc(C)c2[N+](=O)[O-])n[nH]1 ZINC000732790329 574630126 /nfs/dbraw/zinc/63/01/26/574630126.db2.gz ITOGDNXUXWRMMM-UHFFFAOYSA-N 0 1 288.307 2.119 20 5 CEBDMN C[C@@H]1C[C@H](C(=O)[O-])CC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000235361443 625342360 /nfs/dbraw/zinc/34/23/60/625342360.db2.gz FEDNCALXQIJHPO-ZYHUDNBSSA-N 0 1 278.308 2.280 20 5 CEBDMN CC[C@H]1c2ccccc2CN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000890614655 622698596 /nfs/dbraw/zinc/69/85/96/622698596.db2.gz RNPLNPNOWYRIEL-FRRDWIJNSA-N 0 1 260.293 2.145 20 5 CEBDMN CO[C@@H]1CC[C@H]1N(C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000934122424 624244343 /nfs/dbraw/zinc/24/43/43/624244343.db2.gz TVVBAFIHCQKRBA-DGCLKSJQSA-N 0 1 291.307 2.345 20 5 CEBDMN Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+](C)[C@H](C)C(=O)[O-] ZINC000901979921 634402841 /nfs/dbraw/zinc/40/28/41/634402841.db2.gz FOIRFPNDUYQIEQ-SNVBAGLBSA-N 0 1 266.297 2.117 20 5 CEBDMN O=C(O[C@@H]1c2ccccc2CC[C@H]1F)[C@@H]1CC1[N+](=O)[O-] ZINC000893726281 628991837 /nfs/dbraw/zinc/99/18/37/628991837.db2.gz WDCKJKXFNTUJLH-FDYHWXHSSA-N 0 1 279.267 2.220 20 5 CEBDMN O=C(O[C@H]1c2ccccc2CC[C@@H]1F)[C@@H]1CC1[N+](=O)[O-] ZINC000893726283 628992078 /nfs/dbraw/zinc/99/20/78/628992078.db2.gz WDCKJKXFNTUJLH-XQHKEYJVSA-N 0 1 279.267 2.220 20 5 CEBDMN O=C(O[C@@H](C1CCCC1)C(F)(F)F)[C@@H]1CC1[N+](=O)[O-] ZINC000841143549 629216313 /nfs/dbraw/zinc/21/63/13/629216313.db2.gz MVNYNYYVNPROAW-HLTSFMKQSA-N 0 1 281.230 2.316 20 5 CEBDMN O=[N+]([O-])CCN1CCC(Cc2cccc(F)c2)CC1 ZINC000791052763 629241284 /nfs/dbraw/zinc/24/12/84/629241284.db2.gz BYEIMCQECLXHTN-UHFFFAOYSA-N 0 1 266.316 2.357 20 5 CEBDMN COc1ccc(Cl)c(COC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC000840673677 629362571 /nfs/dbraw/zinc/36/25/71/629362571.db2.gz YEELUOGZLQDHNC-MWLCHTKSSA-N 0 1 285.683 2.057 20 5 CEBDMN Cc1nc([C@H](C)NCc2cccc([N+](=O)[O-])c2C)n[nH]1 ZINC000894779162 629634442 /nfs/dbraw/zinc/63/44/42/629634442.db2.gz VTJWLBNAXJTFKE-VIFPVBQESA-N 0 1 275.312 2.181 20 5 CEBDMN CCCN1CCN(c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000048802066 629636290 /nfs/dbraw/zinc/63/62/90/629636290.db2.gz OTAZAFIGBVOMRM-UHFFFAOYSA-N 0 1 267.304 2.266 20 5 CEBDMN CO[C@H]1CC[C@H]1[N@@H+](C)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000902636061 634755867 /nfs/dbraw/zinc/75/58/67/634755867.db2.gz DURHMDMTXATTPE-OCCSQVGLSA-N 0 1 290.323 2.011 20 5 CEBDMN CO[C@H]1CC[C@H]1N(C)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000902636061 634755871 /nfs/dbraw/zinc/75/58/71/634755871.db2.gz DURHMDMTXATTPE-OCCSQVGLSA-N 0 1 290.323 2.011 20 5 CEBDMN Cc1cc(N[C@H](C)[C@H]2CN(C)CCN2C)c([N+](=O)[O-])s1 ZINC000895247120 630060148 /nfs/dbraw/zinc/06/01/48/630060148.db2.gz SXTNWBLUOXWZPY-ZYHUDNBSSA-N 0 1 298.412 2.011 20 5 CEBDMN CC1=NO[C@@H](CNCc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000895301624 630090852 /nfs/dbraw/zinc/09/08/52/630090852.db2.gz JJSNMPLKXOCWNX-GFCCVEGCSA-N 0 1 277.324 2.466 20 5 CEBDMN CC1=NO[C@@H](CNCc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000895309977 630099093 /nfs/dbraw/zinc/09/90/93/630099093.db2.gz DNSZLVPFBKMLJL-GFCCVEGCSA-N 0 1 263.297 2.158 20 5 CEBDMN O=[N+]([O-])c1ccc(O)cc1CN1CC[C@H]1C(F)F ZINC000895431043 630181321 /nfs/dbraw/zinc/18/13/21/630181321.db2.gz JXJTTZFTWNICJV-JTQLQIEISA-N 0 1 258.224 2.140 20 5 CEBDMN C[C@@]1(O)C[C@H](NCc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000841892272 630298314 /nfs/dbraw/zinc/29/83/14/630298314.db2.gz WCHBJKNNWSLILX-KLPPZKSPSA-N 0 1 270.716 2.251 20 5 CEBDMN Cc1cc(N[C@@H]2CCN(C)[C@@H]2C)c([N+](=O)[O-])s1 ZINC000895736481 630326522 /nfs/dbraw/zinc/32/65/22/630326522.db2.gz JDEUGPLNJCCHGL-RKDXNWHRSA-N 0 1 255.343 2.469 20 5 CEBDMN Cc1cc(N[C@@H]2CC[N@@H+](C)[C@@H]2C)c([N+](=O)[O-])s1 ZINC000895736481 630326519 /nfs/dbraw/zinc/32/65/19/630326519.db2.gz JDEUGPLNJCCHGL-RKDXNWHRSA-N 0 1 255.343 2.469 20 5 CEBDMN CC(C)C[C@@H]1CN(C)CCN1c1ncccc1[N+](=O)[O-] ZINC000896651798 630625581 /nfs/dbraw/zinc/62/55/81/630625581.db2.gz YTTBTKIGQOINEA-GFCCVEGCSA-N 0 1 278.356 2.156 20 5 CEBDMN Cc1cc(N[C@H]2C[C@H](CO)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000896691499 630639826 /nfs/dbraw/zinc/63/98/26/630639826.db2.gz XXGOLRYQVVRTFO-XYPYZODXSA-N 0 1 287.319 2.056 20 5 CEBDMN COc1cc(CON=C(N)C(C)C)ccc1[N+](=O)[O-] ZINC000809998138 632166958 /nfs/dbraw/zinc/16/69/58/632166958.db2.gz NNUNWTGOMFSMGQ-UHFFFAOYSA-N 0 1 267.285 2.258 20 5 CEBDMN O=C(O[C@H]1CCCC[C@@H]1F)c1ccc([N+](=O)[O-])[nH]1 ZINC000811053342 632332815 /nfs/dbraw/zinc/33/28/15/632332815.db2.gz CACXWDZIUGFCIR-CBAPKCEASA-N 0 1 256.233 2.360 20 5 CEBDMN C[C@@H](c1ccc(F)cc1)N(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840250314 632517529 /nfs/dbraw/zinc/51/75/29/632517529.db2.gz ZVVBCEBKIGYOTP-XXILOJSOSA-N 0 1 266.272 2.010 20 5 CEBDMN CC(C)[C@H]1CC[C@@H](C)C[C@H]1NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840271565 632602218 /nfs/dbraw/zinc/60/22/18/632602218.db2.gz ZJAUQENUZRCBHY-SYLRKERUSA-N 0 1 268.357 2.229 20 5 CEBDMN COc1cc([C@H](C)NCc2cncn2C)cc([N+](=O)[O-])c1 ZINC000903170789 635004474 /nfs/dbraw/zinc/00/44/74/635004474.db2.gz CDFPVLZLAFUGHC-JTQLQIEISA-N 0 1 290.323 2.188 20 5 CEBDMN O=[N+]([O-])CCN[C@H]1C[C@@H]1c1ccccc1C(F)(F)F ZINC000905083305 635798462 /nfs/dbraw/zinc/79/84/62/635798462.db2.gz VRIARIDGPGABBV-KOLCDFICSA-N 0 1 274.242 2.428 20 5 CEBDMN C[C@H](O)C1(NCc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000827579762 636358677 /nfs/dbraw/zinc/35/86/77/636358677.db2.gz JUJRCISRABPGEX-QMMMGPOBSA-N 0 1 270.716 2.251 20 5 CEBDMN CN1CC[C@@H]2CN(c3c(F)cc([N+](=O)[O-])cc3F)C[C@@H]21 ZINC000828988588 636746908 /nfs/dbraw/zinc/74/69/08/636746908.db2.gz ZKKCPLVFBBTRQV-PELKAZGASA-N 0 1 283.278 2.013 20 5 CEBDMN O=[N+]([O-])c1c(F)cccc1NCCN1C[C@H]2CC[C@@H](C1)O2 ZINC000829010133 636752123 /nfs/dbraw/zinc/75/21/23/636752123.db2.gz HEASXQWTHYEZAC-PHIMTYICSA-N 0 1 295.314 2.009 20 5 CEBDMN C[C@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])c1nc2ccccc2o1 ZINC000840673183 639521415 /nfs/dbraw/zinc/52/14/15/639521415.db2.gz JEZPFIIWCFDFOX-QXFUBDJGSA-N 0 1 276.248 2.097 20 5 CEBDMN CC[C@H]1CCCC[C@H]1OCCOC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000842340884 639655275 /nfs/dbraw/zinc/65/52/75/639655275.db2.gz UBKHYCGHFUCOBF-UMSGYPCISA-N 0 1 285.340 2.180 20 5 CEBDMN Cc1c(CN[C@@H](C)C(=O)NC(C)(C)C)cccc1[N+](=O)[O-] ZINC000229027164 639672475 /nfs/dbraw/zinc/67/24/75/639672475.db2.gz NVOZUESSBPBYTJ-NSHDSACASA-N 0 1 293.367 2.296 20 5 CEBDMN COc1ccc(C)cc1[C@H](C)OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000841188274 639702752 /nfs/dbraw/zinc/70/27/52/639702752.db2.gz JCHXVGCLVBPQMD-MVWJERBFSA-N 0 1 279.292 2.273 20 5 CEBDMN Cc1cccc2c1OCC[C@@H]2OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000841197902 639705385 /nfs/dbraw/zinc/70/53/85/639705385.db2.gz XKQQMCNDCLMKGO-UTUOFQBUSA-N 0 1 277.276 2.027 20 5 CEBDMN O=[N+]([O-])c1cc(COCCc2c[nH]nn2)ccc1Cl ZINC000842066542 639938067 /nfs/dbraw/zinc/93/80/67/639938067.db2.gz POKUDFVIJBPMLV-UHFFFAOYSA-N 0 1 282.687 2.126 20 5 CEBDMN CC[C@@H](CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1)OC ZINC000842147049 639965802 /nfs/dbraw/zinc/96/58/02/639965802.db2.gz ICBZKUUQTCFYJP-HNNXBMFYSA-N 0 1 293.367 2.142 20 5 CEBDMN CCO[C@@H]1C[C@H](OC(=O)[C@@H]2CC2[N+](=O)[O-])C1(CC)CC ZINC000842316936 640011846 /nfs/dbraw/zinc/01/18/46/640011846.db2.gz BDKDIZYBQHFVEZ-KKOKHZNYSA-N 0 1 285.340 2.179 20 5 CEBDMN O=C(Oc1ccc2c(c1)CCCC2)[C@@H]1CC1[N+](=O)[O-] ZINC000842326310 640015856 /nfs/dbraw/zinc/01/58/56/640015856.db2.gz JWOALFZFTDFMDB-CHWSQXEVSA-N 0 1 261.277 2.136 20 5 CEBDMN COc1ccc([C@@H](C)COC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC000842330971 640018507 /nfs/dbraw/zinc/01/85/07/640018507.db2.gz JUWIUIJPYOGMQF-ZWKOPEQDSA-N 0 1 279.292 2.007 20 5 CEBDMN Cc1ncc([N+](=O)[O-])cc1-c1nc([C@H](N)C(C)C)no1 ZINC000843148297 640307262 /nfs/dbraw/zinc/30/72/62/640307262.db2.gz PGDFDRSWALLBJW-SNVBAGLBSA-N 0 1 277.284 2.004 20 5 CEBDMN CC1(C)CCC[C@@H]1[C@@H]1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000843696439 640501279 /nfs/dbraw/zinc/50/12/79/640501279.db2.gz NWTZERHRRLEMON-FDYHWXHSSA-N 0 1 280.368 2.326 20 5 CEBDMN O=C(OCc1cccs1)c1ccc([N+](=O)[O-])[nH]1 ZINC000917939429 640928181 /nfs/dbraw/zinc/92/81/81/640928181.db2.gz RTFBVGSRWUJTNL-UHFFFAOYSA-N 0 1 252.251 2.341 20 5 CEBDMN O=C(OC[C@@H]1CCc2cccnc21)c1ccc([N+](=O)[O-])[nH]1 ZINC000847835527 641800705 /nfs/dbraw/zinc/80/07/05/641800705.db2.gz ALQLDOJAIMRMKP-JTQLQIEISA-N 0 1 287.275 2.205 20 5 CEBDMN CCc1nc([C@@H](C)OC(=O)c2csc([N+](=O)[O-])c2)n[nH]1 ZINC000849699315 642408272 /nfs/dbraw/zinc/40/82/72/642408272.db2.gz GWFVCNGZLSKROQ-ZCFIWIBFSA-N 0 1 296.308 2.255 20 5 CEBDMN C[C@H](NC[C@@H](O)c1ccccn1)c1ccccc1[N+](=O)[O-] ZINC000851907317 643218824 /nfs/dbraw/zinc/21/88/24/643218824.db2.gz SNDKSNZSAVJYLI-XHDPSFHLSA-N 0 1 287.319 2.374 20 5 CEBDMN O=[N+]([O-])c1ccc(F)cc1CN1C[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC000852345712 643401279 /nfs/dbraw/zinc/40/12/79/643401279.db2.gz VSNDBEWQDLCXPH-UHIISALHSA-N 0 1 294.326 2.327 20 5 CEBDMN C[C@]12COC[C@H]1CN(Cc1cc(F)ccc1[N+](=O)[O-])C2 ZINC000852535038 643462695 /nfs/dbraw/zinc/46/26/95/643462695.db2.gz UEFBQAQOWIDYFJ-RISCZKNCSA-N 0 1 280.299 2.202 20 5 CEBDMN Cc1ccc([C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C2CC2)cc1 ZINC000839478066 644238415 /nfs/dbraw/zinc/23/84/15/644238415.db2.gz BKIOGEUVTBOUON-MCIONIFRSA-N 0 1 274.320 2.228 20 5 CEBDMN Cc1ccccc1[C@@H](C)N(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839509225 644245339 /nfs/dbraw/zinc/24/53/39/644245339.db2.gz OHZWLHICBYXLRG-RAIGVLPGSA-N 0 1 262.309 2.180 20 5 CEBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCCC[C@H]1CC1CCC1 ZINC000856272828 644623242 /nfs/dbraw/zinc/62/32/42/644623242.db2.gz SLXFFAMPFHUMEX-YNEHKIRRSA-N 0 1 266.341 2.223 20 5 CEBDMN O=C(NCc1cc2ccccc2s1)[C@@H]1CC1[N+](=O)[O-] ZINC000839579478 644747690 /nfs/dbraw/zinc/74/76/90/644747690.db2.gz GZYMDTFQTQTLSE-GHMZBOCLSA-N 0 1 276.317 2.183 20 5 CEBDMN O=C(N[C@H]1CCC[C@@H]1Cc1ccccc1)[C@@H]1CC1[N+](=O)[O-] ZINC000839687928 644774512 /nfs/dbraw/zinc/77/45/12/644774512.db2.gz NCUHPLAADPNBMN-APIJFGDWSA-N 0 1 288.347 2.179 20 5 CEBDMN C[C@@H]1C[C@@H](c2cccc(F)c2)N(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839689901 644774622 /nfs/dbraw/zinc/77/46/22/644774622.db2.gz AFVBKFCJRBGGPP-WBMYTEFPSA-N 0 1 292.310 2.400 20 5 CEBDMN C[C@H]1[C@@H](Cc2ccccc2)CCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839695934 644776007 /nfs/dbraw/zinc/77/60/07/644776007.db2.gz NDOJRGQXHMSEQN-ZGKBOVNRSA-N 0 1 288.347 2.131 20 5 CEBDMN O=C(NC[C@H]1CCC[C@@H](C(F)(F)F)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000839698746 644777449 /nfs/dbraw/zinc/77/74/49/644777449.db2.gz FJGWDMPRHOYXBG-SGIHWFKDSA-N 0 1 294.273 2.137 20 5 CEBDMN Cc1ccc(C[C@@H](C)NC(=O)[C@@H]2CC2[N+](=O)[O-])c(C)c1 ZINC000839672884 644780225 /nfs/dbraw/zinc/78/02/25/644780225.db2.gz UDQSKLMRJPVTEJ-MRVWCRGKSA-N 0 1 276.336 2.016 20 5 CEBDMN O=C(Nc1ccc(OCC2CC2)cc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839680105 644783268 /nfs/dbraw/zinc/78/32/68/644783268.db2.gz DHIYFKYFASGLSB-CHWSQXEVSA-N 0 1 276.292 2.079 20 5 CEBDMN CCCOc1ccc(CNC(=O)[C@@H]2CC2[N+](=O)[O-])c(C)c1 ZINC000839732316 644784426 /nfs/dbraw/zinc/78/44/26/644784426.db2.gz CCQYZXKJFNTBNM-ZIAGYGMSSA-N 0 1 292.335 2.065 20 5 CEBDMN CCCN(CCc1cccs1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839723903 644792504 /nfs/dbraw/zinc/79/25/04/644792504.db2.gz FAXFQWKRXRGJIJ-VXGBXAGGSA-N 0 1 282.365 2.194 20 5 CEBDMN CCC1(CC)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000839730078 644794757 /nfs/dbraw/zinc/79/47/57/644794757.db2.gz ZDKVVJQBVVYDSW-GHMZBOCLSA-N 0 1 254.330 2.080 20 5 CEBDMN O=C(NCc1csc(C(F)(F)F)c1)[C@@H]1CC1[N+](=O)[O-] ZINC000863494299 646743474 /nfs/dbraw/zinc/74/34/74/646743474.db2.gz MKTUZMKZFJKNCL-RNFRBKRXSA-N 0 1 294.254 2.048 20 5 CEBDMN CNC(=O)C1(NCc2ccc(C)c([N+](=O)[O-])c2)CCCC1 ZINC000779177360 647294942 /nfs/dbraw/zinc/29/49/42/647294942.db2.gz ZUTBEDGQDZCVPU-UHFFFAOYSA-N 0 1 291.351 2.052 20 5 CEBDMN CCN(C)C(=O)[C@@H](C)NCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000789593527 648321012 /nfs/dbraw/zinc/32/10/12/648321012.db2.gz RLSCNSTXGDPZOL-SECBINFHSA-N 0 1 299.758 2.205 20 5 CEBDMN Cc1cc(CNCc2cccc([N+](=O)[O-])c2C)n[nH]1 ZINC000790995708 648470338 /nfs/dbraw/zinc/47/03/38/648470338.db2.gz CATDRKRZEKWJBV-UHFFFAOYSA-N 0 1 260.297 2.225 20 5 CEBDMN Cc1cc(CNCc2cccc([N+](=O)[O-])c2C)[nH]n1 ZINC000790995708 648470339 /nfs/dbraw/zinc/47/03/39/648470339.db2.gz CATDRKRZEKWJBV-UHFFFAOYSA-N 0 1 260.297 2.225 20 5 CEBDMN O=C(NCC[C@H]1CCSC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000869602681 648529528 /nfs/dbraw/zinc/52/95/28/648529528.db2.gz SPNCHVRSWARATH-VIFPVBQESA-N 0 1 296.348 2.173 20 5 CEBDMN C[C@H](NCCCC(=O)N(C)C)c1c(F)cccc1[N+](=O)[O-] ZINC000872029447 649246228 /nfs/dbraw/zinc/24/62/28/649246228.db2.gz XTFCFNBLBSAHGC-JTQLQIEISA-N 0 1 297.330 2.253 20 5 CEBDMN C[C@@H](N[C@@H](CO)CCF)c1c(F)cccc1[N+](=O)[O-] ZINC000872085515 649269069 /nfs/dbraw/zinc/26/90/69/649269069.db2.gz ZIZGTKMQDXSKTJ-RKDXNWHRSA-N 0 1 274.267 2.105 20 5 CEBDMN Cc1noc(CN2CC[C@H]3CSC[C@H]3C2)c1[N+](=O)[O-] ZINC000879564763 651322535 /nfs/dbraw/zinc/32/25/35/651322535.db2.gz LNUFMVPAOMNXBK-VHSXEESVSA-N 0 1 283.353 2.076 20 5 CEBDMN COc1ccc(CN2CC[C@H](CF)C2)cc1[N+](=O)[O-] ZINC000880294605 651417522 /nfs/dbraw/zinc/41/75/22/651417522.db2.gz DGAORHUTTZRJAB-LLVKDONJSA-N 0 1 268.288 2.395 20 5 CEBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC[C@@H](CF)C1 ZINC000881598212 651814643 /nfs/dbraw/zinc/81/46/43/651814643.db2.gz BUTOHXVHQKVYGX-VIFPVBQESA-N 0 1 282.271 2.122 20 5 CEBDMN CC(=O)c1c(N[C@@H]2CCN(C3CC3)C2)cccc1[N+](=O)[O-] ZINC000881845167 651899922 /nfs/dbraw/zinc/89/99/22/651899922.db2.gz GSVJOXACFLAQLI-LLVKDONJSA-N 0 1 289.335 2.446 20 5 CEBDMN C[C@@H]1CN(c2nccc(Cl)c2[N+](=O)[O-])[C@@H](C)CN1C ZINC001164629719 719153767 /nfs/dbraw/zinc/15/37/67/719153767.db2.gz CNQMOMVTCRJYPV-BDAKNGLRSA-N 0 1 284.747 2.172 20 5 CEBDMN O=[N+]([O-])c1cccc([C@H](O)CN2CC[C@H]3[C@@H](C2)C3(F)F)c1 ZINC001168310915 806643404 /nfs/dbraw/zinc/64/34/04/806643404.db2.gz WLFSGDJTAXCSQF-YNEHKIRRSA-N 0 1 298.289 2.215 20 5 CEBDMN CCN(Cn1nccc1[N+](=O)[O-])C1CCCCC1 ZINC000097506359 803059736 /nfs/dbraw/zinc/05/97/36/803059736.db2.gz WJGHJNIWVMNOCK-UHFFFAOYSA-N 0 1 252.318 2.403 20 5 CEBDMN O=[N+]([O-])c1cnn(CN2CCC[C@@H]2C2CCCC2)c1 ZINC000127764217 803154171 /nfs/dbraw/zinc/15/41/71/803154171.db2.gz YZQQGWXLOKUTSB-CYBMUJFWSA-N 0 1 264.329 2.403 20 5 CEBDMN CC[N@H+]1CC[C@@H]1CNc1ncc(Cl)cc1[N+](=O)[O-] ZINC000712525085 814763430 /nfs/dbraw/zinc/76/34/30/814763430.db2.gz BHEAPCZWPPZPKK-SECBINFHSA-N 0 1 270.720 2.149 20 5 CEBDMN CCN1CC[C@@H]1CNc1ncc(Cl)cc1[N+](=O)[O-] ZINC000712525085 814763435 /nfs/dbraw/zinc/76/34/35/814763435.db2.gz BHEAPCZWPPZPKK-SECBINFHSA-N 0 1 270.720 2.149 20 5 CEBDMN CC(C)ONC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC001117770280 814946648 /nfs/dbraw/zinc/94/66/48/814946648.db2.gz QLKAHXRCHYYXKK-QMMMGPOBSA-N 0 1 270.260 2.294 20 5 CEBDMN COC[C@H](C)OC[C@H](C)Oc1cc(O)ccc1[N+](=O)[O-] ZINC001225490378 804885100 /nfs/dbraw/zinc/88/51/00/804885100.db2.gz HQLIYFFFKQMMGG-UWVGGRQHSA-N 0 1 285.296 2.119 20 5 CEBDMN CCN1CC[C@H](Oc2cccc([N+](=O)[O-])c2F)C1 ZINC001225794331 805299954 /nfs/dbraw/zinc/29/99/54/805299954.db2.gz NODHMDJAICTXKG-VIFPVBQESA-N 0 1 254.261 2.207 20 5 CEBDMN Cc1[nH]nc(CNCc2ccccc2[N+](=O)[O-])c1C ZINC000716446343 815124904 /nfs/dbraw/zinc/12/49/04/815124904.db2.gz JCMQBVPIBINEML-UHFFFAOYSA-N 0 1 260.297 2.225 20 5 CEBDMN O=[N+]([O-])c1cc(Cl)ccc1CNCCOCCF ZINC000702544737 809564422 /nfs/dbraw/zinc/56/44/22/809564422.db2.gz DNHWETFMRLSSDR-UHFFFAOYSA-N 0 1 276.695 2.324 20 5 CEBDMN NCc1nc2ccccc2n1[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168964192 811316730 /nfs/dbraw/zinc/31/67/30/811316730.db2.gz RTCTUJPMPXNEOO-QWRGUYRKSA-N 0 1 274.324 2.113 20 5 CEBDMN COc1cccc2c1CN([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)CC2 ZINC001169007650 811333229 /nfs/dbraw/zinc/33/32/29/811333229.db2.gz OWYAWPPEJHPLBH-TZMCWYRMSA-N 0 1 290.363 2.499 20 5 CEBDMN CC(C)(C)OC(=O)[C@@H]1CCCN1[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169034173 811346036 /nfs/dbraw/zinc/34/60/36/811346036.db2.gz FTQIBGMCNBALEU-XQQFMLRXSA-N 0 1 298.383 2.238 20 5 CEBDMN C[C@@H](C(=O)OC(C)(C)C)N(C)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169039035 811349515 /nfs/dbraw/zinc/34/95/15/811349515.db2.gz MPRQFIQSRJXGSB-SDDRHHMPSA-N 0 1 286.372 2.094 20 5 CEBDMN CCN(CC(=O)OC(C)(C)C)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169040366 811351626 /nfs/dbraw/zinc/35/16/26/811351626.db2.gz ZJSZUSSNISEEAL-NEPJUHHUSA-N 0 1 286.372 2.095 20 5 CEBDMN Cc1cc([N+](=O)[O-])cc(NCC2CN(C)C2)c1F ZINC001170256403 812363089 /nfs/dbraw/zinc/36/30/89/812363089.db2.gz KBTHEKMYTQDDOZ-UHFFFAOYSA-N 0 1 253.277 2.016 20 5 CEBDMN COc1ccc(C[C@H](C)N2CC=CC2)c([N+](=O)[O-])c1 ZINC001170329747 812389685 /nfs/dbraw/zinc/38/96/85/812389685.db2.gz SXIXKUBSDHWDSU-NSHDSACASA-N 0 1 262.309 2.406 20 5 CEBDMN COC1CN([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172904734 815541080 /nfs/dbraw/zinc/54/10/80/815541080.db2.gz ACMMKZDCPYQLOE-CYBMUJFWSA-N 0 1 276.336 2.173 20 5 CEBDMN CC[C@@](N)(CO)Nc1cc2ccccc2c([N+](=O)[O-])c1 ZINC001170866735 813563512 /nfs/dbraw/zinc/56/35/12/813563512.db2.gz XRVDDTQEJPRGLG-AWEZNQCLSA-N 0 1 275.308 2.217 20 5 CEBDMN CC[N@@H+](Cc1ccc(C)c([N+](=O)[O-])c1)[C@@H](C)C(=O)[O-] ZINC000714018917 814882027 /nfs/dbraw/zinc/88/20/27/814882027.db2.gz LFISMGJFOYANFW-JTQLQIEISA-N 0 1 266.297 2.198 20 5 CEBDMN COC(=O)CC1CN([C@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173225630 815629281 /nfs/dbraw/zinc/62/92/81/815629281.db2.gz DYZPQHMLQIMOIS-LLVKDONJSA-N 0 1 292.335 2.021 20 5 CEBDMN CCN1C[C@H](NC(=O)c2ccc([N+](=O)[O-])s2)C(C)(C)C1 ZINC001178856215 816808478 /nfs/dbraw/zinc/80/84/78/816808478.db2.gz JFAOMEYZNPQFTR-JTQLQIEISA-N 0 1 297.380 2.116 20 5 CEBDMN CCOc1ccc([N+](=O)[O-])cc1CN(C)C[C@H](O)C1CC1 ZINC000079769197 343990140 /nfs/dbraw/zinc/99/01/40/343990140.db2.gz GWWOBYZPTOEPRE-AWEZNQCLSA-N 0 1 294.351 2.196 20 5 CEBDMN COC[C@]1(C)CC[N@@H+](Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000449389463 282213144 /nfs/dbraw/zinc/21/31/44/282213144.db2.gz DBEPKQSIVGKRLN-CQSZACIVSA-N 0 1 280.324 2.159 20 5 CEBDMN O=C1[C@@H]2CCCC2=NN1c1ccc([N+](=O)[O-])cc1F ZINC000601941537 346935004 /nfs/dbraw/zinc/93/50/04/346935004.db2.gz CUPFQSFLMTZVHG-MRVPVSSYSA-N 0 1 263.228 2.237 20 5 CEBDMN O=c1c2c([nH]n1-c1ccc([N+](=O)[O-])cc1F)CCC2 ZINC000601941537 346935006 /nfs/dbraw/zinc/93/50/06/346935006.db2.gz CUPFQSFLMTZVHG-MRVPVSSYSA-N 0 1 263.228 2.237 20 5 CEBDMN Cc1cc([N+](=O)[O-])ccc1-n1[nH]c([C@@H]2CCOC2)cc1=O ZINC000601943145 346935924 /nfs/dbraw/zinc/93/59/24/346935924.db2.gz PFLFPSQWUAAOAJ-SNVBAGLBSA-N 0 1 289.291 2.032 20 5 CEBDMN CCN1CCN(c2ccc3ncccc3c2[N+](=O)[O-])CC1 ZINC000042109327 343447732 /nfs/dbraw/zinc/44/77/32/343447732.db2.gz UVGFCNXHNVVALI-UHFFFAOYSA-N 0 1 286.335 2.285 20 5 CEBDMN C[C@H](c1ccccc1[N+](=O)[O-])N1CCC[C@H](OCCO)C1 ZINC000075745432 343865153 /nfs/dbraw/zinc/86/51/53/343865153.db2.gz PAIYHIYTJGIKQD-OLZOCXBDSA-N 0 1 294.351 2.129 20 5 CEBDMN C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC[C@H](OCCO)C1 ZINC000075745430 343865204 /nfs/dbraw/zinc/86/52/04/343865204.db2.gz PAIYHIYTJGIKQD-STQMWFEESA-N 0 1 294.351 2.129 20 5 CEBDMN Cc1[nH]nc(C(=O)N(C)CCc2cccs2)c1[N+](=O)[O-] ZINC000081298695 344045229 /nfs/dbraw/zinc/04/52/29/344045229.db2.gz RRPMVGGDBRAWHV-UHFFFAOYSA-N 0 1 294.336 2.003 20 5 CEBDMN Cc1cc(C[C@@H](C)Nc2ncc([N+](=O)[O-])cc2C)[nH]n1 ZINC000092685755 344200754 /nfs/dbraw/zinc/20/07/54/344200754.db2.gz GNVZMCDFILXTJB-SECBINFHSA-N 0 1 275.312 2.373 20 5 CEBDMN CC(C)[C@H]1CCC[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000140484242 344398290 /nfs/dbraw/zinc/39/82/90/344398290.db2.gz QKONOSBDUSCMSB-CYBMUJFWSA-N 0 1 291.351 2.314 20 5 CEBDMN O=[N+]([O-])c1cccc(-c2nc([C@H]3CCCN3)no2)c1 ZINC000228560333 344560988 /nfs/dbraw/zinc/56/09/88/344560988.db2.gz AYIFWXJYONQRBF-SNVBAGLBSA-N 0 1 260.253 2.069 20 5 CEBDMN O=[N+]([O-])c1ccc2oc(CNCC[C@H]3CCCO3)nc2c1 ZINC000602511292 347062033 /nfs/dbraw/zinc/06/20/33/347062033.db2.gz NYVOVUOHSQMCFM-LLVKDONJSA-N 0 1 291.307 2.395 20 5 CEBDMN CO[C@H](C)CCNCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602527766 347067098 /nfs/dbraw/zinc/06/70/98/347067098.db2.gz KXZIKJPRFRQROZ-SECBINFHSA-N 0 1 279.296 2.251 20 5 CEBDMN O=[N+]([O-])c1ccc2oc(CN[C@H]3CCCOC3)nc2c1 ZINC000602540519 347071140 /nfs/dbraw/zinc/07/11/40/347071140.db2.gz OFYCAATXOHUKSO-VIFPVBQESA-N 0 1 277.280 2.005 20 5 CEBDMN Cc1[nH]nc(C(=O)N2CCC3(CCC3)CC2)c1[N+](=O)[O-] ZINC000588023056 345035061 /nfs/dbraw/zinc/03/50/61/345035061.db2.gz QFJPOHZDOISLBF-UHFFFAOYSA-N 0 1 278.312 2.033 20 5 CEBDMN C[N@@H+](Cc1ccccc1[N+](=O)[O-])CC1(CC(=O)[O-])CC1 ZINC000593731742 345529843 /nfs/dbraw/zinc/52/98/43/345529843.db2.gz BAQHDCBYRAEKGX-UHFFFAOYSA-N 0 1 278.308 2.282 20 5 CEBDMN C[C@H](N(C)Cc1ccc(F)cc1[N+](=O)[O-])C(C)(C)O ZINC000595509177 345799673 /nfs/dbraw/zinc/79/96/73/345799673.db2.gz DAWNIRZFVOOYJB-VIFPVBQESA-N 0 1 270.304 2.325 20 5 CEBDMN CC(C)=CCCN1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000595523748 345803373 /nfs/dbraw/zinc/80/33/73/345803373.db2.gz LRSPXMOYBABZEZ-UHFFFAOYSA-N 0 1 290.367 2.468 20 5 CEBDMN CO[C@@]1(CO)CCCN([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000595664556 345841910 /nfs/dbraw/zinc/84/19/10/345841910.db2.gz ZXLGOGXJHYOSIU-DOMZBBRYSA-N 0 1 294.351 2.129 20 5 CEBDMN COC(=O)c1ccc([N+](=O)[O-])c(CN2CC[C@@H]3C[C@@H]3C2)c1 ZINC000595808611 345880372 /nfs/dbraw/zinc/88/03/72/345880372.db2.gz DHTNWWWZGMVSAK-ZYHUDNBSSA-N 0 1 290.319 2.223 20 5 CEBDMN COc1ccc([N+](=O)[O-])cc1CN1C[C@H](C)[C@](C)(CO)C1 ZINC000595873716 345903831 /nfs/dbraw/zinc/90/38/31/345903831.db2.gz MTBFTSSCDMXWPJ-NHYWBVRUSA-N 0 1 294.351 2.054 20 5 CEBDMN Cc1cc(NCCc2n[nH]c(C)n2)c([N+](=O)[O-])s1 ZINC000596153873 345953806 /nfs/dbraw/zinc/95/38/06/345953806.db2.gz XRWMNRNGNVYEQC-UHFFFAOYSA-N 0 1 267.314 2.046 20 5 CEBDMN Cc1cc(NCCc2nnc(C)[nH]2)c([N+](=O)[O-])s1 ZINC000596153873 345953808 /nfs/dbraw/zinc/95/38/08/345953808.db2.gz XRWMNRNGNVYEQC-UHFFFAOYSA-N 0 1 267.314 2.046 20 5 CEBDMN CN(CC1CN(C)C1)c1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000596452453 346027717 /nfs/dbraw/zinc/02/77/17/346027717.db2.gz DPLARVGATTYQGZ-UHFFFAOYSA-N 0 1 286.335 2.141 20 5 CEBDMN O=[N+]([O-])c1ccccc1C[N@@H+]1CCCc2n[nH]cc2C1 ZINC000596594143 346062023 /nfs/dbraw/zinc/06/20/23/346062023.db2.gz PKGOBXYGGYZOFB-UHFFFAOYSA-N 0 1 272.308 2.266 20 5 CEBDMN CC(C)[C@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)C1CC1 ZINC000598382204 346342908 /nfs/dbraw/zinc/34/29/08/346342908.db2.gz VBOHFBCGQXISTD-ZDUSSCGKSA-N 0 1 278.308 2.465 20 5 CEBDMN C[C@H]1OCC[C@]1(C)NCc1ccc([N+](=O)[O-])cc1F ZINC000336810053 365848801 /nfs/dbraw/zinc/84/88/01/365848801.db2.gz GYBXBBFNMOBQCV-RNCFNFMXSA-N 0 1 268.288 2.391 20 5 CEBDMN O=[N+]([O-])c1ccc(-c2cccc([C@@H]3COCCN3)c2)cn1 ZINC000600789506 346690533 /nfs/dbraw/zinc/69/05/33/346690533.db2.gz TVBFLGZJDOBIBK-AWEZNQCLSA-N 0 1 285.303 2.318 20 5 CEBDMN CC[C@H](CNCc1nc2cc([N+](=O)[O-])ccc2o1)OC ZINC000602666313 347132275 /nfs/dbraw/zinc/13/22/75/347132275.db2.gz HCCNNVCQCGBVHK-SNVBAGLBSA-N 0 1 279.296 2.251 20 5 CEBDMN CC1(C)COCCN1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000064247769 362783544 /nfs/dbraw/zinc/78/35/44/362783544.db2.gz HETGCOHJUDDGTD-UHFFFAOYSA-N 0 1 294.351 2.475 20 5 CEBDMN C[C@H](CN(C)Cc1cn(C)nc1[N+](=O)[O-])C(C)(C)C ZINC000602760721 347187043 /nfs/dbraw/zinc/18/70/43/347187043.db2.gz QZWIWEWPFWVIOS-SNVBAGLBSA-N 0 1 268.361 2.442 20 5 CEBDMN O=[N+]([O-])c1ccc(O)cc1CN1OC2CCC1CC2 ZINC000603033221 347275307 /nfs/dbraw/zinc/27/53/07/347275307.db2.gz XIENTNAYQHQXNQ-UHFFFAOYSA-N 0 1 264.281 2.359 20 5 CEBDMN O=C(Nc1cnn(-c2ccncc2)c1)c1ccc([N+](=O)[O-])o1 ZINC000608900437 347623238 /nfs/dbraw/zinc/62/32/38/347623238.db2.gz LCSSELGKECNNHG-UHFFFAOYSA-N 0 1 299.246 2.021 20 5 CEBDMN Cc1cc(CNc2ccc([N+](=O)[O-])cc2F)n[nH]1 ZINC000609595817 347646141 /nfs/dbraw/zinc/64/61/41/347646141.db2.gz RPAKOKKUUUAHSG-UHFFFAOYSA-N 0 1 250.233 2.378 20 5 CEBDMN COc1ccc(OCCN2C[C@H]3CCC[C@H]32)c([N+](=O)[O-])c1 ZINC000610762784 347712890 /nfs/dbraw/zinc/71/28/90/347712890.db2.gz VIWXDRFRNXVMGB-DGCLKSJQSA-N 0 1 292.335 2.467 20 5 CEBDMN CCN1CCN(Cc2c(F)cccc2[N+](=O)[O-])C[C@@H]1C ZINC000611092522 347739122 /nfs/dbraw/zinc/73/91/22/347739122.db2.gz XIASSDZOVYHJDF-NSHDSACASA-N 0 1 281.331 2.260 20 5 CEBDMN O=[N+]([O-])c1ccc(OCCNCc2nccs2)cc1 ZINC000611439478 347780204 /nfs/dbraw/zinc/78/02/04/347780204.db2.gz TYJXGFZVEXBTQL-UHFFFAOYSA-N 0 1 279.321 2.220 20 5 CEBDMN COC[C@@](C)(CO)NCc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000611479894 347783938 /nfs/dbraw/zinc/78/39/38/347783938.db2.gz SSHMBCMMZFPJBF-OAHLLOKOSA-N 0 1 296.367 2.205 20 5 CEBDMN O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H](C1CC1)N1CCCC1 ZINC000612652188 347912927 /nfs/dbraw/zinc/91/29/27/347912927.db2.gz ALEJDZCDXWYPOL-CQSZACIVSA-N 0 1 289.335 2.408 20 5 CEBDMN CCC[N@@H+](CC(=O)[O-])[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000086776141 179327870 /nfs/dbraw/zinc/32/78/70/179327870.db2.gz MGKFIKWZNXXSDA-JTQLQIEISA-N 0 1 266.297 2.452 20 5 CEBDMN CCN1CCN(c2c3c(ccc2[N+](=O)[O-])NCC3)C[C@H]1C ZINC000618157205 348887484 /nfs/dbraw/zinc/88/74/84/348887484.db2.gz RDCCKFMOIQPOMI-LLVKDONJSA-N 0 1 290.367 2.093 20 5 CEBDMN COC[C@H]1CCCN1Cc1ccc([N+](=O)[O-])cc1OC ZINC000619531684 349194937 /nfs/dbraw/zinc/19/49/37/349194937.db2.gz VVLIKZBAKIUWGU-CYBMUJFWSA-N 0 1 280.324 2.214 20 5 CEBDMN O=[N+]([O-])c1ccc(OCCCN2CCOCC23CC3)cc1 ZINC000619815017 349238155 /nfs/dbraw/zinc/23/81/55/349238155.db2.gz QDODLLRJBZTUCU-UHFFFAOYSA-N 0 1 292.335 2.229 20 5 CEBDMN O=[N+]([O-])c1ccc(CN2CC[C@H](n3cccn3)C2)cc1 ZINC000291225728 197959236 /nfs/dbraw/zinc/95/92/36/197959236.db2.gz JUNOJJLLGQAOTP-AWEZNQCLSA-N 0 1 272.308 2.238 20 5 CEBDMN Cc1ccc(CN[C@@H](CO)CC(F)(F)F)cc1[N+](=O)[O-] ZINC000339794106 215343034 /nfs/dbraw/zinc/34/30/34/215343034.db2.gz JSJHYPRTAVXHKP-SNVBAGLBSA-N 0 1 292.257 2.306 20 5 CEBDMN C[C@H](O)C[C@@H]1CCCN1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000124041304 187119962 /nfs/dbraw/zinc/11/99/62/187119962.db2.gz ZFUQOBTZPCMRQU-JQWIXIFHSA-N 0 1 282.315 2.469 20 5 CEBDMN Cc1ccc(C(=O)N(C)[C@@H]2CCCN(C)C2)cc1[N+](=O)[O-] ZINC000153740092 188100620 /nfs/dbraw/zinc/10/06/20/188100620.db2.gz AONKBKBNTZBMPD-CYBMUJFWSA-N 0 1 291.351 2.069 20 5 CEBDMN CCCc1[nH]nc(C(=O)N2C[C@@H]3CCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000154201407 188129138 /nfs/dbraw/zinc/12/91/38/188129138.db2.gz HZGQORWLMPHGAF-AOOOYVTPSA-N 0 1 292.339 2.143 20 5 CEBDMN CC(C)N1C[C@@H](C)[C@@H](NC(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000155677268 188220792 /nfs/dbraw/zinc/22/07/92/188220792.db2.gz XTPJTHKXGDIADT-ZJUUUORDSA-N 0 1 297.380 2.115 20 5 CEBDMN CCNC(=O)[C@@H](NCc1cccc([N+](=O)[O-])c1C)C(C)C ZINC000292741815 198395567 /nfs/dbraw/zinc/39/55/67/198395567.db2.gz AMOPDYNFBBDUKN-AWEZNQCLSA-N 0 1 293.367 2.154 20 5 CEBDMN CCCc1[nH]nc(C(=O)N2CC[C@H](C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000132012468 366110286 /nfs/dbraw/zinc/11/02/86/366110286.db2.gz SGDUEGQWWSTHGS-UWVGGRQHSA-N 0 1 294.355 2.389 20 5 CEBDMN CC[C@@H](C(N)=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451550058 283031332 /nfs/dbraw/zinc/03/13/32/283031332.db2.gz QRKSKKNTFXHHDZ-OCCSQVGLSA-N 0 1 291.351 2.038 20 5 CEBDMN CO[C@@H]1CCC[C@H]1NCc1c(F)cccc1[N+](=O)[O-] ZINC000451625780 283055641 /nfs/dbraw/zinc/05/56/41/283055641.db2.gz YEVQYPYFQLBQOR-DGCLKSJQSA-N 0 1 268.288 2.391 20 5 CEBDMN CC(C)CNC(=O)CN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000134892511 366369096 /nfs/dbraw/zinc/36/90/96/366369096.db2.gz OKPUBFAEYPQIRW-NSHDSACASA-N 0 1 279.340 2.018 20 5 CEBDMN Cc1ccc([C@H](C)N[C@@H](C)C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000134892628 366369426 /nfs/dbraw/zinc/36/94/26/366369426.db2.gz VLQUWNQIFWKINC-QWRGUYRKSA-N 0 1 291.351 2.221 20 5 CEBDMN COc1ccc(C[N@H+]2CCC[C@@]2(C)C(=O)[O-])cc1[N+](=O)[O-] ZINC000079487380 363607399 /nfs/dbraw/zinc/60/73/99/363607399.db2.gz UJSFXPWESMXUPJ-AWEZNQCLSA-N 0 1 294.307 2.043 20 5 CEBDMN C[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1C(=O)[O-] ZINC000578626242 366522904 /nfs/dbraw/zinc/52/29/04/366522904.db2.gz GJBBLZKHIWEMIB-MFKMUULPSA-N 0 1 278.308 2.137 20 5 CEBDMN O=[N+]([O-])c1ccc([O-])cc1C[N@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000339010437 366613065 /nfs/dbraw/zinc/61/30/65/366613065.db2.gz BNVMWZMLLXNBIA-RISCZKNCSA-N 0 1 292.335 2.301 20 5 CEBDMN C[C@H]1CC[C@](CO)([N@@H+](C)Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000339100304 366654141 /nfs/dbraw/zinc/65/41/41/366654141.db2.gz KIEYBDWJPSZHPQ-NHYWBVRUSA-N 0 1 294.351 2.283 20 5 CEBDMN C[C@@H]1CCN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC000177875920 189075702 /nfs/dbraw/zinc/07/57/02/189075702.db2.gz NBPZDCSCPSBVLU-VXGBXAGGSA-N 0 1 291.351 2.288 20 5 CEBDMN Cc1[nH]nc(C(=O)N(C)[C@@H](C)c2ccccc2)c1[N+](=O)[O-] ZINC000299593062 200794783 /nfs/dbraw/zinc/79/47/83/200794783.db2.gz ZZHVYFBXFZQDPB-JTQLQIEISA-N 0 1 288.307 2.460 20 5 CEBDMN C[C@H]1CCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000299657470 200822877 /nfs/dbraw/zinc/82/28/77/200822877.db2.gz POHWIYMJXSQNFJ-JTQLQIEISA-N 0 1 288.307 2.487 20 5 CEBDMN Cc1ccc([C@@H](C)NCC(=O)N(C)C2CC2)cc1[N+](=O)[O-] ZINC000181815711 189307439 /nfs/dbraw/zinc/30/74/39/189307439.db2.gz XDAARFOFSDUGTR-LLVKDONJSA-N 0 1 291.351 2.175 20 5 CEBDMN O=[N+]([O-])c1cccc(CCNc2nc(C3CC3)ns2)c1 ZINC000340083171 366765796 /nfs/dbraw/zinc/76/57/96/366765796.db2.gz QMAXGLMSQMXJPW-UHFFFAOYSA-N 0 1 290.348 2.400 20 5 CEBDMN C[C@H](N[C@H]1CC(=O)N(C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000090181199 364046222 /nfs/dbraw/zinc/04/62/22/364046222.db2.gz DQDSOIRQQOLBBI-JQWIXIFHSA-N 0 1 289.335 2.009 20 5 CEBDMN C[N@@H+](CCC(=O)[O-])Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000093633503 364204609 /nfs/dbraw/zinc/20/46/09/364204609.db2.gz JIXBNWUHOOIRES-UHFFFAOYSA-N 0 1 272.688 2.155 20 5 CEBDMN CC(C)[C@H](C)CNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356603950 370770591 /nfs/dbraw/zinc/77/05/91/370770591.db2.gz WCOISTHJJNGJKV-SECBINFHSA-N 0 1 266.297 2.322 20 5 CEBDMN O=C(N[C@H]1C[C@@H]1C1CCCCC1)c1n[nH]cc1[N+](=O)[O-] ZINC000119619470 365299759 /nfs/dbraw/zinc/29/97/59/365299759.db2.gz GOLKXWFZZXPUDX-ZJUUUORDSA-N 0 1 278.312 2.017 20 5 CEBDMN O=[N+]([O-])c1cc(O)cc(-c2nc(Cc3cccnc3)no2)c1 ZINC000340648083 366968612 /nfs/dbraw/zinc/96/86/12/366968612.db2.gz HEBQOEWKAAOLCM-UHFFFAOYSA-N 0 1 298.258 2.336 20 5 CEBDMN Cc1cc(C[C@@H](C)NC(=O)c2ccc([N+](=O)[O-])s2)n[nH]1 ZINC000161207857 367068853 /nfs/dbraw/zinc/06/88/53/367068853.db2.gz VGCGTAGHKCTIMV-SSDOTTSWSA-N 0 1 294.336 2.049 20 5 CEBDMN CCN1CCN(c2cc(C)ccc2[N+](=O)[O-])[C@H](C)C1 ZINC000343271770 367737910 /nfs/dbraw/zinc/73/79/10/367737910.db2.gz CIPDHILSMWKEHD-GFCCVEGCSA-N 0 1 263.341 2.434 20 5 CEBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC[C@@H]1C(F)F ZINC000343383580 367783134 /nfs/dbraw/zinc/78/31/34/367783134.db2.gz ZHSDVYWVQCARIJ-SNVBAGLBSA-N 0 1 286.234 2.170 20 5 CEBDMN CN(C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)C1CCC1 ZINC000172774508 367817033 /nfs/dbraw/zinc/81/70/33/367817033.db2.gz UVDKVSGKSKFLBI-UHFFFAOYSA-N 0 1 274.280 2.096 20 5 CEBDMN CN(Cc1csc([N+](=O)[O-])c1)[C@H]1CC[C@H](O)CC1 ZINC000275946101 193170749 /nfs/dbraw/zinc/17/07/49/193170749.db2.gz ZBQWKNVQVIAKAR-XYPYZODXSA-N 0 1 270.354 2.392 20 5 CEBDMN CC(C)[C@H]1CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000330780201 203227616 /nfs/dbraw/zinc/22/76/16/203227616.db2.gz NNOFOYHGCASKAG-JTQLQIEISA-N 0 1 278.308 2.419 20 5 CEBDMN CCN(C)C(=O)[C@H](C)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000188474255 369362185 /nfs/dbraw/zinc/36/21/85/369362185.db2.gz LXGNTFWDDGNCKR-NEPJUHHUSA-N 0 1 293.367 2.421 20 5 CEBDMN Cc1[nH]ncc1CNC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000188825220 369415104 /nfs/dbraw/zinc/41/51/04/369415104.db2.gz GEFACPHYRCXKSR-UHFFFAOYSA-N 0 1 289.295 2.256 20 5 CEBDMN C[C@@H]1CCC[C@@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC000188931756 369431736 /nfs/dbraw/zinc/43/17/36/369431736.db2.gz HYTGUPPQUOUXEZ-RKDXNWHRSA-N 0 1 266.301 2.017 20 5 CEBDMN NC(=O)C1(NCc2ccc([N+](=O)[O-])c(F)c2)CCCCC1 ZINC000276276598 193268024 /nfs/dbraw/zinc/26/80/24/193268024.db2.gz FACLJXPFIDBCHQ-UHFFFAOYSA-N 0 1 295.314 2.012 20 5 CEBDMN CCN1CCN(Cc2c(F)cccc2[N+](=O)[O-])[C@H](C)C1 ZINC000352700748 369845052 /nfs/dbraw/zinc/84/50/52/369845052.db2.gz UMNMQPNMQRVOLO-LLVKDONJSA-N 0 1 281.331 2.260 20 5 CEBDMN CCc1[nH]nc(C(=O)N2CC[C@@H](C)[C@H]2CC)c1[N+](=O)[O-] ZINC000192906627 369870637 /nfs/dbraw/zinc/87/06/37/369870637.db2.gz CRWPXDZSKFIPEY-PSASIEDQSA-N 0 1 280.328 2.141 20 5 CEBDMN COC(=O)CC1(NCc2ccc([N+](=O)[O-])cc2F)CCC1 ZINC000352810321 369887682 /nfs/dbraw/zinc/88/76/82/369887682.db2.gz MXKUZLIPJCUCFH-UHFFFAOYSA-N 0 1 296.298 2.309 20 5 CEBDMN C[C@H]1CCCCN1CCNc1ncc([N+](=O)[O-])s1 ZINC000195508942 370135880 /nfs/dbraw/zinc/13/58/80/370135880.db2.gz VXBYWUKAYVNNSN-VIFPVBQESA-N 0 1 270.358 2.338 20 5 CEBDMN Cc1c(CN[C@H](C)c2cnn(C)c2)cccc1[N+](=O)[O-] ZINC000230640051 370461510 /nfs/dbraw/zinc/46/15/10/370461510.db2.gz OWOQMWPDXBDZSD-LLVKDONJSA-N 0 1 274.324 2.488 20 5 CEBDMN C[C@H](CNC(=O)c1cc(O)cc([N+](=O)[O-])c1)C(F)(F)F ZINC000358924594 371268387 /nfs/dbraw/zinc/26/83/87/371268387.db2.gz COPUAZQQVFBUKD-ZCFIWIBFSA-N 0 1 292.213 2.229 20 5 CEBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(=Cc2ccccc2)CC1 ZINC000361030383 371610383 /nfs/dbraw/zinc/61/03/83/371610383.db2.gz CBDBLAWJKJXYQY-HUUCEWRRSA-N 0 1 286.331 2.358 20 5 CEBDMN CCN(Cc1ccc(OC)c([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000361228728 371726965 /nfs/dbraw/zinc/72/69/65/371726965.db2.gz NMNJJCAEKRTFKD-LBPRGKRZSA-N 0 1 280.324 2.214 20 5 CEBDMN C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1CO ZINC000361652209 372003483 /nfs/dbraw/zinc/00/34/83/372003483.db2.gz FLAWMQLXUXXJQD-MWLCHTKSSA-N 0 1 284.743 2.308 20 5 CEBDMN CC(C)c1[nH]nc(C(=O)N(C)Cc2ccco2)c1[N+](=O)[O-] ZINC000269323849 372418874 /nfs/dbraw/zinc/41/88/74/372418874.db2.gz KEIKRRFRVAQKAP-UHFFFAOYSA-N 0 1 292.295 2.307 20 5 CEBDMN CCOc1ccc([N+](=O)[O-])cc1CN1C[C@@H](CC)[C@H](O)C1 ZINC000270996131 373054143 /nfs/dbraw/zinc/05/41/43/373054143.db2.gz YMQHOSVVDQBSPE-BXUZGUMPSA-N 0 1 294.351 2.196 20 5 CEBDMN O=C(N[C@H]1C[C@H](c2ccc(Cl)cc2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000366522189 373079101 /nfs/dbraw/zinc/07/91/01/373079101.db2.gz NLANVRGNKHYLKW-OJAKKHQRSA-N 0 1 294.738 2.367 20 5 CEBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC=C(c2cccc(F)c2)CC1 ZINC000370252102 373617055 /nfs/dbraw/zinc/61/70/55/373617055.db2.gz YYMLOZQSQDSCIM-KGLIPLIRSA-N 0 1 290.294 2.107 20 5 CEBDMN Cc1[nH]nc(C(=O)N2CC[C@@H](C)C(C)(C)C2)c1[N+](=O)[O-] ZINC000274285416 373867450 /nfs/dbraw/zinc/86/74/50/373867450.db2.gz ZOVGLCROEMGTDW-MRVPVSSYSA-N 0 1 280.328 2.135 20 5 CEBDMN C[C@@H]1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])[C@@H](c2ccco2)C1 ZINC000374127917 374494745 /nfs/dbraw/zinc/49/47/45/374494745.db2.gz BPDONKTYHNKKMN-DDHJBXDOSA-N 0 1 278.308 2.244 20 5 CEBDMN Cc1[nH]nc(C(=O)N2CCCCC[C@@H]2C)c1[N+](=O)[O-] ZINC000408166060 375421159 /nfs/dbraw/zinc/42/11/59/375421159.db2.gz WDWYYRUCXIGUGP-QMMMGPOBSA-N 0 1 266.301 2.031 20 5 CEBDMN Cc1[nH]nc(C(=O)N2CCC[C@@H]2C2CCC2)c1[N+](=O)[O-] ZINC000263982402 190087495 /nfs/dbraw/zinc/08/74/95/190087495.db2.gz BUQNZJLHFGAPCV-SNVBAGLBSA-N 0 1 278.312 2.031 20 5 CEBDMN Cc1c[nH]nc1C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000290020756 376605471 /nfs/dbraw/zinc/60/54/71/376605471.db2.gz VDLHXFRIBLHILW-SNVBAGLBSA-N 0 1 260.297 2.477 20 5 CEBDMN CCN(C(=O)c1n[nH]c(C)c1[N+](=O)[O-])[C@@H](C)C(C)C ZINC000558425133 376607221 /nfs/dbraw/zinc/60/72/21/376607221.db2.gz QVOAWNLVAHNCBC-VIFPVBQESA-N 0 1 268.317 2.133 20 5 CEBDMN CC(C)n1cc(CNCCc2cccc([N+](=O)[O-])c2)nn1 ZINC000290220722 376692093 /nfs/dbraw/zinc/69/20/93/376692093.db2.gz WZXVILCKBMTHDM-UHFFFAOYSA-N 0 1 289.339 2.100 20 5 CEBDMN CN1CCC[C@@H]1C(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000293898497 377814544 /nfs/dbraw/zinc/81/45/44/377814544.db2.gz HCCLNMGZFDFDRT-CYBMUJFWSA-N 0 1 291.351 2.040 20 5 CEBDMN CC(C)N(CCOc1ccccc1[N+](=O)[O-])C1COC1 ZINC000295289004 378086709 /nfs/dbraw/zinc/08/67/09/378086709.db2.gz DOMISXMDRHMBAL-UHFFFAOYSA-N 0 1 280.324 2.083 20 5 CEBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC(CF)CC1 ZINC000295694369 378267739 /nfs/dbraw/zinc/26/77/39/378267739.db2.gz IKSSYUGPKQVCJG-UHFFFAOYSA-N 0 1 282.271 2.122 20 5 CEBDMN Cc1cccc(C(=O)N(C)[C@@H]2CCCN(C)C2)c1[N+](=O)[O-] ZINC000266188481 190238965 /nfs/dbraw/zinc/23/89/65/190238965.db2.gz USOJXJOWMUZDPG-GFCCVEGCSA-N 0 1 291.351 2.069 20 5 CEBDMN CCN1C[C@H](C)N(c2ncc([N+](=O)[O-])cc2F)C[C@H]1C ZINC000517709049 379376381 /nfs/dbraw/zinc/37/63/81/379376381.db2.gz HILDBKZIPLTMJW-ZJUUUORDSA-N 0 1 282.319 2.048 20 5 CEBDMN CC(C)N(Cc1csc([N+](=O)[O-])c1)C[C@@H](C)O ZINC000303984182 379503457 /nfs/dbraw/zinc/50/34/57/379503457.db2.gz HNYPVAYWEBFHSA-SECBINFHSA-N 0 1 258.343 2.248 20 5 CEBDMN CCOc1cc(CN2CC[C@@](O)(CC)C2)ccc1[N+](=O)[O-] ZINC000492819837 380700001 /nfs/dbraw/zinc/70/00/01/380700001.db2.gz UAQPUPNZLPARJL-HNNXBMFYSA-N 0 1 294.351 2.340 20 5 CEBDMN Cc1nc([C@H](C)Nc2c(F)cc([N+](=O)[O-])cc2F)n[nH]1 ZINC000286640105 196664520 /nfs/dbraw/zinc/66/45/20/196664520.db2.gz VTLFSHVZTBZLHE-YFKPBYRVSA-N 0 1 283.238 2.473 20 5 CEBDMN CCOC(=O)[C@H](C)[C@H](C)NCc1ccc([N+](=O)[O-])cc1F ZINC000283155264 195804779 /nfs/dbraw/zinc/80/47/79/195804779.db2.gz OSRUGBMJGVSUIC-ZJUUUORDSA-N 0 1 298.314 2.411 20 5 CEBDMN Cc1nc([C@@H](C)Sc2ccc([N+](=O)[O-])cn2)n[nH]1 ZINC000413004616 394458942 /nfs/dbraw/zinc/45/89/42/394458942.db2.gz XFGNNXCWMUFKSN-ZCFIWIBFSA-N 0 1 265.298 2.270 20 5 CEBDMN CC(C)c1[nH]nc(C(=O)N2CCCCCC2)c1[N+](=O)[O-] ZINC000269295086 394716817 /nfs/dbraw/zinc/71/68/17/394716817.db2.gz AEVOQRIUCIUOGI-UHFFFAOYSA-N 0 1 280.328 2.458 20 5 CEBDMN CCC[C@@](C)(NCc1cc(O)ccc1[N+](=O)[O-])C(=O)OC ZINC000358304229 394717387 /nfs/dbraw/zinc/71/73/87/394717387.db2.gz VQABNYDRRCUURT-CQSZACIVSA-N 0 1 296.323 2.122 20 5 CEBDMN CC(C)c1ccc(CN[C@H](C)C(=O)N(C)C)cc1[N+](=O)[O-] ZINC000359787590 394776218 /nfs/dbraw/zinc/77/62/18/394776218.db2.gz AYFAFWODHRTBNJ-LLVKDONJSA-N 0 1 293.367 2.285 20 5 CEBDMN CC(C)c1nc([C@@H](C)Nc2ncc([N+](=O)[O-])s2)n[nH]1 ZINC000282003047 394893693 /nfs/dbraw/zinc/89/36/93/394893693.db2.gz UMLXPYNZPCNHBW-ZCFIWIBFSA-N 0 1 282.329 2.466 20 5 CEBDMN COc1cc(C[N@H+]2CCC[C@@H]2CC(=O)[O-])ccc1[N+](=O)[O-] ZINC000568064719 395545409 /nfs/dbraw/zinc/54/54/09/395545409.db2.gz NZXXCTPCYPZUIR-LLVKDONJSA-N 0 1 294.307 2.043 20 5 CEBDMN CN(Cc1ccccc1)C1CN(c2cccnc2[N+](=O)[O-])C1 ZINC000588072489 400613925 /nfs/dbraw/zinc/61/39/25/400613925.db2.gz OUTXBVRLIYTGQY-UHFFFAOYSA-N 0 1 298.346 2.310 20 5 CEBDMN COCCN1CC[C@@H](Nc2cc(C)c([N+](=O)[O-])cc2F)C1 ZINC000360068665 155208414 /nfs/dbraw/zinc/20/84/14/155208414.db2.gz ATPAEWJPSRISJW-LLVKDONJSA-N 0 1 297.330 2.175 20 5 CEBDMN CC[C@H](C)N(C)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000195526115 153290291 /nfs/dbraw/zinc/29/02/91/153290291.db2.gz BHFSFYHRKKDLQS-QMMMGPOBSA-N 0 1 276.296 2.342 20 5 CEBDMN CC(C)[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])CC(=O)[O-] ZINC000263458504 154095354 /nfs/dbraw/zinc/09/53/54/154095354.db2.gz BGDUZKBMAWCBTG-FNORWQNLSA-N 0 1 278.308 2.403 20 5 CEBDMN CCc1[nH]nc(C(=O)N2CCCC23CCC3)c1[N+](=O)[O-] ZINC000366785508 156082588 /nfs/dbraw/zinc/08/25/88/156082588.db2.gz DJHDEYJNDUZVNY-UHFFFAOYSA-N 0 1 278.312 2.039 20 5 CEBDMN O=[N+]([O-])c1ccc(F)cc1CN1CC[C@H]2OCC[C@H]2C1 ZINC000366790002 156083500 /nfs/dbraw/zinc/08/35/00/156083500.db2.gz QMELGSBJNWQQIQ-IINYFYTJSA-N 0 1 280.299 2.345 20 5 CEBDMN CC(C)c1ccc(CN(C)Cc2nnc[nH]2)cc1[N+](=O)[O-] ZINC000179794678 165293387 /nfs/dbraw/zinc/29/33/87/165293387.db2.gz JRHUGXBONLTCEH-UHFFFAOYSA-N 0 1 289.339 2.468 20 5 CEBDMN CN(Cc1ccccc1[N+](=O)[O-])C[C@H](O)C(C)(C)C ZINC000284328110 196031015 /nfs/dbraw/zinc/03/10/15/196031015.db2.gz QEYYYICWUZGCMC-ZDUSSCGKSA-N 0 1 266.341 2.434 20 5 CEBDMN C[C@H](NC[C@H](O)C(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000222632620 414845103 /nfs/dbraw/zinc/84/51/03/414845103.db2.gz RTGOUSDGAUDLKD-XVKPBYJWSA-N 0 1 278.230 2.169 20 5 CEBDMN C[C@@H](NCc1ccc([N+](=O)[O-])cc1)c1cnn(C)c1 ZINC000044498905 175184352 /nfs/dbraw/zinc/18/43/52/175184352.db2.gz LISFQYSLGDJOLX-SNVBAGLBSA-N 0 1 260.297 2.179 20 5 CEBDMN CCOc1ccc([N+](=O)[O-])cc1CNCC1=CCOCC1 ZINC000449404748 260521662 /nfs/dbraw/zinc/52/16/62/260521662.db2.gz VZKXSVXOVJLCHE-UHFFFAOYSA-N 0 1 292.335 2.430 20 5 CEBDMN CCOc1ccc([N+](=O)[O-])cc1CN1CC[C@H](CO)[C@@H]1C ZINC000488785963 262394066 /nfs/dbraw/zinc/39/40/66/262394066.db2.gz PMQNPVKCQGUEOZ-NWDGAFQWSA-N 0 1 294.351 2.196 20 5 CEBDMN CS[C@H]1CC[C@H]1NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000425335453 264011560 /nfs/dbraw/zinc/01/15/60/264011560.db2.gz IBRJKGHXNUXALS-PWSUYJOCSA-N 0 1 292.364 2.455 20 5 CEBDMN CS[C@@H]1CC[C@H]1NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000425335506 264011897 /nfs/dbraw/zinc/01/18/97/264011897.db2.gz IBRJKGHXNUXALS-ZYHUDNBSSA-N 0 1 292.364 2.455 20 5 CEBDMN O=[N+]([O-])c1cc(Cl)cnc1N1CC[C@@H](N2CC=CC2)C1 ZINC000153843758 275033571 /nfs/dbraw/zinc/03/35/71/275033571.db2.gz RNWDLEZKSMADJP-LLVKDONJSA-N 0 1 294.742 2.094 20 5 CEBDMN CCC1(C)CCN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])CC1 ZINC000263754488 276215583 /nfs/dbraw/zinc/21/55/83/276215583.db2.gz XZPAZVPXQJNPAL-UHFFFAOYSA-N 0 1 280.328 2.279 20 5 CEBDMN CO[C@@H]1CN([C@H](C)c2ccccc2[N+](=O)[O-])C[C@@H]1OC ZINC000276853985 277300059 /nfs/dbraw/zinc/30/00/59/277300059.db2.gz JKDJISQZIWNGIL-HONMWMINSA-N 0 1 280.324 2.001 20 5 CEBDMN CCN(C)C(=O)[C@H](C)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000188468977 279027369 /nfs/dbraw/zinc/02/73/69/279027369.db2.gz NSFPWKVKBWZNIT-QWRGUYRKSA-N 0 1 279.340 2.112 20 5 CEBDMN C[C@@H]1[C@H](C)N(Cc2c(F)cccc2[N+](=O)[O-])CCN1C ZINC000356977094 279104151 /nfs/dbraw/zinc/10/41/51/279104151.db2.gz CFEJEHCMCDEFMD-MNOVXSKESA-N 0 1 281.331 2.258 20 5 CEBDMN Cc1[nH]nc(C(=O)N2CC3(CCC3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000432612818 281333397 /nfs/dbraw/zinc/33/33/97/281333397.db2.gz UDEDOOSEOTUUEB-QMMMGPOBSA-N 0 1 278.312 2.031 20 5 CEBDMN CC[C@@H](NCc1cnnn1CC)c1cccc([N+](=O)[O-])c1 ZINC000459390939 290134327 /nfs/dbraw/zinc/13/43/27/290134327.db2.gz UEUDIWCOLXTQHN-CQSZACIVSA-N 0 1 289.339 2.447 20 5 CEBDMN Cc1nc(N2CCN(C)C[C@@H]2C(C)C)ccc1[N+](=O)[O-] ZINC000301658095 293297374 /nfs/dbraw/zinc/29/73/74/293297374.db2.gz LQXTXUTWYRDRIR-CYBMUJFWSA-N 0 1 278.356 2.075 20 5 CEBDMN Cc1nc2ccc(NC(=O)c3ccc([N+](=O)[O-])cn3)cc2[nH]1 ZINC000531930431 298126357 /nfs/dbraw/zinc/12/63/57/298126357.db2.gz MDJUJQZLUIDNLT-UHFFFAOYSA-N 0 1 297.274 2.427 20 5 CEBDMN CCNC(=O)[C@@H](C)N[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000540822405 298268314 /nfs/dbraw/zinc/26/83/14/298268314.db2.gz HJHXRNLNYCPQMY-GHMZBOCLSA-N 0 1 279.340 2.078 20 5 CEBDMN CCN1C[C@H](N[C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1=O ZINC000562789485 298711414 /nfs/dbraw/zinc/71/14/14/298711414.db2.gz CWMUURJYPYLDSB-NWDGAFQWSA-N 0 1 291.351 2.175 20 5 CEBDMN CN(C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)[C@@H]1CC1(C)C ZINC000515161113 313066652 /nfs/dbraw/zinc/06/66/52/313066652.db2.gz FBJOUVHTPTWMGS-LLVKDONJSA-N 0 1 288.307 2.342 20 5 CEBDMN CCO[C@@H]1C[C@H]1NCc1ccc([N+](=O)[O-])cc1C ZINC000516905942 313097763 /nfs/dbraw/zinc/09/77/63/313097763.db2.gz UAUNJCAWHSOTLK-CHWSQXEVSA-N 0 1 250.298 2.170 20 5 CEBDMN C[C@@H]1C[C@@H](Nc2ncc([N+](=O)[O-])cc2F)CN1C1CC1 ZINC000574137694 314188899 /nfs/dbraw/zinc/18/88/99/314188899.db2.gz DLOJKROKOPTUMP-RKDXNWHRSA-N 0 1 280.303 2.166 20 5 CEBDMN O=[N+]([O-])c1ccccc1CN1CC[C@H](Nc2ncccn2)C1 ZINC000584232624 327071395 /nfs/dbraw/zinc/07/13/95/327071395.db2.gz FOQHKRDXWZLSDB-ZDUSSCGKSA-N 0 1 299.334 2.071 20 5 CEBDMN C[C@H]1CC[C@@H](C(=O)[O-])C[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000397492191 329357116 /nfs/dbraw/zinc/35/71/16/329357116.db2.gz MQVLUBIEGNQLGY-CMPLNLGQSA-N 0 1 278.308 2.280 20 5 CEBDMN C[C@@H]1CC[C@@H](C(=O)[O-])C[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000397492198 329357262 /nfs/dbraw/zinc/35/72/62/329357262.db2.gz MQVLUBIEGNQLGY-ZYHUDNBSSA-N 0 1 278.308 2.280 20 5 CEBDMN Cc1cccc([C@]2(F)CCN(C(=O)[C@H]3CC3[N+](=O)[O-])C2)c1 ZINC000367715470 524902097 /nfs/dbraw/zinc/90/20/97/524902097.db2.gz JZFCHOBPLHNGNR-YDHLFZDLSA-N 0 1 292.310 2.057 20 5 CEBDMN O=[N+]([O-])c1ccc2[nH]c(CNC[C@H]3CCC=CO3)nc2c1 ZINC000278745429 527379138 /nfs/dbraw/zinc/37/91/38/527379138.db2.gz ROSMYOBFZWCADE-LLVKDONJSA-N 0 1 288.307 2.253 20 5 CEBDMN O=C(OCC1CCSCC1)c1ccc([N+](=O)[O-])[nH]1 ZINC000747152640 575167664 /nfs/dbraw/zinc/16/76/64/575167664.db2.gz RRHFLRACZPYXLO-UHFFFAOYSA-N 0 1 270.310 2.223 20 5 CEBDMN C/C(=C\C[N@@H+](C)Cc1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC000825729549 601155937 /nfs/dbraw/zinc/15/59/37/601155937.db2.gz GMTUHNAPFMWUAC-JXMROGBWSA-N 0 1 264.281 2.058 20 5 CEBDMN C/C(=C\C[N@H+](C)Cc1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC000825729549 601155939 /nfs/dbraw/zinc/15/59/39/601155939.db2.gz GMTUHNAPFMWUAC-JXMROGBWSA-N 0 1 264.281 2.058 20 5 CEBDMN O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2)cs1 ZINC000120073946 622547395 /nfs/dbraw/zinc/54/73/95/622547395.db2.gz ANUOYLFLJNVBBR-UHFFFAOYSA-N 0 1 284.318 2.457 20 5 CEBDMN CC[N@H+]1CCN(c2ccc(C)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000804797073 622971175 /nfs/dbraw/zinc/97/11/75/622971175.db2.gz JXENSTYBBOCVIG-GFCCVEGCSA-N 0 1 263.341 2.434 20 5 CEBDMN CCN1CCN(c2ccc(C)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000804797073 622971177 /nfs/dbraw/zinc/97/11/77/622971177.db2.gz JXENSTYBBOCVIG-GFCCVEGCSA-N 0 1 263.341 2.434 20 5 CEBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[C@H]1CO ZINC000934015690 624166108 /nfs/dbraw/zinc/16/61/08/624166108.db2.gz GFMNWTKIJLEKQX-JQWIXIFHSA-N 0 1 250.298 2.031 20 5 CEBDMN C[C@@H]1CCN(Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000725780450 624777135 /nfs/dbraw/zinc/77/71/35/624777135.db2.gz YTQOFWUVKCQRSQ-SNVBAGLBSA-N 0 1 260.297 2.244 20 5 CEBDMN CCN1CCN(c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C[C@@H]1C ZINC000892970000 627908954 /nfs/dbraw/zinc/90/89/54/627908954.db2.gz BPKYEAHXLMHTOP-JTQLQIEISA-N 0 1 294.311 2.033 20 5 CEBDMN CCNc1ccc(Cl)cc1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000840414366 634646879 /nfs/dbraw/zinc/64/68/79/634646879.db2.gz NTJIGQRJBABFSE-LDYMZIIASA-N 0 1 283.715 2.376 20 5 CEBDMN O=C(O[C@H]1CCc2c1cccc2F)[C@@H]1CC1[N+](=O)[O-] ZINC000893672211 628910265 /nfs/dbraw/zinc/91/02/65/628910265.db2.gz ZDMQDPABSZYVEY-JLLWLGSASA-N 0 1 265.240 2.021 20 5 CEBDMN CO[C@H]1CC[C@@H]1N(C)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000902634938 634755358 /nfs/dbraw/zinc/75/53/58/634755358.db2.gz WPOXIOQMEUXONE-KBPBESRZSA-N 0 1 290.323 2.011 20 5 CEBDMN COc1cc(CN2CC[C@H](CF)C2)c([N+](=O)[O-])cc1OC ZINC000895573310 630254243 /nfs/dbraw/zinc/25/42/43/630254243.db2.gz KZGWLHCQFIPCFF-SNVBAGLBSA-N 0 1 298.314 2.403 20 5 CEBDMN O=[N+]([O-])c1cccc([N+](=O)[O-])c1N[C@H]1CCN(C2CC2)C1 ZINC000804378003 631673183 /nfs/dbraw/zinc/67/31/83/631673183.db2.gz XMLOXJLEDCCCHN-VIFPVBQESA-N 0 1 292.295 2.152 20 5 CEBDMN C[C@@H]1CC(=O)c2c1c(F)ccc2OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000841019859 631795891 /nfs/dbraw/zinc/79/58/91/631795891.db2.gz LPOBHOCIRIMKTM-ZXFLCMHBSA-N 0 1 293.250 2.086 20 5 CEBDMN CS[C@H]1CCN(Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000840112850 631865855 /nfs/dbraw/zinc/86/58/55/631865855.db2.gz BTSRWWPNYAABQA-LBPRGKRZSA-N 0 1 292.364 2.339 20 5 CEBDMN Cc1ccc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1Br ZINC000840252426 632520397 /nfs/dbraw/zinc/52/03/97/632520397.db2.gz BTHHMTLKAZFMQP-PSASIEDQSA-N 0 1 299.124 2.361 20 5 CEBDMN CCc1cc(CN[C@H](C)c2ccc(N)c([N+](=O)[O-])c2)[nH]n1 ZINC000815581243 633035125 /nfs/dbraw/zinc/03/51/25/633035125.db2.gz ZPDPZCLDBBSEJQ-SECBINFHSA-N 0 1 289.339 2.313 20 5 CEBDMN CCc1cc(CN[C@H](C)c2ccc(N)c([N+](=O)[O-])c2)n[nH]1 ZINC000815581243 633035131 /nfs/dbraw/zinc/03/51/31/633035131.db2.gz ZPDPZCLDBBSEJQ-SECBINFHSA-N 0 1 289.339 2.313 20 5 CEBDMN CN(C[C@@H]1CCCN1C)c1c(F)cc([N+](=O)[O-])cc1F ZINC000817131661 633590468 /nfs/dbraw/zinc/59/04/68/633590468.db2.gz JMAZCPYSSQGTDV-VIFPVBQESA-N 0 1 285.294 2.403 20 5 CEBDMN Cc1csc(CNC[C@H](O)c2cccc([N+](=O)[O-])c2)n1 ZINC000818948838 634013670 /nfs/dbraw/zinc/01/36/70/634013670.db2.gz FYIXMCSYXOLLEO-LBPRGKRZSA-N 0 1 293.348 2.183 20 5 CEBDMN NCc1cc(-c2ccc(N3CCCC3)c([N+](=O)[O-])c2)no1 ZINC000901398191 634089768 /nfs/dbraw/zinc/08/97/68/634089768.db2.gz LUKBRJGUXJGKJH-UHFFFAOYSA-N 0 1 288.307 2.309 20 5 CEBDMN Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+](C)C[C@H](C)C(=O)[O-] ZINC000901598763 634204771 /nfs/dbraw/zinc/20/47/71/634204771.db2.gz XXJDQOTUFXQVED-JTQLQIEISA-N 0 1 280.324 2.364 20 5 CEBDMN C[C@@H](C[N@@H+](C)Cc1ccc([N+](=O)[O-])c(Cl)c1)C(=O)[O-] ZINC000901598182 634205105 /nfs/dbraw/zinc/20/51/05/634205105.db2.gz UNWFOEHWEUPBDX-QMMMGPOBSA-N 0 1 286.715 2.401 20 5 CEBDMN C[C@H](NC(=O)[C@@H]1CCCCN1C)c1ccc([N+](=O)[O-])cc1 ZINC000823218582 635101975 /nfs/dbraw/zinc/10/19/75/635101975.db2.gz MEGZPIMNVCFBHS-FZMZJTMJSA-N 0 1 291.351 2.256 20 5 CEBDMN C[C@H]1CCN[C@H](c2nc(-c3ccc([N+](=O)[O-])o3)no2)C1 ZINC000823269689 635119215 /nfs/dbraw/zinc/11/92/15/635119215.db2.gz JVJQXRCALFRLPT-YUMQZZPRSA-N 0 1 278.268 2.298 20 5 CEBDMN C[C@@H]1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@H]1CC(=O)[O-] ZINC000903631056 635196292 /nfs/dbraw/zinc/19/62/92/635196292.db2.gz KJLCVEDYUIUZSQ-DGCLKSJQSA-N 0 1 292.335 2.180 20 5 CEBDMN Cc1cc(N[C@@H]2CC[N@@H+](C)[C@@H]2C)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000910355942 638025754 /nfs/dbraw/zinc/02/57/54/638025754.db2.gz PJULIGVWOGUKCJ-MWLCHTKSSA-N 0 1 293.323 2.106 20 5 CEBDMN CNc1ccc([N+](=O)[O-])cc1NC(=O)CN(C)C1CCC1 ZINC000911499714 638306044 /nfs/dbraw/zinc/30/60/44/638306044.db2.gz GONSTTOHKJQMEJ-UHFFFAOYSA-N 0 1 292.339 2.059 20 5 CEBDMN O=C(C[C@@H]1CCCCO1)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837571238 639288223 /nfs/dbraw/zinc/28/82/23/639288223.db2.gz RVUMSTRDABAQSP-LBPRGKRZSA-N 0 1 295.291 2.303 20 5 CEBDMN O=C(OCc1cc(O)ccc1[N+](=O)[O-])[C@H]1C[C@@H]1C1CC1 ZINC000837743249 639372153 /nfs/dbraw/zinc/37/21/53/639372153.db2.gz JNRNXFOSFAHJBE-NEPJUHHUSA-N 0 1 277.276 2.390 20 5 CEBDMN C[C@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccc(F)c(F)c1 ZINC000840672043 639521183 /nfs/dbraw/zinc/52/11/83/639521183.db2.gz CRUGIDPLFFJTDW-FMTFEUNWSA-N 0 1 271.219 2.234 20 5 CEBDMN O=C(O[C@@H]1CC[C@H]2CCC[C@H]2C1)[C@@H]1CC1[N+](=O)[O-] ZINC000842339477 640021077 /nfs/dbraw/zinc/02/10/77/640021077.db2.gz OLOXIIPWQSUNLI-IYKVGLELSA-N 0 1 253.298 2.164 20 5 CEBDMN O=C(OCc1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])[nH]1 ZINC000918498315 640965118 /nfs/dbraw/zinc/96/51/18/640965118.db2.gz ABPQFLVNRSXGOW-UHFFFAOYSA-N 0 1 291.219 2.188 20 5 CEBDMN O=C(OCCCOC1CCCC1)c1ccc([N+](=O)[O-])[nH]1 ZINC000918515589 640966978 /nfs/dbraw/zinc/96/69/78/640966978.db2.gz YELBAROHWIROPD-UHFFFAOYSA-N 0 1 282.296 2.429 20 5 CEBDMN CCN1C[C@@H](CN[C@@H](C)c2cccc([N+](=O)[O-])c2)OC1=O ZINC000846845418 641451097 /nfs/dbraw/zinc/45/10/97/641451097.db2.gz OAQGWGTVKITQBA-GXFFZTMASA-N 0 1 293.323 2.086 20 5 CEBDMN CC1(C)[C@@H](O)CCN1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000877542192 650777980 /nfs/dbraw/zinc/77/79/80/650777980.db2.gz PLNGDHKBFVKARN-LBPRGKRZSA-N 0 1 291.307 2.081 20 5 CEBDMN O=[N+]([O-])c1ccc(F)cc1CN[C@@H]1C[C@H](O)C12CCC2 ZINC000852584349 643483065 /nfs/dbraw/zinc/48/30/65/643483065.db2.gz LKUWPWLAZWINRP-OLZOCXBDSA-N 0 1 280.299 2.127 20 5 CEBDMN CC(C)C(N)=NOCc1ccc(F)cc1[N+](=O)[O-] ZINC000853684904 643863290 /nfs/dbraw/zinc/86/32/90/643863290.db2.gz MEMYJXVRTVVVDZ-UHFFFAOYSA-N 0 1 255.249 2.388 20 5 CEBDMN Cc1ccc([C@H]2CCCN2C(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC000839504694 644243962 /nfs/dbraw/zinc/24/39/62/644243962.db2.gz ABUFGGHSULYELF-MGPQQGTHSA-N 0 1 274.320 2.324 20 5 CEBDMN CCCN(C)Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000753851337 644285825 /nfs/dbraw/zinc/28/58/25/644285825.db2.gz WFTLDTJGFOWBAY-UHFFFAOYSA-N 0 1 276.296 2.487 20 5 CEBDMN CC(C)[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccccc1F ZINC000855532182 644379809 /nfs/dbraw/zinc/37/98/09/644379809.db2.gz WJACHKNQVCFNHL-RTXFEEFZSA-N 0 1 280.299 2.304 20 5 CEBDMN CC(C)CC[C@@H]1CCC[C@H]1NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839643520 644771858 /nfs/dbraw/zinc/77/18/58/644771858.db2.gz LONXCNURZCGTAM-UMSGYPCISA-N 0 1 268.357 2.373 20 5 CEBDMN C[C@H]1C[C@H](c2ccccc2F)N(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839689877 644774368 /nfs/dbraw/zinc/77/43/68/644774368.db2.gz BQRNIEJCDIAJFC-RMIQQSQVSA-N 0 1 292.310 2.400 20 5 CEBDMN C[C@@H]1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])[C@H]2CCCC[C@H]12 ZINC000839699309 644776931 /nfs/dbraw/zinc/77/69/31/644776931.db2.gz VQWHGSIYVRTXOW-NJMOYASZSA-N 0 1 266.341 2.079 20 5 CEBDMN C[C@@H]1CCc2c(F)cccc2[C@@H]1NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839701330 644777732 /nfs/dbraw/zinc/77/77/32/644777732.db2.gz OWNRGLJIMNBQID-KLPZLMTLSA-N 0 1 292.310 2.231 20 5 CEBDMN C[C@@]1(Cc2ccccc2)CCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839727586 644794161 /nfs/dbraw/zinc/79/41/61/644794161.db2.gz CBGHIUPCLHXHLD-FMKPAKJESA-N 0 1 288.347 2.275 20 5 CEBDMN COc1ccc2cc(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])ccc2c1 ZINC000839763608 644796499 /nfs/dbraw/zinc/79/64/99/644796499.db2.gz RPHQTOPNZPEVMT-ZIAGYGMSSA-N 0 1 286.287 2.452 20 5 CEBDMN O=C(N[C@H]1CC[C@@H](c2ccc(F)cc2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000839748659 644804367 /nfs/dbraw/zinc/80/43/67/644804367.db2.gz ULBDWPDELNXZNA-YXCITZCRSA-N 0 1 292.310 2.243 20 5 CEBDMN Cc1cc(F)ccc1[C@H]1CCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839790295 644819997 /nfs/dbraw/zinc/81/99/97/644819997.db2.gz RGYCDVLWKNGEER-MGPQQGTHSA-N 0 1 292.310 2.463 20 5 CEBDMN O=[N+]([O-])c1cccc([C@@H](O)CN2CC[C@@H](C(F)F)C2)c1 ZINC000761112974 645244192 /nfs/dbraw/zinc/24/41/92/645244192.db2.gz LUDHVVRRPVPBCJ-PWSUYJOCSA-N 0 1 286.278 2.215 20 5 CEBDMN O=C(OCC(Cl)(Cl)Cl)c1ccc([N+](=O)[O-])[nH]1 ZINC000763018504 645490155 /nfs/dbraw/zinc/49/01/55/645490155.db2.gz ODBWYXQDHRZHCU-UHFFFAOYSA-N 0 1 287.486 2.450 20 5 CEBDMN CCN(CCOC)Cn1nc(C)c2cc([N+](=O)[O-])ccc21 ZINC000764922429 645710751 /nfs/dbraw/zinc/71/07/51/645710751.db2.gz XJHZAAVSNRCQQZ-UHFFFAOYSA-N 0 1 292.339 2.179 20 5 CEBDMN Cc1nc(-c2ccccc2)[nH]c1C(=O)OCCC[N+](=O)[O-] ZINC000860916797 645945868 /nfs/dbraw/zinc/94/58/68/645945868.db2.gz XCNLBIOYVLRMLE-UHFFFAOYSA-N 0 1 289.291 2.209 20 5 CEBDMN CCO[C@H]1COCC[C@H]1NCc1cc(F)ccc1[N+](=O)[O-] ZINC000776485682 647065801 /nfs/dbraw/zinc/06/58/01/647065801.db2.gz UNTROEQIRSODBG-OCCSQVGLSA-N 0 1 298.314 2.018 20 5 CEBDMN C[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2Cl)CCN1C ZINC000782485698 647630058 /nfs/dbraw/zinc/63/00/58/647630058.db2.gz DMATWIGNLRXXRM-JTQLQIEISA-N 0 1 283.759 2.384 20 5 CEBDMN CCC[C@H](CC)NC(=O)[C@](C)(N)c1cccc([N+](=O)[O-])c1 ZINC000867943502 647996445 /nfs/dbraw/zinc/99/64/45/647996445.db2.gz XLGARVIFPWTFBI-SWLSCSKDSA-N 0 1 293.367 2.464 20 5 CEBDMN CC[C@H](C)CCNC(=O)[C@](C)(N)c1cccc([N+](=O)[O-])c1 ZINC000867984680 648010734 /nfs/dbraw/zinc/01/07/34/648010734.db2.gz QZOZLHNPSTWGBG-XHDPSFHLSA-N 0 1 293.367 2.321 20 5 CEBDMN CC(C)(NCc1ccc([N+](=O)[O-])cc1)C(=O)N1CCCC1 ZINC000793396421 648750653 /nfs/dbraw/zinc/75/06/53/648750653.db2.gz ZAYHSGNBYSYDMA-UHFFFAOYSA-N 0 1 291.351 2.085 20 5 CEBDMN C[C@H](C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl)N(C)C ZINC000873881492 649728164 /nfs/dbraw/zinc/72/81/64/649728164.db2.gz KJUIAHQSHXTUFL-SECBINFHSA-N 0 1 299.758 2.157 20 5 CEBDMN CN1CCN(C(=O)CCC(C)(C)[N+](=O)[O-])C[C@@H]1C(C)(C)C ZINC000880613524 651471858 /nfs/dbraw/zinc/47/18/58/651471858.db2.gz UNRKHDJNTKHAPE-GFCCVEGCSA-N 0 1 299.415 2.011 20 5 CEBDMN CCN1CC[C@@H]1CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000882478814 652091125 /nfs/dbraw/zinc/09/11/25/652091125.db2.gz FNXNWFVCFPLLQA-SNVBAGLBSA-N 0 1 297.742 2.072 20 5 CEBDMN CSCc1n[nH]c(CNc2ccc([N+](=O)[O-])s2)n1 ZINC000884695427 652968253 /nfs/dbraw/zinc/96/82/53/652968253.db2.gz YBLRIOROCRIGMJ-UHFFFAOYSA-N 0 1 285.354 2.250 20 5 CEBDMN CSCc1nnc(CNc2ccc([N+](=O)[O-])s2)[nH]1 ZINC000884695427 652968254 /nfs/dbraw/zinc/96/82/54/652968254.db2.gz YBLRIOROCRIGMJ-UHFFFAOYSA-N 0 1 285.354 2.250 20 5 CEBDMN C[C@@H]1CN(C)[C@@H](C)CN1c1cc([N+](=O)[O-])cc(Cl)n1 ZINC001164630043 719151536 /nfs/dbraw/zinc/15/15/36/719151536.db2.gz FULNUZQBLJDRIJ-DTWKUNHWSA-N 0 1 284.747 2.172 20 5 CEBDMN CC[N@@H+]1CC[C@H]1CNCc1ccc([N+](=O)[O-])cc1Cl ZINC000712593934 814754796 /nfs/dbraw/zinc/75/47/96/814754796.db2.gz GGSIFSBULKBZTK-LBPRGKRZSA-N 0 1 283.759 2.432 20 5 CEBDMN C[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccc(Cl)c(F)c1 ZINC001117998435 814974987 /nfs/dbraw/zinc/97/49/87/814974987.db2.gz YYHYFSUEDKGQNN-AZTOOPQRSA-N 0 1 286.690 2.322 20 5 CEBDMN CC[N@H+]1CC[C@H](Oc2ncc([N+](=O)[O-])cc2Cl)C1 ZINC001226256695 805560529 /nfs/dbraw/zinc/56/05/29/805560529.db2.gz WTDHGNSYMFHFBD-VIFPVBQESA-N 0 1 271.704 2.116 20 5 CEBDMN CCN1CC[C@H](Oc2ncc([N+](=O)[O-])cc2Cl)C1 ZINC001226256695 805560533 /nfs/dbraw/zinc/56/05/33/805560533.db2.gz WTDHGNSYMFHFBD-VIFPVBQESA-N 0 1 271.704 2.116 20 5 CEBDMN C[C@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)C1(C)CC1 ZINC001120804878 807323141 /nfs/dbraw/zinc/32/31/41/807323141.db2.gz ALSBQKPPRMXICH-QMMMGPOBSA-N 0 1 264.281 2.219 20 5 CEBDMN C[C@@H]1COC[C@@H]1NCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000699792850 807846029 /nfs/dbraw/zinc/84/60/29/807846029.db2.gz WSJYURYHHMQNBA-KCJUWKMLSA-N 0 1 270.716 2.373 20 5 CEBDMN CC(C)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001133513475 813096544 /nfs/dbraw/zinc/09/65/44/813096544.db2.gz ZVWSEBLBOQDMOK-HZSPNIEDSA-N 0 1 276.336 2.035 20 5 CEBDMN CC[C@@](N)(CO)Nc1ncnc2cc3ccccc3cc21 ZINC001170859526 813545349 /nfs/dbraw/zinc/54/53/49/813545349.db2.gz SEFBAUDDFXCOGU-INIZCTEOSA-N 0 1 282.347 2.252 20 5 CEBDMN Cc1ccc(C[N@H+]2CCC[C@]2(C)C(=O)[O-])cc1[N+](=O)[O-] ZINC000714013630 814881957 /nfs/dbraw/zinc/88/19/57/814881957.db2.gz BGWOSIVXPCXUKX-CQSZACIVSA-N 0 1 278.308 2.342 20 5 CEBDMN Cc1ccc(CN2CCCC[C@@H]2CO)cc1[N+](=O)[O-] ZINC000714022164 814882275 /nfs/dbraw/zinc/88/22/75/814882275.db2.gz SHWMCRFMPBGHQG-CYBMUJFWSA-N 0 1 264.325 2.250 20 5 CEBDMN Cc1ccc(OC(=O)[C@@H]2CC2[N+](=O)[O-])c2c1[C@@H](C)CC2=O ZINC001124696094 815626779 /nfs/dbraw/zinc/62/67/79/815626779.db2.gz YQEAMRYJJZYRLO-IVZWLZJFSA-N 0 1 289.287 2.256 20 5 CEBDMN CC(=O)CN(C)[C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173222754 815628014 /nfs/dbraw/zinc/62/80/14/815628014.db2.gz VHDKCIGUTHQNLB-SNVBAGLBSA-N 0 1 250.298 2.047 20 5 CEBDMN O=C([O-])CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000037593548 361908305 /nfs/dbraw/zinc/90/83/05/361908305.db2.gz QWBPLWWBPGFHCK-UHFFFAOYSA-N 0 1 264.281 2.034 20 5 CEBDMN O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCc1nnc[nH]1 ZINC000037920157 361964817 /nfs/dbraw/zinc/96/48/17/361964817.db2.gz APUMWZVTGZBOIX-UHFFFAOYSA-N 0 1 287.201 2.344 20 5 CEBDMN C[C@@H](NCc1cnn(C)c1)c1ccc([N+](=O)[O-])cc1 ZINC000041159061 362022447 /nfs/dbraw/zinc/02/24/47/362022447.db2.gz ZOGJJSHFBAJDQH-SNVBAGLBSA-N 0 1 260.297 2.179 20 5 CEBDMN Cc1c(C[N@H+](C)C[C@@H](C)C(=O)[O-])cccc1[N+](=O)[O-] ZINC000042707473 362113267 /nfs/dbraw/zinc/11/32/67/362113267.db2.gz KWACKDURGARLCY-SECBINFHSA-N 0 1 266.297 2.056 20 5 CEBDMN CC[C@@H](NCc1ccc([N+](=O)[O-])cc1F)[C@H](O)C(F)F ZINC000449420747 282228791 /nfs/dbraw/zinc/22/87/91/282228791.db2.gz GLDNQNIVODONNC-MNOVXSKESA-N 0 1 292.257 2.228 20 5 CEBDMN COc1ccc([N+](=O)[O-])cc1CN[C@@H]1C[C@@H](C)O[C@H]1C ZINC000294988270 199286915 /nfs/dbraw/zinc/28/69/15/199286915.db2.gz HKOFYRQPPSCSED-GBIKHYSHSA-N 0 1 280.324 2.259 20 5 CEBDMN O=c1cc(C2CC2)[nH]n1-c1ccc([N+](=O)[O-])cc1F ZINC000601943563 346935811 /nfs/dbraw/zinc/93/58/11/346935811.db2.gz RKILHOPHQSMELO-UHFFFAOYSA-N 0 1 263.228 2.237 20 5 CEBDMN CNC(=O)[C@H](CC(C)C)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000037160759 343425356 /nfs/dbraw/zinc/42/53/56/343425356.db2.gz IYQRGCPMFSOHSJ-FZMZJTMJSA-N 0 1 293.367 2.406 20 5 CEBDMN O=C([O-])C12CCC(CC1)[N@H+]2CCc1ccc([N+](=O)[O-])cc1 ZINC000601962621 346944578 /nfs/dbraw/zinc/94/45/78/346944578.db2.gz GWBPNQQESJPGHC-UHFFFAOYSA-N 0 1 290.319 2.219 20 5 CEBDMN O=C([O-])C12CCC(CC1)[N@H+]2Cc1csc([N+](=O)[O-])c1 ZINC000601964763 346945273 /nfs/dbraw/zinc/94/52/73/346945273.db2.gz UALQPUJVGOOANJ-UHFFFAOYSA-N 0 1 282.321 2.238 20 5 CEBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@H]1Cc1cccc(F)c1 ZINC000046626113 343501729 /nfs/dbraw/zinc/50/17/29/343501729.db2.gz UPILQWBJLDJXOF-MJBXVCDLSA-N 0 1 292.310 2.024 20 5 CEBDMN O=[N+]([O-])c1ccc(CN2C[C@@H]3COC[C@@H]3C2)c(Cl)c1 ZINC000601974345 346947718 /nfs/dbraw/zinc/94/77/18/346947718.db2.gz ILLKWUMPLLNQQO-PHIMTYICSA-N 0 1 282.727 2.326 20 5 CEBDMN Cc1ccc(N2CCC(c3nc[nH]n3)CC2)c([N+](=O)[O-])c1 ZINC000081036608 344036738 /nfs/dbraw/zinc/03/67/38/344036738.db2.gz XNYZBDLJVDUDSB-UHFFFAOYSA-N 0 1 287.323 2.405 20 5 CEBDMN C[C@@H](c1ccccc1[N+](=O)[O-])N1CCN(C2CC2)CC1 ZINC000075673794 343861588 /nfs/dbraw/zinc/86/15/88/343861588.db2.gz LJYIHFOYZCLUHC-LBPRGKRZSA-N 0 1 275.352 2.436 20 5 CEBDMN CN1CCN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CC1 ZINC000090065081 344135170 /nfs/dbraw/zinc/13/51/70/344135170.db2.gz NCVPKCHUCGVYQC-UHFFFAOYSA-N 0 1 298.346 2.409 20 5 CEBDMN C[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)CC[N@H+]1C ZINC000158189463 344450087 /nfs/dbraw/zinc/45/00/87/344450087.db2.gz RLFKXWOVRMVXLP-KOLCDFICSA-N 0 1 293.323 2.188 20 5 CEBDMN COc1ccc(CN2CCCC[C@@H]2CCO)cc1[N+](=O)[O-] ZINC000050104830 362400808 /nfs/dbraw/zinc/40/08/08/362400808.db2.gz ZKMIAIUZLAVIGA-CYBMUJFWSA-N 0 1 294.351 2.340 20 5 CEBDMN Cc1[nH]ncc1CNC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000235061661 344589097 /nfs/dbraw/zinc/58/90/97/344589097.db2.gz NIVMXJBKWIGUOP-SECBINFHSA-N 0 1 288.307 2.046 20 5 CEBDMN C[C@H](CO)NCc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602524522 347066352 /nfs/dbraw/zinc/06/63/52/347066352.db2.gz LAWSSDGGNMJYJO-SSDOTTSWSA-N 0 1 278.230 2.084 20 5 CEBDMN O=[N+]([O-])c1ccc([O-])cc1C[N@@H+]1CC[C@@H](C(F)F)C1 ZINC000590169360 345119276 /nfs/dbraw/zinc/11/92/76/345119276.db2.gz XQGRWSLLNHLIRW-MRVPVSSYSA-N 0 1 272.251 2.387 20 5 CEBDMN O=[N+]([O-])c1ccc([O-])cc1C[N@H+]1CC[C@@H](C(F)F)C1 ZINC000590169360 345119279 /nfs/dbraw/zinc/11/92/79/345119279.db2.gz XQGRWSLLNHLIRW-MRVPVSSYSA-N 0 1 272.251 2.387 20 5 CEBDMN CCN1CCC[C@@H](Nc2ncc([N+](=O)[O-])cc2F)C1 ZINC000591141918 345224375 /nfs/dbraw/zinc/22/43/75/345224375.db2.gz QHQIRTBWJRWBIN-SECBINFHSA-N 0 1 268.292 2.025 20 5 CEBDMN COc1cccc(-c2nc([C@H]3CCCN3)no2)c1[N+](=O)[O-] ZINC000592357098 345344548 /nfs/dbraw/zinc/34/45/48/345344548.db2.gz TYVCLCWKCAWIRA-SECBINFHSA-N 0 1 290.279 2.078 20 5 CEBDMN O=[N+]([O-])c1cccc(CN2CCC(C3(O)CC3)CC2)c1 ZINC000593051733 345429083 /nfs/dbraw/zinc/42/90/83/345429083.db2.gz VJFZYYDAUBXYNU-UHFFFAOYSA-N 0 1 276.336 2.332 20 5 CEBDMN CCCN(C(=O)c1csc([N+](=O)[O-])c1)[C@@H]1CCN(C)C1 ZINC000592832145 345401758 /nfs/dbraw/zinc/40/17/58/345401758.db2.gz RNSRQDJVDXOBHB-LLVKDONJSA-N 0 1 297.380 2.213 20 5 CEBDMN O=C(N[C@H](C1CCC1)C1CCCC1)c1n[nH]cc1[N+](=O)[O-] ZINC000592830819 345401866 /nfs/dbraw/zinc/40/18/66/345401866.db2.gz GHDLRBVSBPEVAW-LBPRGKRZSA-N 0 1 292.339 2.407 20 5 CEBDMN O=[N+]([O-])c1cc(F)ccc1CN1CCN(C2CC2)CC1 ZINC000595293484 345756276 /nfs/dbraw/zinc/75/62/76/345756276.db2.gz ADKYUXPBIFNFFM-UHFFFAOYSA-N 0 1 279.315 2.014 20 5 CEBDMN CC[C@@H]1C[C@H](NCc2cc([N+](=O)[O-])ccc2OC)CO1 ZINC000594920959 345702473 /nfs/dbraw/zinc/70/24/73/345702473.db2.gz NHOHMCDOKAQAHL-WCQYABFASA-N 0 1 280.324 2.261 20 5 CEBDMN Cc1ncc(CNCc2cccc([N+](=O)[O-])c2C)n1C ZINC000594940909 345710723 /nfs/dbraw/zinc/71/07/23/345710723.db2.gz VKOMFYYYOIJUOW-UHFFFAOYSA-N 0 1 274.324 2.235 20 5 CEBDMN COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@@H]1CCOC1 ZINC000595036133 345732320 /nfs/dbraw/zinc/73/23/20/345732320.db2.gz PNEKHHGCBDOFIV-VHSXEESVSA-N 0 1 266.297 2.043 20 5 CEBDMN COC[C@@H]1CCN(Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595326368 345762316 /nfs/dbraw/zinc/76/23/16/345762316.db2.gz BQYPISFXGATLNN-SNVBAGLBSA-N 0 1 268.288 2.202 20 5 CEBDMN CN(Cc1ccc(F)cc1[N+](=O)[O-])C[C@H]1CCC[C@H]1O ZINC000595387223 345772599 /nfs/dbraw/zinc/77/25/99/345772599.db2.gz BYGIPVNAABKTJI-BXUZGUMPSA-N 0 1 282.315 2.327 20 5 CEBDMN C[C@@]1(O)CCCN(Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595470483 345791107 /nfs/dbraw/zinc/79/11/07/345791107.db2.gz WAJMCXAGMSDQRD-CQSZACIVSA-N 0 1 282.315 2.471 20 5 CEBDMN COc1ccc(CN2C[C@H](C)[C@](C)(CO)C2)cc1[N+](=O)[O-] ZINC000595876398 345903673 /nfs/dbraw/zinc/90/36/73/345903673.db2.gz SVCAGTNYQYYQAM-NHYWBVRUSA-N 0 1 294.351 2.054 20 5 CEBDMN CC(=O)c1cc(N[C@@H]2CCN(C3CC3)C2)ccc1[N+](=O)[O-] ZINC000596092959 345937915 /nfs/dbraw/zinc/93/79/15/345937915.db2.gz YKHSRRVELLWZIU-GFCCVEGCSA-N 0 1 289.335 2.446 20 5 CEBDMN COc1ccc([N+](=O)[O-])cc1CN[C@H]1CO[C@H](C2CC2)C1 ZINC000597055654 346121552 /nfs/dbraw/zinc/12/15/52/346121552.db2.gz NHQRIYHVSZWCIG-DOMZBBRYSA-N 0 1 292.335 2.261 20 5 CEBDMN Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H]2COC[C@@H]2C1 ZINC000597231103 346155991 /nfs/dbraw/zinc/15/59/91/346155991.db2.gz NNYLBEHMMNYRHU-KBPBESRZSA-N 0 1 276.336 2.372 20 5 CEBDMN C[C@@H]1CC(CNC(=O)c2n[nH]cc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000597980644 346262733 /nfs/dbraw/zinc/26/27/33/346262733.db2.gz UYBJNNWTAMOALF-IUCAKERBSA-N 0 1 280.328 2.120 20 5 CEBDMN COc1cc(CN2CC[C@H](C)[C@H](CO)C2)ccc1[N+](=O)[O-] ZINC000598649146 346392882 /nfs/dbraw/zinc/39/28/82/346392882.db2.gz WPUSZKJMHNKURK-AAEUAGOBSA-N 0 1 294.351 2.054 20 5 CEBDMN C/C=C/CNCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000599006364 346445532 /nfs/dbraw/zinc/44/55/32/346445532.db2.gz VZCOLWQNSDFWEH-NSCUHMNNSA-N 0 1 264.281 2.032 20 5 CEBDMN O=[N+]([O-])c1ccc(CN[C@@H]2CO[C@@H](C3CC3)C2)c(F)c1 ZINC000599010638 346446169 /nfs/dbraw/zinc/44/61/69/346446169.db2.gz SUKNQZWYEAIGHQ-SMDDNHRTSA-N 0 1 280.299 2.391 20 5 CEBDMN C[C@@]1(NCc2ccc([N+](=O)[O-])cc2F)CCOC1 ZINC000336793134 365814705 /nfs/dbraw/zinc/81/47/05/365814705.db2.gz VOIGCNVJWAYCBU-GFCCVEGCSA-N 0 1 254.261 2.003 20 5 CEBDMN C[C@H](O)CN(Cc1nc2cc([N+](=O)[O-])ccc2o1)C1CC1 ZINC000602711406 347165061 /nfs/dbraw/zinc/16/50/61/347165061.db2.gz QAPCTOAXBPRBLZ-VIFPVBQESA-N 0 1 291.307 2.081 20 5 CEBDMN CCN(CCn1c(C)ncc1[N+](=O)[O-])CCC(F)(F)F ZINC000602773026 347191978 /nfs/dbraw/zinc/19/19/78/347191978.db2.gz YKOBKGWGZMPFOL-UHFFFAOYSA-N 0 1 294.277 2.374 20 5 CEBDMN O=[N+]([O-])c1cccc2c1ccnc2N1CCN(C2CC2)CC1 ZINC000450290617 282543903 /nfs/dbraw/zinc/54/39/03/282543903.db2.gz WUWYVBJVEHQBEG-UHFFFAOYSA-N 0 1 298.346 2.427 20 5 CEBDMN CCCN(CC(F)(F)F)C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000609170419 347629752 /nfs/dbraw/zinc/62/97/52/347629752.db2.gz SDGUQSZQCLCCQK-UHFFFAOYSA-N 0 1 294.233 2.041 20 5 CEBDMN CC(C)CN1CCN(c2ccc([N+](=O)[O-])s2)CC1 ZINC000610732835 347707562 /nfs/dbraw/zinc/70/75/62/347707562.db2.gz BZVCYRLOYONWGS-UHFFFAOYSA-N 0 1 269.370 2.434 20 5 CEBDMN COc1ccc(OCCN2C[C@H]3CCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000610762786 347712788 /nfs/dbraw/zinc/71/27/88/347712788.db2.gz VIWXDRFRNXVMGB-YPMHNXCESA-N 0 1 292.335 2.467 20 5 CEBDMN C[C@H]1COCCCN1CCOc1ccccc1[N+](=O)[O-] ZINC000610990912 347727860 /nfs/dbraw/zinc/72/78/60/347727860.db2.gz UOKXSYZRTKXVLX-LBPRGKRZSA-N 0 1 280.324 2.084 20 5 CEBDMN O=[N+]([O-])c1cccc(F)c1CN1CCc2cn[nH]c2C1 ZINC000611008612 347732194 /nfs/dbraw/zinc/73/21/94/347732194.db2.gz DKGOKOKXDFHENI-UHFFFAOYSA-N 0 1 276.271 2.015 20 5 CEBDMN CC[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])C1CCCCC1 ZINC000611202843 347750900 /nfs/dbraw/zinc/75/09/00/347750900.db2.gz SBQORIHSQNLBGN-JTQLQIEISA-N 0 1 280.328 2.407 20 5 CEBDMN CCC[C@H](C)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000611551561 347793736 /nfs/dbraw/zinc/79/37/36/347793736.db2.gz KRQIVMIHMQKZEE-QMMMGPOBSA-N 0 1 252.270 2.219 20 5 CEBDMN Cc1cc(C)c([N+](=O)[O-])c(N2CCN(CC3CC3)CC2)n1 ZINC000611616904 347799334 /nfs/dbraw/zinc/79/93/34/347799334.db2.gz WVGPPDVCDFGTCM-UHFFFAOYSA-N 0 1 290.367 2.139 20 5 CEBDMN CC(C)c1[nH]nc(C(=O)N2CC[C@@H](C)[C@@H](F)C2)c1[N+](=O)[O-] ZINC000611505552 347787067 /nfs/dbraw/zinc/78/70/67/347787067.db2.gz CQIAEIIWOFURIZ-BDAKNGLRSA-N 0 1 298.318 2.261 20 5 CEBDMN C[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)[C@H]1C(=O)[O-] ZINC000336849459 365926055 /nfs/dbraw/zinc/92/60/55/365926055.db2.gz ROAPGAZSDROJFK-TVQRCGJNSA-N 0 1 296.298 2.419 20 5 CEBDMN CCOCC(C)(C)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000339361745 215121474 /nfs/dbraw/zinc/12/14/74/215121474.db2.gz LAYKPZDEKCNOHY-UHFFFAOYSA-N 0 1 292.339 2.376 20 5 CEBDMN C[C@@H](C[N@@H+](C)[C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)[O-] ZINC000086807963 179339191 /nfs/dbraw/zinc/33/91/91/179339191.db2.gz SEVBJURILQFVLQ-UWVGGRQHSA-N 0 1 266.297 2.308 20 5 CEBDMN O=[N+]([O-])c1ccccc1/C=C\CNC[C@@H](O)C(F)(F)F ZINC000616487334 348510078 /nfs/dbraw/zinc/51/00/78/348510078.db2.gz YFZUOFZQBLJDSD-USEMIUTHSA-N 0 1 290.241 2.121 20 5 CEBDMN Cn1cc2c(n1)CCC[C@@H]2NCc1ccc([N+](=O)[O-])cc1 ZINC000280020264 282688405 /nfs/dbraw/zinc/68/84/05/282688405.db2.gz HJVMUZFVQSTPSK-AWEZNQCLSA-N 0 1 286.335 2.496 20 5 CEBDMN CCc1[nH]nc(C(=O)N(CC)CC(C)(C)C)c1[N+](=O)[O-] ZINC000292032754 198140625 /nfs/dbraw/zinc/14/06/25/198140625.db2.gz CSPNJHVHDYADBB-UHFFFAOYSA-N 0 1 282.344 2.389 20 5 CEBDMN CC[C@@H]1CCCC[C@H]1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000135837969 187853312 /nfs/dbraw/zinc/85/33/12/187853312.db2.gz OQNGXQGCCYGVNT-RKDXNWHRSA-N 0 1 266.301 2.017 20 5 CEBDMN O=[N+]([O-])c1cccc(F)c1CN[C@H]1CCO[C@@H]1C1CC1 ZINC000494459059 290974614 /nfs/dbraw/zinc/97/46/14/290974614.db2.gz TVYSZQIPLMHUJJ-GXTWGEPZSA-N 0 1 280.299 2.391 20 5 CEBDMN Cc1cc(C)cc([C@@H](C)NC(=O)c2n[nH]cc2[N+](=O)[O-])c1 ZINC000153441912 188082889 /nfs/dbraw/zinc/08/28/89/188082889.db2.gz IUILSVIXBBKNOO-SNVBAGLBSA-N 0 1 288.307 2.426 20 5 CEBDMN CCC[C@H](C)C(=O)NCCNCc1csc([N+](=O)[O-])c1 ZINC000292650060 198362495 /nfs/dbraw/zinc/36/24/95/198362495.db2.gz KYCMYQNKRVEVAL-JTQLQIEISA-N 0 1 299.396 2.298 20 5 CEBDMN COCCN(C/C=C/c1ccccc1[N+](=O)[O-])CCOC ZINC000158189767 188362386 /nfs/dbraw/zinc/36/23/86/188362386.db2.gz DLJMXDFMKZBOSO-FNORWQNLSA-N 0 1 294.351 2.203 20 5 CEBDMN COc1ccc([N+](=O)[O-])cc1CN1CC[C@H](OC)[C@@H](C)C1 ZINC000451543679 283028258 /nfs/dbraw/zinc/02/82/58/283028258.db2.gz LPSHXXLKONFYIB-FZMZJTMJSA-N 0 1 294.351 2.460 20 5 CEBDMN CC1(C)[C@H](O)C[C@@H]1NCc1ccc([N+](=O)[O-])cc1Cl ZINC000133539959 366234253 /nfs/dbraw/zinc/23/42/53/366234253.db2.gz IZWWGEBWNIBCSO-NWDGAFQWSA-N 0 1 284.743 2.497 20 5 CEBDMN Cc1ccc([C@@H](C)N[C@@H](C)C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000134892606 366369502 /nfs/dbraw/zinc/36/95/02/366369502.db2.gz VLQUWNQIFWKINC-MNOVXSKESA-N 0 1 291.351 2.221 20 5 CEBDMN CCc1nc(CNc2ccc([N+](=O)[O-])cc2C(C)=O)n[nH]1 ZINC000294927743 199254698 /nfs/dbraw/zinc/25/46/98/199254698.db2.gz KKGHOYCGJXXDJZ-UHFFFAOYSA-N 0 1 289.295 2.090 20 5 CEBDMN CC(C)N1CC[C@@H](N[C@H](C)c2cccc([N+](=O)[O-])c2)C1=O ZINC000081181403 363704875 /nfs/dbraw/zinc/70/48/75/363704875.db2.gz ZGQCPAVBEMFPRM-BXUZGUMPSA-N 0 1 291.351 2.255 20 5 CEBDMN C[C@H](c1cnn(C)c1)N(C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339075538 366642670 /nfs/dbraw/zinc/64/26/70/366642670.db2.gz KBQVNTCRBWGEOU-SNVBAGLBSA-N 0 1 290.323 2.227 20 5 CEBDMN COCC1=CCN(Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000339091576 366649586 /nfs/dbraw/zinc/64/95/86/366649586.db2.gz WCXXDBPDMRDFAV-UHFFFAOYSA-N 0 1 278.308 2.079 20 5 CEBDMN CC[C@H](C(=O)Nc1cc([N+](=O)[O-])c(C)cc1C)N(C)C ZINC000298248494 200371094 /nfs/dbraw/zinc/37/10/94/200371094.db2.gz MRBQOHIOEGFQKE-GFCCVEGCSA-N 0 1 279.340 2.490 20 5 CEBDMN CC[C@H](N[C@H](C)c1cccc([N+](=O)[O-])c1C)C(=O)NC ZINC000453400144 283554609 /nfs/dbraw/zinc/55/46/09/283554609.db2.gz KTTMXZVSFLCRSA-PWSUYJOCSA-N 0 1 279.340 2.078 20 5 CEBDMN O=[N+]([O-])c1ccc(CN2CCN(C3CC3)CC2)cc1F ZINC000094774532 364295908 /nfs/dbraw/zinc/29/59/08/364295908.db2.gz PMSHLNFGKJVVBM-UHFFFAOYSA-N 0 1 279.315 2.014 20 5 CEBDMN CCN(C)C(=O)[C@@H](C)NC/C=C\c1ccccc1[N+](=O)[O-] ZINC000353189748 219949003 /nfs/dbraw/zinc/94/90/03/219949003.db2.gz GOIGPHABQZZHAT-ZVTBTPLYSA-N 0 1 291.351 2.064 20 5 CEBDMN O=[N+]([O-])c1cccc(F)c1CN1CCN(CC2CC2)CC1 ZINC000103469196 364657290 /nfs/dbraw/zinc/65/72/90/364657290.db2.gz DVAGXYXCLMXLIZ-UHFFFAOYSA-N 0 1 293.342 2.262 20 5 CEBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@]2(CC=CCC2)C1 ZINC000377668456 296073351 /nfs/dbraw/zinc/07/33/51/296073351.db2.gz MYGLLXPFBGHWHJ-YRGRVCCFSA-N 0 1 264.325 2.001 20 5 CEBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@@H]1c1ccc(Cl)cc1 ZINC000363419972 296073471 /nfs/dbraw/zinc/07/34/71/296073471.db2.gz RXHHMAZHYNMMHW-IJLUTSLNSA-N 0 1 280.711 2.279 20 5 CEBDMN O=C(N[C@H]1C[C@H]1C1CCCCC1)c1n[nH]cc1[N+](=O)[O-] ZINC000119619749 365300256 /nfs/dbraw/zinc/30/02/56/365300256.db2.gz GOLKXWFZZXPUDX-UWVGGRQHSA-N 0 1 278.312 2.017 20 5 CEBDMN CCN(CC)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000342861732 367576101 /nfs/dbraw/zinc/57/61/01/367576101.db2.gz WNRQRXWUAOLMLA-SNVBAGLBSA-N 0 1 265.313 2.264 20 5 CEBDMN Cc1sc(C(=O)N[C@@H]2CCCN(C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000343542536 367873326 /nfs/dbraw/zinc/87/33/26/367873326.db2.gz YHDQBHBYSWWNCI-PSASIEDQSA-N 0 1 297.380 2.177 20 5 CEBDMN O=C(Nc1cncc(F)c1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000343792243 368005675 /nfs/dbraw/zinc/00/56/75/368005675.db2.gz GARGFDZWRSRZSD-UHFFFAOYSA-N 0 1 277.211 2.087 20 5 CEBDMN Cc1nc([C@H](C)Nc2nc(C)cc(C)c2[N+](=O)[O-])n[nH]1 ZINC000343931388 368078099 /nfs/dbraw/zinc/07/80/99/368078099.db2.gz BKXADOXDYQRJAD-QMMMGPOBSA-N 0 1 276.300 2.206 20 5 CEBDMN Cc1ccc([C@@H](C)NCc2cncn2C)cc1[N+](=O)[O-] ZINC000175057267 368094245 /nfs/dbraw/zinc/09/42/45/368094245.db2.gz FKCSURBOTSTKFW-LLVKDONJSA-N 0 1 274.324 2.488 20 5 CEBDMN CCc1[nH]nc(C(=O)N2CCC(C)(C)CC2)c1[N+](=O)[O-] ZINC000346356399 368648541 /nfs/dbraw/zinc/64/85/41/368648541.db2.gz YDCLCFFIJGVFJP-UHFFFAOYSA-N 0 1 280.328 2.143 20 5 CEBDMN CCc1[nH]nc(C(=O)N2CCC[C@@H]3CCC[C@H]32)c1[N+](=O)[O-] ZINC000185740402 368852228 /nfs/dbraw/zinc/85/22/28/368852228.db2.gz UXIUWYFJYZDWOI-GXSJLCMTSA-N 0 1 292.339 2.285 20 5 CEBDMN Cc1ccc([N+](=O)[O-])cc1C(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000186713583 369024989 /nfs/dbraw/zinc/02/49/89/369024989.db2.gz HQUHUIPNEDKWPD-UHFFFAOYSA-N 0 1 291.351 2.069 20 5 CEBDMN CCc1[nH]nc(C(=O)N([C@H](C)C2CC2)C2CC2)c1[N+](=O)[O-] ZINC000188300219 369333637 /nfs/dbraw/zinc/33/36/37/369333637.db2.gz VDFVPQUGFKVDDI-MRVPVSSYSA-N 0 1 292.339 2.283 20 5 CEBDMN CO[C@H](C)CNCc1ccc([N+](=O)[O-])cc1Cl ZINC000191221592 369691713 /nfs/dbraw/zinc/69/17/13/369691713.db2.gz FYVVXHUEGRXNDK-MRVPVSSYSA-N 0 1 258.705 2.373 20 5 CEBDMN C[C@@]1(O)CCCN(Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000230348873 370454039 /nfs/dbraw/zinc/45/40/39/370454039.db2.gz UPWRWDIIHCAPFM-CQSZACIVSA-N 0 1 282.315 2.471 20 5 CEBDMN O=[N+]([O-])c1ccc(CNCc2cncc(F)c2)cc1 ZINC000230938961 370471402 /nfs/dbraw/zinc/47/14/02/370471402.db2.gz DAPLITCQMUESCF-UHFFFAOYSA-N 0 1 261.256 2.419 20 5 CEBDMN CCN(CCc1cccs1)Cc1c([N+](=O)[O-])ncn1C ZINC000355545098 370595174 /nfs/dbraw/zinc/59/51/74/370595174.db2.gz OANHVNJBOQIRNT-UHFFFAOYSA-N 0 1 294.380 2.454 20 5 CEBDMN CCN(Cc1c([N+](=O)[O-])ncn1C)[C@@H](C)C(C)C ZINC000355545715 370595432 /nfs/dbraw/zinc/59/54/32/370595432.db2.gz OQVZXWPTSDUZFG-JTQLQIEISA-N 0 1 254.334 2.195 20 5 CEBDMN CCOc1ccc([N+](=O)[O-])cc1CN[C@@H]1CCCOC1 ZINC000236858375 370641650 /nfs/dbraw/zinc/64/16/50/370641650.db2.gz LLYNBXXWHLRUFJ-GFCCVEGCSA-N 0 1 280.324 2.262 20 5 CEBDMN C[C@@H]1CN(CCn2ccc([N+](=O)[O-])n2)[C@H]1c1ccccc1 ZINC000248344030 371177284 /nfs/dbraw/zinc/17/72/84/371177284.db2.gz LBFRXXLXZXVGDH-IUODEOHRSA-N 0 1 286.335 2.484 20 5 CEBDMN COC(=O)[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000249115903 371296687 /nfs/dbraw/zinc/29/66/87/371296687.db2.gz RWODQTORMUVACP-BXUZGUMPSA-N 0 1 292.335 2.226 20 5 CEBDMN CC[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1C)N(C)C ZINC000359220211 371381133 /nfs/dbraw/zinc/38/11/33/371381133.db2.gz OGAFCGZHGBPNKC-LBPRGKRZSA-N 0 1 265.313 2.182 20 5 CEBDMN C[C@@H]1CCC[C@H](CNC(=O)c2n[nH]cc2[N+](=O)[O-])[C@H]1C ZINC000361241758 371735851 /nfs/dbraw/zinc/73/58/51/371735851.db2.gz CHTZXNIJBMMOCC-KXUCPTDWSA-N 0 1 280.328 2.120 20 5 CEBDMN CNC(=O)CCCN(C)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000269968870 372618353 /nfs/dbraw/zinc/61/83/53/372618353.db2.gz PZXJRNLYJFBPLT-UHFFFAOYSA-N 0 1 299.758 2.206 20 5 CEBDMN O=C(NCc1ccccc1-c1ccncc1)[C@H]1CC1[N+](=O)[O-] ZINC000363066847 372623177 /nfs/dbraw/zinc/62/31/77/372623177.db2.gz VTSZDUBPSONXSZ-LSDHHAIUSA-N 0 1 297.314 2.030 20 5 CEBDMN C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)[C@H]1CC1[N+](=O)[O-] ZINC000364547667 372749667 /nfs/dbraw/zinc/74/96/67/372749667.db2.gz SBAIJVGDSDDNRI-SAXRGWBVSA-N 0 1 274.320 2.056 20 5 CEBDMN O=C([C@H]1CC1[N+](=O)[O-])N1CCC(c2ccsc2)CC1 ZINC000368880754 373285071 /nfs/dbraw/zinc/28/50/71/373285071.db2.gz BBXLJODWLAHUMC-NWDGAFQWSA-N 0 1 280.349 2.119 20 5 CEBDMN C[C@H](Nc1ccc([N+](=O)[O-])c(OC(F)F)c1)c1nnc[nH]1 ZINC000272217897 373365934 /nfs/dbraw/zinc/36/59/34/373365934.db2.gz MYGQASUXTIIHSF-LURJTMIESA-N 0 1 299.237 2.487 20 5 CEBDMN C[C@H]1CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C[C@H]1C ZINC000272598545 373572980 /nfs/dbraw/zinc/57/29/80/373572980.db2.gz XEZIKBUIYMKJAN-DTORHVGOSA-N 0 1 264.281 2.028 20 5 CEBDMN C[C@@H]1C[C@H](c2cccs2)CN1C(=O)[C@H]1CC1[N+](=O)[O-] ZINC000370996251 373770324 /nfs/dbraw/zinc/77/03/24/373770324.db2.gz CSYPVNKUXJXJIO-VPOLOUISSA-N 0 1 280.349 2.118 20 5 CEBDMN CCc1[nH]nc(C(=O)N2C[C@@H]3CCCCC[C@@H]32)c1[N+](=O)[O-] ZINC000371164298 373805026 /nfs/dbraw/zinc/80/50/26/373805026.db2.gz JVBYIPMQIQOCBT-ONGXEEELSA-N 0 1 292.339 2.285 20 5 CEBDMN CN(C(=O)[C@H]1CC1[N+](=O)[O-])C1CC(c2ccccc2)C1 ZINC000371213599 373815380 /nfs/dbraw/zinc/81/53/80/373815380.db2.gz TYPWGQMUYHVWTG-HOAMVYINSA-N 0 1 274.320 2.056 20 5 CEBDMN O=[N+]([O-])c1ccc(F)cc1CN1CCCC[C@H](CO)C1 ZINC000374047849 374474432 /nfs/dbraw/zinc/47/44/32/374474432.db2.gz CWASAOVVZHXIDE-NSHDSACASA-N 0 1 282.315 2.328 20 5 CEBDMN Cc1ncoc1C(=O)N=c1ccc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000345417867 217545268 /nfs/dbraw/zinc/54/52/68/217545268.db2.gz QDUQDZOALIFWQC-UHFFFAOYSA-N 0 1 298.258 2.114 20 5 CEBDMN COC(=O)[C@H]1CN(Cc2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000378005630 374998831 /nfs/dbraw/zinc/99/88/31/374998831.db2.gz ZGMLUYCVZIHFBF-CYBMUJFWSA-N 0 1 292.335 2.226 20 5 CEBDMN CCCc1[nH]nc(C(=O)N2CCC(C)=C(C)C2)c1[N+](=O)[O-] ZINC000280316192 375167425 /nfs/dbraw/zinc/16/74/25/375167425.db2.gz XNSYLCSBWDMYLT-UHFFFAOYSA-N 0 1 292.339 2.453 20 5 CEBDMN CC1(C)CN(C/C=C/c2ccccc2[N+](=O)[O-])C[C@H]1O ZINC000280534325 375235488 /nfs/dbraw/zinc/23/54/88/375235488.db2.gz RYNJMDWRRAHMGN-HZRUHFOJSA-N 0 1 276.336 2.311 20 5 CEBDMN Cc1[nH]nc(C(=O)N2C[C@H](C)CCC[C@H]2C)c1[N+](=O)[O-] ZINC000408223463 375432820 /nfs/dbraw/zinc/43/28/20/375432820.db2.gz DLLOWSBBQQUNIA-RKDXNWHRSA-N 0 1 280.328 2.277 20 5 CEBDMN Cc1c([C@@H](C)N[C@@H](C)C(=O)NCCF)cccc1[N+](=O)[O-] ZINC000282851286 375594437 /nfs/dbraw/zinc/59/44/37/375594437.db2.gz UCYJKMHOZWLWLF-MNOVXSKESA-N 0 1 297.330 2.028 20 5 CEBDMN CC[C@H](N[C@@H](C)C(=O)NCCF)c1cccc([N+](=O)[O-])c1 ZINC000282937038 375618690 /nfs/dbraw/zinc/61/86/90/375618690.db2.gz YQIXRXFLUGIUQK-GWCFXTLKSA-N 0 1 297.330 2.110 20 5 CEBDMN COC(=O)[C@@]1(C)CCN(Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000283197055 375671593 /nfs/dbraw/zinc/67/15/93/375671593.db2.gz RDPAHDMHZSLYRG-AWEZNQCLSA-N 0 1 296.298 2.119 20 5 CEBDMN CCN(C(=O)c1n[nH]c(C)c1[N+](=O)[O-])C1CC(C)(C)C1 ZINC000412814441 375711468 /nfs/dbraw/zinc/71/14/68/375711468.db2.gz RRCTXVSCSIKWCJ-UHFFFAOYSA-N 0 1 280.328 2.277 20 5 CEBDMN C[C@@H](N[C@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1cnn(C)c1 ZINC000283921974 375781409 /nfs/dbraw/zinc/78/14/09/375781409.db2.gz DRJIZCVWVZFVPP-NXEZZACHSA-N 0 1 289.339 2.322 20 5 CEBDMN Cc1cc(CNCc2ccc(C)c([N+](=O)[O-])c2)n(C)n1 ZINC000284055048 375803145 /nfs/dbraw/zinc/80/31/45/375803145.db2.gz SPWAYOFGFBZEKP-UHFFFAOYSA-N 0 1 274.324 2.235 20 5 CEBDMN Cc1c([C@H](C)N[C@@H](C)C(=O)NC(C)C)cccc1[N+](=O)[O-] ZINC000414328684 375832469 /nfs/dbraw/zinc/83/24/69/375832469.db2.gz AUBFBXFZBMDARV-RYUDHWBXSA-N 0 1 293.367 2.467 20 5 CEBDMN Cc1nc([C@@H](C)Nc2c(F)cccc2[N+](=O)[O-])n[nH]1 ZINC000286272627 375895056 /nfs/dbraw/zinc/89/50/56/375895056.db2.gz FUBXFPXWRZXBCD-ZCFIWIBFSA-N 0 1 265.248 2.334 20 5 CEBDMN COc1cc([N+](=O)[O-])ccc1CN1C[C@@H](C)C[C@H](CO)C1 ZINC000420946963 376745063 /nfs/dbraw/zinc/74/50/63/376745063.db2.gz SRBNBTWYAFPLHE-RYUDHWBXSA-N 0 1 294.351 2.054 20 5 CEBDMN Cc1[nH]nc(C(=O)N2CC3(CCC3)[C@@H]2C2CC2)c1[N+](=O)[O-] ZINC000291168438 377101377 /nfs/dbraw/zinc/10/13/77/377101377.db2.gz RMBGBGPHVFFJLS-LBPRGKRZSA-N 0 1 290.323 2.031 20 5 CEBDMN CO[C@@H]1CC[N@@H+](Cc2cc([O-])ccc2[N+](=O)[O-])[C@H](C)C1 ZINC000330436725 377132980 /nfs/dbraw/zinc/13/29/80/377132980.db2.gz BLBXQUZIWWBDRB-ZWNOBZJWSA-N 0 1 280.324 2.300 20 5 CEBDMN NC(=O)C1CC[NH+](Cc2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC000330447213 377136912 /nfs/dbraw/zinc/13/69/12/377136912.db2.gz YGHYRGDMYVEROF-UHFFFAOYSA-N 0 1 279.296 2.048 20 5 CEBDMN Cc1noc([C@H]2CCN(Cc3ccccc3[N+](=O)[O-])C2)n1 ZINC000332073491 377509651 /nfs/dbraw/zinc/50/96/51/377509651.db2.gz DOZDYFUOLYHYMH-LBPRGKRZSA-N 0 1 288.307 2.276 20 5 CEBDMN O=[N+]([O-])c1ccc([O-])cc1C[N@@H+]1CCCSCC1 ZINC000332205399 377541927 /nfs/dbraw/zinc/54/19/27/377541927.db2.gz DQTSGMPPCATWNO-UHFFFAOYSA-N 0 1 268.338 2.239 20 5 CEBDMN O=[N+]([O-])c1ccc([O-])cc1C[N@H+]1CCCSCC1 ZINC000332205399 377541933 /nfs/dbraw/zinc/54/19/33/377541933.db2.gz DQTSGMPPCATWNO-UHFFFAOYSA-N 0 1 268.338 2.239 20 5 CEBDMN C[C@@H]1[C@@H](C)CN1CCOc1ccccc1[N+](=O)[O-] ZINC000293336478 377526604 /nfs/dbraw/zinc/52/66/04/377526604.db2.gz GVZZFFMGAFZLKI-WDEREUQCSA-N 0 1 250.298 2.314 20 5 CEBDMN CC[C@@H]1CCCN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])CC1 ZINC000265315897 190174269 /nfs/dbraw/zinc/17/42/69/190174269.db2.gz UGKLLRDOYIICSA-SNVBAGLBSA-N 0 1 280.328 2.279 20 5 CEBDMN Cc1ccncc1NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000432489946 377768429 /nfs/dbraw/zinc/76/84/29/377768429.db2.gz NNDIGHSTEWYMAU-UHFFFAOYSA-N 0 1 273.248 2.256 20 5 CEBDMN CC[C@@H](C)N(CCO)Cc1ccc([N+](=O)[O-])cc1OC ZINC000347460797 218243800 /nfs/dbraw/zinc/24/38/00/218243800.db2.gz VQBQCIBJVYXJHK-LLVKDONJSA-N 0 1 282.340 2.196 20 5 CEBDMN CC[C@H](C)N(CCO)Cc1csc([N+](=O)[O-])c1 ZINC000347467804 218246158 /nfs/dbraw/zinc/24/61/58/218246158.db2.gz FDIVZZMBQMOYAM-VIFPVBQESA-N 0 1 258.343 2.249 20 5 CEBDMN C[C@@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)[C@H]1C(=O)[O-] ZINC000300425037 379174335 /nfs/dbraw/zinc/17/43/35/379174335.db2.gz PJBSTHPKBGDIDV-ZWNOBZJWSA-N 0 1 278.308 2.280 20 5 CEBDMN CC1(C)CCC[C@@H](CNC(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000456915505 379595482 /nfs/dbraw/zinc/59/54/82/379595482.db2.gz KFTAFEJAUODJCZ-SECBINFHSA-N 0 1 280.328 2.264 20 5 CEBDMN O=[N+]([O-])c1ccc(CN2CCN(C3CC3)CC2)c(F)c1 ZINC000267015016 190297377 /nfs/dbraw/zinc/29/73/77/190297377.db2.gz INVAZBZDDLLDAK-UHFFFAOYSA-N 0 1 279.315 2.014 20 5 CEBDMN C[C@@H]1C[C@@H](C)N1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000525941151 379682612 /nfs/dbraw/zinc/68/26/12/379682612.db2.gz GBBDNGULKAJNRJ-HTQZYQBOSA-N 0 1 274.280 2.094 20 5 CEBDMN O=C(Nc1nc2ccc(F)cc2[nH]1)c1ccc([N+](=O)[O-])o1 ZINC000488896471 380141838 /nfs/dbraw/zinc/14/18/38/380141838.db2.gz JLGQXTMOQBTKQV-UHFFFAOYSA-N 0 1 290.210 2.456 20 5 CEBDMN O=[N+]([O-])c1cc(Cl)cnc1N1CCCN(C2CC2)CC1 ZINC000178835193 285090886 /nfs/dbraw/zinc/09/08/86/285090886.db2.gz UCYAMNYRQKTXQW-UHFFFAOYSA-N 0 1 296.758 2.318 20 5 CEBDMN O=[N+]([O-])c1cc(O)cc(-c2nc(-c3ccncc3)no2)c1 ZINC000362715316 285096690 /nfs/dbraw/zinc/09/66/90/285096690.db2.gz IJRKMLKHCZGHEZ-UHFFFAOYSA-N 0 1 284.231 2.412 20 5 CEBDMN C[C@@H](O)CCCN1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000354804604 533589967 /nfs/dbraw/zinc/58/99/67/533589967.db2.gz HHZTUSCMQYWJEP-LLVKDONJSA-N 0 1 264.325 2.114 20 5 CEBDMN COc1ccc(CN2CCC[C@H](CO)[C@@H]2C)cc1[N+](=O)[O-] ZINC000412100332 533557750 /nfs/dbraw/zinc/55/77/50/533557750.db2.gz XMYUBJCMBGRIGL-WCQYABFASA-N 0 1 294.351 2.196 20 5 CEBDMN CC[C@H](C)[N@@H+](CCc1ccc([N+](=O)[O-])cc1)CC(=O)[O-] ZINC000037598614 394497097 /nfs/dbraw/zinc/49/70/97/394497097.db2.gz BOKBHTAVVQFBSH-NSHDSACASA-N 0 1 280.324 2.322 20 5 CEBDMN CC(C)CN(C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000049442762 394547444 /nfs/dbraw/zinc/54/74/44/394547444.db2.gz JGGWEWJFDPVKQU-UHFFFAOYSA-N 0 1 265.313 2.121 20 5 CEBDMN CC(C)c1[nH]nc(C(=O)N(C)[C@H](C)C2CC2)c1[N+](=O)[O-] ZINC000331990839 394635306 /nfs/dbraw/zinc/63/53/06/394635306.db2.gz YWAFEOOSHMVSHI-MRVPVSSYSA-N 0 1 280.328 2.312 20 5 CEBDMN Cc1ccc2nc(NC(=O)c3ccc([N+](=O)[O-])n3C)[nH]c2c1 ZINC000344525884 395056595 /nfs/dbraw/zinc/05/65/95/395056595.db2.gz ODOFHTZEZDOWKX-UHFFFAOYSA-N 0 1 299.290 2.370 20 5 CEBDMN CCn1cccc(CNCc2cccc([N+](=O)[O-])c2)c1=O ZINC000433194628 395208809 /nfs/dbraw/zinc/20/88/09/395208809.db2.gz YBZMNSJULGVTRR-UHFFFAOYSA-N 0 1 287.319 2.066 20 5 CEBDMN CC[C@@H](C)N1CCN(c2nccc(C)c2[N+](=O)[O-])CC1 ZINC000296137959 395308709 /nfs/dbraw/zinc/30/87/09/395308709.db2.gz XAMVVGWPJGQNQO-GFCCVEGCSA-N 0 1 278.356 2.219 20 5 CEBDMN Cc1ccc([C@@H](C)NCC(=O)N(C)C(C)C)cc1[N+](=O)[O-] ZINC000411471463 395328946 /nfs/dbraw/zinc/32/89/46/395328946.db2.gz FGMMMGNCVUREFA-GFCCVEGCSA-N 0 1 293.367 2.421 20 5 CEBDMN CCC[C@@H](C)N(C)C(=O)c1n[nH]c(CC)c1[N+](=O)[O-] ZINC000443953250 395406346 /nfs/dbraw/zinc/40/63/46/395406346.db2.gz RSBWEMHMQPLNCT-MRVPVSSYSA-N 0 1 268.317 2.141 20 5 CEBDMN Cn1cnc([N+](=O)[O-])c1CN1CCC2(CCCC2)CC1 ZINC000355355195 395418891 /nfs/dbraw/zinc/41/88/91/395418891.db2.gz TXDAKMLBUJYSML-UHFFFAOYSA-N 0 1 278.356 2.485 20 5 CEBDMN CCN(CC(=O)N(C)Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000194160265 395426651 /nfs/dbraw/zinc/42/66/51/395426651.db2.gz LBJQWWIFGBLYDF-UHFFFAOYSA-N 0 1 291.351 2.038 20 5 CEBDMN Cc1c(CNCc2cnc3cnccn23)cccc1[N+](=O)[O-] ZINC000359819665 155142520 /nfs/dbraw/zinc/14/25/20/155142520.db2.gz QXCPHDSHFFXFAE-UHFFFAOYSA-N 0 1 297.318 2.236 20 5 CEBDMN COCCN1CC[C@H](Nc2cc(C)c([N+](=O)[O-])cc2F)C1 ZINC000360068666 155208398 /nfs/dbraw/zinc/20/83/98/155208398.db2.gz ATPAEWJPSRISJW-NSHDSACASA-N 0 1 297.330 2.175 20 5 CEBDMN Cc1ccc([C@@H]2CCCCN2C(=O)[C@H]2CC2[N+](=O)[O-])o1 ZINC000371766439 292209852 /nfs/dbraw/zinc/20/98/52/292209852.db2.gz QGUGVPFKPQTPOH-SDDRHHMPSA-N 0 1 278.308 2.307 20 5 CEBDMN CC(C)NC(=O)[C@H](C)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000228930010 153372332 /nfs/dbraw/zinc/37/23/32/153372332.db2.gz OGXMTGLHASCVIT-QWRGUYRKSA-N 0 1 279.340 2.159 20 5 CEBDMN Cc1ccc(C[N@H+]2C[C@H](C)C[C@H](C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000263102897 154019112 /nfs/dbraw/zinc/01/91/12/154019112.db2.gz XDVVAJGQCFIXNW-MFKMUULPSA-N 0 1 292.335 2.446 20 5 CEBDMN CC(C)[C@H]1CCN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000331966621 154215332 /nfs/dbraw/zinc/21/53/32/154215332.db2.gz MNFYNBMSMIFWSK-GFCCVEGCSA-N 0 1 264.281 2.171 20 5 CEBDMN O=[N+]([O-])c1ccc(CN2C[C@H]3CCC[C@@H](C2)C3O)cc1F ZINC000374792871 157016634 /nfs/dbraw/zinc/01/66/34/157016634.db2.gz JUYGTIODNFLFFY-ODOQXGPZSA-N 0 1 294.326 2.327 20 5 CEBDMN Cc1csc2c1CN(CCn1cc([N+](=O)[O-])cn1)CC2 ZINC000374785868 157017029 /nfs/dbraw/zinc/01/70/29/157017029.db2.gz XMOQCCADXLIQPX-UHFFFAOYSA-N 0 1 292.364 2.220 20 5 CEBDMN C[C@@H]1C[C@@H](C)N1CCOc1ccccc1[N+](=O)[O-] ZINC000548424406 298409868 /nfs/dbraw/zinc/40/98/68/298409868.db2.gz FDVDMYVGGQABSY-GHMZBOCLSA-N 0 1 250.298 2.456 20 5 CEBDMN CCc1[nH]nc(C(=O)N2CCC3(CCCC3)C2)c1[N+](=O)[O-] ZINC000174853590 165119449 /nfs/dbraw/zinc/11/94/49/165119449.db2.gz HJEIEHCDRWXOMP-UHFFFAOYSA-N 0 1 292.339 2.287 20 5 CEBDMN COC[C@H](NCc1c(F)cccc1[N+](=O)[O-])C1CC1 ZINC000181560601 165350445 /nfs/dbraw/zinc/35/04/45/165350445.db2.gz GXMQCXCLIMUFPE-LBPRGKRZSA-N 0 1 268.288 2.249 20 5 CEBDMN CCOc1cc(CN(C)C[C@H](C)OC)ccc1[N+](=O)[O-] ZINC000285565994 196329826 /nfs/dbraw/zinc/32/98/26/196329826.db2.gz HJDAFJZTOOHKAP-NSHDSACASA-N 0 1 282.340 2.460 20 5 CEBDMN CSCCCN1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000172715406 274175179 /nfs/dbraw/zinc/17/51/79/274175179.db2.gz SHILSACYSZCLIM-UHFFFAOYSA-N 0 1 295.408 2.470 20 5 CEBDMN C[C@@H]1CCN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000331600138 274303512 /nfs/dbraw/zinc/30/35/12/274303512.db2.gz QBZMYZVCHBWZIM-BXUZGUMPSA-N 0 1 289.335 2.042 20 5 CEBDMN Cc1cc(N2CCC[C@@H](O)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000228444915 274705382 /nfs/dbraw/zinc/70/53/82/274705382.db2.gz ALNXCHCVZJSEFN-GFCCVEGCSA-N 0 1 287.319 2.413 20 5 CEBDMN Cc1cc(N2CC[C@H](N3CC=CC3)C2)c(F)cc1[N+](=O)[O-] ZINC000292344851 274710968 /nfs/dbraw/zinc/71/09/68/274710968.db2.gz BOJQAOUGDDEQFU-LBPRGKRZSA-N 0 1 291.326 2.493 20 5 CEBDMN CCC[C@@H]1CNCCN1C(=O)c1cc([N+](=O)[O-])ccc1C ZINC000359200074 276032870 /nfs/dbraw/zinc/03/28/70/276032870.db2.gz AEIQGBBFFYBUEB-CYBMUJFWSA-N 0 1 291.351 2.117 20 5 CEBDMN CCC[N@@H+](CC(=O)[O-])Cc1c(F)cccc1[N+](=O)[O-] ZINC000184932844 276249975 /nfs/dbraw/zinc/24/99/75/276249975.db2.gz PKRBAUZLXFGLGH-UHFFFAOYSA-N 0 1 270.260 2.031 20 5 CEBDMN CO[C@H]1CCN([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000267660788 277341184 /nfs/dbraw/zinc/34/11/84/277341184.db2.gz MPURUYYQGGUSKD-MNOVXSKESA-N 0 1 250.298 2.377 20 5 CEBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@@H]1CCCCNC1=O ZINC000134079127 280012638 /nfs/dbraw/zinc/01/26/38/280012638.db2.gz VUFZACHNNXAUFE-BXUZGUMPSA-N 0 1 291.351 2.223 20 5 CEBDMN CC(C)[C@@H](CC(F)(F)F)NCc1c([N+](=O)[O-])ncn1C ZINC000445900183 281706560 /nfs/dbraw/zinc/70/65/60/281706560.db2.gz YUDQUUASFMHGKO-MRVPVSSYSA-N 0 1 294.277 2.395 20 5 CEBDMN C[C@H](c1ccccc1[N+](=O)[O-])N1C[C@H](O)C(C)(C)C1 ZINC000279721854 290267856 /nfs/dbraw/zinc/26/78/56/290267856.db2.gz IYDGQWIBMYISIY-MFKMUULPSA-N 0 1 264.325 2.359 20 5 CEBDMN CC(C)[C@@H]1CN(c2ccc([N+](=O)[O-])c(N)c2F)CCN1C ZINC000487101420 290331278 /nfs/dbraw/zinc/33/12/78/290331278.db2.gz PRMNCYQLJUSCQP-LBPRGKRZSA-N 0 1 296.346 2.093 20 5 CEBDMN COC[C@@H](NCc1nc2cc([N+](=O)[O-])ccc2o1)C(C)C ZINC000542521107 298291691 /nfs/dbraw/zinc/29/16/91/298291691.db2.gz KCHDOKVHPOZPIM-GFCCVEGCSA-N 0 1 293.323 2.497 20 5 CEBDMN CC(C)c1[nH]nc(C(=O)N2C3CCC2CC3)c1[N+](=O)[O-] ZINC000532758870 313358255 /nfs/dbraw/zinc/35/82/55/313358255.db2.gz VQTYSNPMDBOXMZ-UHFFFAOYSA-N 0 1 278.312 2.208 20 5 CEBDMN CCO[C@@H]1C[C@H]1N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000556078722 313657804 /nfs/dbraw/zinc/65/78/04/313657804.db2.gz YEGASPRJQSZJFY-ZWKOPEQDSA-N 0 1 250.298 2.423 20 5 CEBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)C(C)(C)C ZINC000576515759 314283524 /nfs/dbraw/zinc/28/35/24/314283524.db2.gz TURVSKRUUGLIAK-UHFFFAOYSA-N 0 1 295.339 2.272 20 5 CEBDMN C[C@@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C[C@]1(C)C(=O)[O-] ZINC000576950082 314326401 /nfs/dbraw/zinc/32/64/01/314326401.db2.gz CEYHBTHQJYJYHP-YGRLFVJLSA-N 0 1 278.308 2.137 20 5 CEBDMN Cc1cccc([N+](=O)[O-])c1C(=O)Nc1ncccc1O ZINC000192928941 321798564 /nfs/dbraw/zinc/79/85/64/321798564.db2.gz BRSNYLGIRLMLIU-UHFFFAOYSA-N 0 1 273.248 2.256 20 5 CEBDMN Cc1n[nH]c([C@@H]2CCN(Cc3csc([N+](=O)[O-])c3)C2)n1 ZINC000412025607 534577102 /nfs/dbraw/zinc/57/71/02/534577102.db2.gz HNGCQJDZKBLGMU-SNVBAGLBSA-N 0 1 293.352 2.072 20 5 CEBDMN Cc1nnc([C@@H]2CCN(Cc3csc([N+](=O)[O-])c3)C2)[nH]1 ZINC000412025607 534577108 /nfs/dbraw/zinc/57/71/08/534577108.db2.gz HNGCQJDZKBLGMU-SNVBAGLBSA-N 0 1 293.352 2.072 20 5 CEBDMN CN(CCCCCO)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000278804404 522730855 /nfs/dbraw/zinc/73/08/55/522730855.db2.gz GBOUSNBIRVHRLL-UHFFFAOYSA-N 0 1 293.323 2.330 20 5 CEBDMN CC[C@H]1CN(CCCOc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000055901342 523276794 /nfs/dbraw/zinc/27/67/94/523276794.db2.gz GCRLJQVVRKBHAO-AWEZNQCLSA-N 0 1 294.351 2.475 20 5 CEBDMN CC(C)c1nc(CNc2ccccc2[N+](=O)[O-])n[nH]1 ZINC000294909012 534989737 /nfs/dbraw/zinc/98/97/37/534989737.db2.gz IBVXSEGWWZWMKJ-UHFFFAOYSA-N 0 1 261.285 2.448 20 5 CEBDMN Cc1ncsc1COC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000732500787 574622476 /nfs/dbraw/zinc/62/24/76/574622476.db2.gz OCFFAAMWHZTBPB-UHFFFAOYSA-N 0 1 267.266 2.045 20 5 CEBDMN C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000227818129 601520680 /nfs/dbraw/zinc/52/06/80/601520680.db2.gz JANGLVJJJZFDCZ-CKYFFXLPSA-N 0 1 278.308 2.308 20 5 CEBDMN Cc1cc(F)cc(C(=O)Nc2nncs2)c1[N+](=O)[O-] ZINC000176719742 624598990 /nfs/dbraw/zinc/59/89/90/624598990.db2.gz QJVWECNCYDISSY-UHFFFAOYSA-N 0 1 282.256 2.146 20 5 CEBDMN CC(C)[C@](C)(NCc1ccc(Cl)c([N+](=O)[O-])c1)C(N)=O ZINC000312311358 628226793 /nfs/dbraw/zinc/22/67/93/628226793.db2.gz ZSLLZXWJHYWZSX-ZDUSSCGKSA-N 0 1 299.758 2.238 20 5 CEBDMN CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])[C@@H](C)Cc1ccsc1 ZINC000840426291 634654426 /nfs/dbraw/zinc/65/44/26/634654426.db2.gz MAMNWPFYLCGSSJ-MVWJERBFSA-N 0 1 282.365 2.193 20 5 CEBDMN CN1C[C@H]2[C@@H](CCN2c2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000893941584 629056286 /nfs/dbraw/zinc/05/62/86/629056286.db2.gz UZPQLUIHDODVNU-UFBFGSQYSA-N 0 1 283.278 2.013 20 5 CEBDMN O=[N+]([O-])CCN1CCC[C@H]1Cc1cccc(F)c1 ZINC000791052534 629240180 /nfs/dbraw/zinc/24/01/80/629240180.db2.gz OXPTTYFZZICWAS-ZDUSSCGKSA-N 0 1 252.289 2.109 20 5 CEBDMN Cc1ccnc(N)c1CNCc1cccc([N+](=O)[O-])c1C ZINC000894542204 629521999 /nfs/dbraw/zinc/52/19/99/629521999.db2.gz HNCZXWNEBFDRCK-UHFFFAOYSA-N 0 1 286.335 2.479 20 5 CEBDMN CO[C@@H](C)CN(C)Cn1nc(C)c2cc([N+](=O)[O-])ccc21 ZINC000795749281 629664887 /nfs/dbraw/zinc/66/48/87/629664887.db2.gz GIJFFDNAAUBKGR-JTQLQIEISA-N 0 1 292.339 2.177 20 5 CEBDMN Cc1cc([C@@H](C)NCc2ccc([N+](=O)[O-])cc2)n(C)n1 ZINC000793534362 629900833 /nfs/dbraw/zinc/90/08/33/629900833.db2.gz PDMLWPINILKRNE-LLVKDONJSA-N 0 1 274.324 2.488 20 5 CEBDMN Cc1cc(N[C@H](C)[C@@H]2CN(C)CCN2C)c([N+](=O)[O-])s1 ZINC000895247119 630060428 /nfs/dbraw/zinc/06/04/28/630060428.db2.gz SXTNWBLUOXWZPY-PWSUYJOCSA-N 0 1 298.412 2.011 20 5 CEBDMN Cc1cc(N[C@H]2CC[N@@H+](C)[C@@H]2C)c([N+](=O)[O-])s1 ZINC000895736478 630326252 /nfs/dbraw/zinc/32/62/52/630326252.db2.gz JDEUGPLNJCCHGL-BDAKNGLRSA-N 0 1 255.343 2.469 20 5 CEBDMN Cc1cc(N[C@H]2CCN(C)[C@@H]2C)c([N+](=O)[O-])s1 ZINC000895736478 630326256 /nfs/dbraw/zinc/32/62/56/630326256.db2.gz JDEUGPLNJCCHGL-BDAKNGLRSA-N 0 1 255.343 2.469 20 5 CEBDMN O=C(N[C@@H]1C[C@@H]2CCC[C@@H]12)c1cc(O)cc([N+](=O)[O-])c1 ZINC000889595999 632301457 /nfs/dbraw/zinc/30/14/57/632301457.db2.gz DVTDQXWSXQCLHV-ZEGGKSINSA-N 0 1 276.292 2.219 20 5 CEBDMN CCN(C[C@H](C)OC)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000812303386 632505349 /nfs/dbraw/zinc/50/53/49/632505349.db2.gz PWOZBBUBXJQEEM-NSHDSACASA-N 0 1 292.339 2.259 20 5 CEBDMN Cc1ccnc(-c2ccc(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])cc2)n1 ZINC000840354960 633889017 /nfs/dbraw/zinc/88/90/17/633889017.db2.gz UIYZOAHFMCOHNR-CHWSQXEVSA-N 0 1 298.302 2.056 20 5 CEBDMN C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@@H](C(=O)[O-])C1 ZINC000901491534 634142278 /nfs/dbraw/zinc/14/22/78/634142278.db2.gz SXJPIOXLHWXYAB-SVTZGKHISA-N 0 1 290.319 2.405 20 5 CEBDMN O=[N+]([O-])CCNCc1ccc(COCC(F)(F)F)cc1 ZINC000905031443 635794566 /nfs/dbraw/zinc/79/45/66/635794566.db2.gz QYAWWEGOYMNHTE-UHFFFAOYSA-N 0 1 292.257 2.132 20 5 CEBDMN CN1CCC[C@H](NC(=O)c2cccc(Cl)c2[N+](=O)[O-])C1 ZINC000149231903 636843475 /nfs/dbraw/zinc/84/34/75/636843475.db2.gz IWEHBTVHSUJABP-VIFPVBQESA-N 0 1 297.742 2.072 20 5 CEBDMN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1C[C@H](C)N[C@@H](C)C1 ZINC000876530683 650306882 /nfs/dbraw/zinc/30/68/82/650306882.db2.gz PODVFUYBNXZQSY-QWRGUYRKSA-N 0 1 291.351 2.034 20 5 CEBDMN O=[N+]([O-])c1ccc(CN2CC[C@H](CCCO)C2)cc1F ZINC000832787386 637671108 /nfs/dbraw/zinc/67/11/08/637671108.db2.gz WYYJBGOWICCVPR-NSHDSACASA-N 0 1 282.315 2.328 20 5 CEBDMN CC(C)n1ccc(COC(=O)c2ccc([N+](=O)[O-])[nH]2)n1 ZINC000835897514 638446705 /nfs/dbraw/zinc/44/67/05/638446705.db2.gz MLCOQKYPHMLISG-UHFFFAOYSA-N 0 1 278.268 2.057 20 5 CEBDMN CS[C@H](C)CC(=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837599263 639303280 /nfs/dbraw/zinc/30/32/80/639303280.db2.gz AVPWSQRQRZPWSN-MRVPVSSYSA-N 0 1 285.321 2.485 20 5 CEBDMN COCCC[C@@H](C)C(=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837619907 639311871 /nfs/dbraw/zinc/31/18/71/639311871.db2.gz FWDUOAKZILMGSV-SNVBAGLBSA-N 0 1 297.307 2.406 20 5 CEBDMN C[C@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])c1nc(C2CC2)cs1 ZINC000841176631 639700842 /nfs/dbraw/zinc/70/08/42/639700842.db2.gz UNNIDGOMUYYRQM-SKWCMTHISA-N 0 1 282.321 2.290 20 5 CEBDMN O=[N+]([O-])CCN1CCC(Cc2ccc(F)cc2)CC1 ZINC000929457196 639946008 /nfs/dbraw/zinc/94/60/08/639946008.db2.gz DFGGGPPFHZYJMA-UHFFFAOYSA-N 0 1 266.316 2.357 20 5 CEBDMN C[C@@H]1C[C@@H](c2cccc(F)c2)N(CC[N+](=O)[O-])C1 ZINC000929724272 640034827 /nfs/dbraw/zinc/03/48/27/640034827.db2.gz YWVCQKQGNBTWCG-MFKMUULPSA-N 0 1 252.289 2.485 20 5 CEBDMN CC(=O)OC1CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC000153468487 640510423 /nfs/dbraw/zinc/51/04/23/640510423.db2.gz FVTGDWKLABYASJ-UHFFFAOYSA-N 0 1 278.308 2.122 20 5 CEBDMN CC[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@H]1CCCOC1 ZINC000844403218 640709448 /nfs/dbraw/zinc/70/94/48/640709448.db2.gz DUJQIRNKVHHNBW-LSDHHAIUSA-N 0 1 294.351 2.129 20 5 CEBDMN C[C@H]1CN(Cn2cc([N+](=O)[O-])cn2)CCc2ccccc21 ZINC000844743127 640822836 /nfs/dbraw/zinc/82/28/36/640822836.db2.gz UJJIYUHEOHOERG-LBPRGKRZSA-N 0 1 286.335 2.411 20 5 CEBDMN CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)c1ccn[nH]1 ZINC000917069405 640845968 /nfs/dbraw/zinc/84/59/68/640845968.db2.gz RMIFQTRENBWTIH-UHFFFAOYSA-N 0 1 294.698 2.244 20 5 CEBDMN O=C(OCC[C@@H]1CCc2ccccc21)[C@@H]1CC1[N+](=O)[O-] ZINC000849806875 642472406 /nfs/dbraw/zinc/47/24/06/642472406.db2.gz KMKKXJBJMQVSPH-IACUBPJLSA-N 0 1 275.304 2.315 20 5 CEBDMN CSCC(C)(C)COC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000851171967 642941701 /nfs/dbraw/zinc/94/17/01/642941701.db2.gz IFISHKZRINCOEX-UHFFFAOYSA-N 0 1 272.326 2.469 20 5 CEBDMN C[C@H](C(=O)OCc1cc(O)ccc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000923056743 643541155 /nfs/dbraw/zinc/54/11/55/643541155.db2.gz CEAJVOOBKAXVFI-ZANVPECISA-N 0 1 295.291 2.159 20 5 CEBDMN Cc1nc(CN(C)Cc2cc([N+](=O)[O-])ccc2Cl)n[nH]1 ZINC000756896192 644707216 /nfs/dbraw/zinc/70/72/16/644707216.db2.gz DWTAJZOYQBKTMC-UHFFFAOYSA-N 0 1 295.730 2.307 20 5 CEBDMN Cc1cccc([C@H]2CCCN2C(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC000839568724 644745454 /nfs/dbraw/zinc/74/54/54/644745454.db2.gz UKGOJRKPCIZXOK-MGPQQGTHSA-N 0 1 274.320 2.324 20 5 CEBDMN O=C(N[C@H]1CCc2c1cccc2Cl)[C@@H]1CC1[N+](=O)[O-] ZINC000839571845 644746800 /nfs/dbraw/zinc/74/68/00/644746800.db2.gz JJDUBGDTYSDJAD-ADEWGFFLSA-N 0 1 280.711 2.109 20 5 CEBDMN Cc1c(CNC(=O)[C@@H]2CC2[N+](=O)[O-])oc2ccc(F)cc12 ZINC000839579035 644747680 /nfs/dbraw/zinc/74/76/80/644747680.db2.gz CVFTWQGIBHTFCW-GHMZBOCLSA-N 0 1 292.266 2.162 20 5 CEBDMN CCCC[C@@H]1CCC[C@H]1NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839642173 644771013 /nfs/dbraw/zinc/77/10/13/644771013.db2.gz FKOILPFMQQJTEE-DDHJBXDOSA-N 0 1 254.330 2.127 20 5 CEBDMN O=C(N[C@H](c1ccc(F)cc1)C1CCC1)[C@@H]1CC1[N+](=O)[O-] ZINC000839686698 644773451 /nfs/dbraw/zinc/77/34/51/644773451.db2.gz OWKTYLNSOSMGLS-MCIONIFRSA-N 0 1 292.310 2.448 20 5 CEBDMN CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])[C@@H](C)c1cccc(OC)c1 ZINC000839691385 644775432 /nfs/dbraw/zinc/77/54/32/644775432.db2.gz NDNPMXBSKGDWNV-ZLKJLUDKSA-N 0 1 292.335 2.270 20 5 CEBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(F)(c2ccccc2)CC1 ZINC000839746510 644803881 /nfs/dbraw/zinc/80/38/81/644803881.db2.gz KLUDRCXNCXESEK-CHWSQXEVSA-N 0 1 292.310 2.139 20 5 CEBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC2(CCC2)[C@H]1c1ccccc1 ZINC000839777039 644813227 /nfs/dbraw/zinc/81/32/27/644813227.db2.gz FSHPJRPITPZPQQ-MGPQQGTHSA-N 0 1 286.331 2.405 20 5 CEBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@@H]1c1ccc(F)cc1F ZINC000839789735 644819241 /nfs/dbraw/zinc/81/92/41/644819241.db2.gz FRRRIDPGZJDRIN-RAIGVLPGSA-N 0 1 296.273 2.294 20 5 CEBDMN Cc1ccc([C@@H](C)NC(=O)c2n[nH]cc2[N+](=O)[O-])s1 ZINC000763984723 645598029 /nfs/dbraw/zinc/59/80/29/645598029.db2.gz WLBREHYFAQEWLR-SSDOTTSWSA-N 0 1 280.309 2.179 20 5 CEBDMN CC[C@@H](C)N(OC)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000780653269 647455629 /nfs/dbraw/zinc/45/56/29/647455629.db2.gz YRTSFBLFRMBKOZ-MRVPVSSYSA-N 0 1 268.269 2.103 20 5 CEBDMN CC[C@H]1CN(Cc2ccc([N+](=O)[O-])c(Cl)c2)C[C@H]1O ZINC000783579735 647731599 /nfs/dbraw/zinc/73/15/99/647731599.db2.gz IADGKCPHRWWYFI-GXFFZTMASA-N 0 1 284.743 2.451 20 5 CEBDMN CCC[C@H](C)NC(=O)[C@@](C)(N)c1cccc([N+](=O)[O-])c1 ZINC000867950413 647999492 /nfs/dbraw/zinc/99/94/92/647999492.db2.gz VCKZYCPRQUILIP-HZMBPMFUSA-N 0 1 279.340 2.074 20 5 CEBDMN CCC[C@@H](C)NC(=O)[C@@](C)(N)c1cccc([N+](=O)[O-])c1 ZINC000867950416 647999895 /nfs/dbraw/zinc/99/98/95/647999895.db2.gz VCKZYCPRQUILIP-YGRLFVJLSA-N 0 1 279.340 2.074 20 5 CEBDMN O=C(OCCN1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000789981815 648365517 /nfs/dbraw/zinc/36/55/17/648365517.db2.gz DPFVCMBDQNMTOL-UHFFFAOYSA-N 0 1 278.308 2.238 20 5 CEBDMN C[C@H](NCC(C)(C)O)c1c(F)cccc1[N+](=O)[O-] ZINC000872035039 649248506 /nfs/dbraw/zinc/24/85/06/649248506.db2.gz KAMBPYPIZIOJPR-QMMMGPOBSA-N 0 1 256.277 2.155 20 5 CEBDMN COC[C@H](CN[C@H](C)c1c(F)cccc1[N+](=O)[O-])OC ZINC000872059229 649257335 /nfs/dbraw/zinc/25/73/35/649257335.db2.gz BPOAWGCZMTYZHO-ZJUUUORDSA-N 0 1 286.303 2.046 20 5 CEBDMN CON1CCC(N[C@@H](C)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000872078965 649266229 /nfs/dbraw/zinc/26/62/29/649266229.db2.gz FIPNVZUUYLMAEU-JTQLQIEISA-N 0 1 297.330 2.410 20 5 CEBDMN Cc1c(CN[C@H](C)[C@H](O)C(F)(F)F)cccc1[N+](=O)[O-] ZINC000873151526 649571400 /nfs/dbraw/zinc/57/14/00/649571400.db2.gz XPFNCALTFFAGOA-KCJUWKMLSA-N 0 1 292.257 2.305 20 5 CEBDMN COc1cc([N+](=O)[O-])ccc1CN1C[C@H](O)CC(C)(C)C1 ZINC000879624188 651331946 /nfs/dbraw/zinc/33/19/46/651331946.db2.gz OIGROWFBCOMUEV-CYBMUJFWSA-N 0 1 294.351 2.196 20 5 CEBDMN CCCCO[C@H]1C[C@@H](N(C)C(=O)[C@@H]2CC2[N+](=O)[O-])C1(C)C ZINC001126918789 806808314 /nfs/dbraw/zinc/80/83/14/806808314.db2.gz KOZSHGXIUMGLCE-LPWJVIDDSA-N 0 1 298.383 2.094 20 5 CEBDMN CCCC(=O)N(C)CCNCc1csc([N+](=O)[O-])c1 ZINC001266626955 802794034 /nfs/dbraw/zinc/79/40/34/802794034.db2.gz DMYAPDNSTYWCSK-UHFFFAOYSA-N 0 1 285.369 2.004 20 5 CEBDMN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC2(CC1)OCCO2 ZINC000028078600 809207973 /nfs/dbraw/zinc/20/79/73/809207973.db2.gz LTBNXORNMFIZBN-LBPRGKRZSA-N 0 1 292.335 2.495 20 5 CEBDMN COC1(OC)CC[C@@H]1N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000711422849 810070277 /nfs/dbraw/zinc/07/02/77/810070277.db2.gz CYPKHMHGNCAYAX-MFKMUULPSA-N 0 1 280.324 2.397 20 5 CEBDMN Cc1nc(N[C@H]2CNCc3ccsc32)ncc1[N+](=O)[O-] ZINC001155571864 811090028 /nfs/dbraw/zinc/09/00/28/811090028.db2.gz VRMNYIDSKHFXNQ-VIFPVBQESA-N 0 1 291.336 2.011 20 5 CEBDMN COCC1CN([C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC001170329797 812389650 /nfs/dbraw/zinc/38/96/50/812389650.db2.gz UTKIFXFNTFIJCQ-NSHDSACASA-N 0 1 294.351 2.113 20 5 CEBDMN [CH2]CC[N@@H+](CCN)[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172901721 815539344 /nfs/dbraw/zinc/53/93/44/815539344.db2.gz JRXUOUGYYPNOOJ-OAHLLOKOSA-N 0 1 290.387 2.327 20 5 CEBDMN [CH2]CCN(CC[NH3+])[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172901721 815539347 /nfs/dbraw/zinc/53/93/47/815539347.db2.gz JRXUOUGYYPNOOJ-OAHLLOKOSA-N 0 1 290.387 2.327 20 5 CEBDMN CN1CC(CNc2ccc3cccc([N+](=O)[O-])c3n2)C1 ZINC001159218951 813302132 /nfs/dbraw/zinc/30/21/32/813302132.db2.gz URTLAKBJAPINLY-UHFFFAOYSA-N 0 1 272.308 2.117 20 5 CEBDMN Cc1ccc(C[N@H+]2CCC[C@@H]2CC(=O)[O-])cc1[N+](=O)[O-] ZINC000714013610 814882345 /nfs/dbraw/zinc/88/23/45/814882345.db2.gz ANGHHGOQZKIRAP-GFCCVEGCSA-N 0 1 278.308 2.342 20 5 CEBDMN CC1(C)Cc2cc(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])ccc2O1 ZINC000839704365 816577443 /nfs/dbraw/zinc/57/74/43/816577443.db2.gz WSPJQAMGEPVKJH-GHMZBOCLSA-N 0 1 276.292 2.004 20 5 CEBDMN Cc1[nH]ncc1CN(C)C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC001142913694 816756280 /nfs/dbraw/zinc/75/62/80/816756280.db2.gz HKYXFDLRQBBUPN-UHFFFAOYSA-N 0 1 292.270 2.038 20 5 CEBDMN COc1ccc([N+](=O)[O-])cc1CNCc1ccn(C)c1 ZINC000124997184 187165247 /nfs/dbraw/zinc/16/52/47/187165247.db2.gz NFJZNNWUALGLSY-UHFFFAOYSA-N 0 1 275.308 2.232 20 5 CEBDMN CSC1CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1 ZINC000601693872 346881127 /nfs/dbraw/zinc/88/11/27/346881127.db2.gz QSUXCTMCCLCPNZ-UHFFFAOYSA-N 0 1 296.348 2.268 20 5 CEBDMN C[C@H]1CCC2=NN(c3ccc([N+](=O)[O-])cn3)C(=O)[C@H]2C1 ZINC000601931459 346929296 /nfs/dbraw/zinc/92/92/96/346929296.db2.gz FKAXGAFVSMEICN-WPRPVWTQSA-N 0 1 274.280 2.129 20 5 CEBDMN CCCc1cc(=O)n(-c2ccc([N+](=O)[O-])cc2OC)[nH]1 ZINC000601936484 346932065 /nfs/dbraw/zinc/93/20/65/346932065.db2.gz RLEXIKLJJUMZMI-UHFFFAOYSA-N 0 1 277.280 2.496 20 5 CEBDMN C[C@@H](Sc1nc(N)cc(N)n1)c1cccc([N+](=O)[O-])c1 ZINC000007203114 343358472 /nfs/dbraw/zinc/35/84/72/343358472.db2.gz UQUGGXOGMGFZRK-SSDOTTSWSA-N 0 1 291.336 2.403 20 5 CEBDMN CCc1nc(CNc2ccc([N+](=O)[O-])c(C(C)=O)c2)n[nH]1 ZINC000294997651 199292096 /nfs/dbraw/zinc/29/20/96/199292096.db2.gz RJZGGRLXCKQNPU-UHFFFAOYSA-N 0 1 289.295 2.090 20 5 CEBDMN COCC(COC)NCc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000449532500 282275051 /nfs/dbraw/zinc/27/50/51/282275051.db2.gz AKMPUJUNRZKIQB-UHFFFAOYSA-N 0 1 296.367 2.469 20 5 CEBDMN Cc1cc([N+](=O)[O-])ccc1N1CCC(c2nc[nH]n2)CC1 ZINC000081036582 344036636 /nfs/dbraw/zinc/03/66/36/344036636.db2.gz BFKWZXPGKOJZPD-UHFFFAOYSA-N 0 1 287.323 2.405 20 5 CEBDMN C[C@@H](CO)NCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000290553453 197748542 /nfs/dbraw/zinc/74/85/42/197748542.db2.gz BAVZVSUNGCLFFZ-LURJTMIESA-N 0 1 279.123 2.372 20 5 CEBDMN CC1CCN(CCNC(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000076300619 343887953 /nfs/dbraw/zinc/88/79/53/343887953.db2.gz BCGRSUJMTGHOKG-UHFFFAOYSA-N 0 1 297.380 2.118 20 5 CEBDMN CCCN(C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000049480638 362367051 /nfs/dbraw/zinc/36/70/51/362367051.db2.gz CEEJTOLGPIYUGG-JTQLQIEISA-N 0 1 265.313 2.264 20 5 CEBDMN CCOC[C@H]1CC[N@@H+](Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000093838621 344230633 /nfs/dbraw/zinc/23/06/33/344230633.db2.gz SQBZHZOKAKRGEI-NSHDSACASA-N 0 1 280.324 2.159 20 5 CEBDMN CC(C)[N@H+]1CC[C@@H](CNc2ncc([N+](=O)[O-])s2)C1 ZINC000226770749 344551491 /nfs/dbraw/zinc/55/14/91/344551491.db2.gz CWSZYOKNYWMQOG-VIFPVBQESA-N 0 1 270.358 2.194 20 5 CEBDMN C[C@H](O)CN(C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000051837640 362440379 /nfs/dbraw/zinc/44/03/79/362440379.db2.gz RNIIQEGWPQKPHO-QMMMGPOBSA-N 0 1 258.705 2.061 20 5 CEBDMN COc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H](CCO)C1 ZINC000051916536 362448120 /nfs/dbraw/zinc/44/81/20/362448120.db2.gz XWWJQXIUFDYJKL-LBPRGKRZSA-N 0 1 294.351 2.198 20 5 CEBDMN COCCNCc1cc(Br)c([N+](=O)[O-])s1 ZINC000602504906 347060278 /nfs/dbraw/zinc/06/02/78/347060278.db2.gz NJTXXESEUPLZIW-UHFFFAOYSA-N 0 1 295.158 2.155 20 5 CEBDMN CCc1[nH]nc(C(=O)N2CCC(C3CC3)CC2)c1[N+](=O)[O-] ZINC000590430250 345135313 /nfs/dbraw/zinc/13/53/13/345135313.db2.gz WVWJOQBTCSDVSW-UHFFFAOYSA-N 0 1 292.339 2.143 20 5 CEBDMN O=[N+]([O-])c1ccc2c(c1)CN(CCC1(O)CCC1)CC2 ZINC000591016047 345211323 /nfs/dbraw/zinc/21/13/23/345211323.db2.gz JMAWDAPHCLBTJE-UHFFFAOYSA-N 0 1 276.336 2.258 20 5 CEBDMN O=[N+]([O-])c1ccccc1NCc1nc([C@@H]2CCCN2)no1 ZINC000592356738 345344632 /nfs/dbraw/zinc/34/46/32/345344632.db2.gz HKAFQICNRWNJSE-JTQLQIEISA-N 0 1 289.295 2.014 20 5 CEBDMN CC(=O)NCCCSCc1cc(O)ccc1[N+](=O)[O-] ZINC000593188990 345450863 /nfs/dbraw/zinc/45/08/63/345450863.db2.gz UDXPLTQZQNXYRJ-UHFFFAOYSA-N 0 1 284.337 2.060 20 5 CEBDMN O=C([O-])C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])CC1CC1 ZINC000593331024 345467468 /nfs/dbraw/zinc/46/74/68/345467468.db2.gz CFYQPVKEADHWJM-HYXAFXHYSA-N 0 1 290.319 2.405 20 5 CEBDMN CC[C@@H](C(=O)[O-])[N@@H+](C)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000593331393 345467610 /nfs/dbraw/zinc/46/76/10/345467610.db2.gz IKUBUVUMSDTBRH-NSHDSACASA-N 0 1 266.297 2.198 20 5 CEBDMN CCC(C)(C)N1CCN(c2ncc([N+](=O)[O-])s2)CC1 ZINC000594591073 345653188 /nfs/dbraw/zinc/65/31/88/345653188.db2.gz KNGXXODYFKVUIO-UHFFFAOYSA-N 0 1 284.385 2.362 20 5 CEBDMN O=[N+]([O-])c1cc(CN[C@H]2C[C@@H](O)C23CCC3)cs1 ZINC000594990336 345722464 /nfs/dbraw/zinc/72/24/64/345722464.db2.gz XDEJZDRLMYPCKA-VHSXEESVSA-N 0 1 268.338 2.049 20 5 CEBDMN CN(CCCn1ccnc1)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595399631 345774822 /nfs/dbraw/zinc/77/48/22/345774822.db2.gz DSBSJIRBWASJQM-UHFFFAOYSA-N 0 1 292.314 2.453 20 5 CEBDMN COCC1(NCc2ccc(F)cc2[N+](=O)[O-])CCOCC1 ZINC000595498045 345796726 /nfs/dbraw/zinc/79/67/26/345796726.db2.gz AHMDINZHHUIATC-UHFFFAOYSA-N 0 1 298.314 2.019 20 5 CEBDMN CC[C@@H]1OCC[C@H]1NCc1ccc(F)cc1[N+](=O)[O-] ZINC000595533448 345804957 /nfs/dbraw/zinc/80/49/57/345804957.db2.gz MMHVXBMJPPMDAO-YPMHNXCESA-N 0 1 268.288 2.391 20 5 CEBDMN COc1ccc(CN2C[C@H](C)C(O)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000595749892 345865969 /nfs/dbraw/zinc/86/59/69/345865969.db2.gz NSLPMHTUPUFOKL-QWRGUYRKSA-N 0 1 294.351 2.052 20 5 CEBDMN COc1ccc([N+](=O)[O-])cc1CN1C[C@@H]2COC[C@]2(C)C1 ZINC000595756755 345868564 /nfs/dbraw/zinc/86/85/64/345868564.db2.gz WNUWSCGZRHVVPR-DOMZBBRYSA-N 0 1 292.335 2.072 20 5 CEBDMN O=[N+]([O-])c1cccc(F)c1CN[C@@H]1C[C@H](O)C12CCC2 ZINC000595777662 345874483 /nfs/dbraw/zinc/87/44/83/345874483.db2.gz IVSURCFISSLCOJ-OLZOCXBDSA-N 0 1 280.299 2.127 20 5 CEBDMN CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)[C@H](C)C(=O)[O-] ZINC000595882601 345905257 /nfs/dbraw/zinc/90/52/57/345905257.db2.gz MREGGXHNGXOCJV-MRVPVSSYSA-N 0 1 270.260 2.029 20 5 CEBDMN C[C@H]1CCCCN1CCNc1c(Cl)cncc1[N+](=O)[O-] ZINC000596078066 345934979 /nfs/dbraw/zinc/93/49/79/345934979.db2.gz ZIWJLQNBVHZAKE-JTQLQIEISA-N 0 1 298.774 2.351 20 5 CEBDMN CC(C)(C)N1CC[C@H](Nc2c(Cl)cncc2[N+](=O)[O-])C1 ZINC000596336068 346002820 /nfs/dbraw/zinc/00/28/20/346002820.db2.gz LQROOCDUOKVEAW-VIFPVBQESA-N 0 1 298.774 2.350 20 5 CEBDMN C[C@]1(NCc2ccc([N+](=O)[O-])cc2F)CCOC1 ZINC000336793135 365815157 /nfs/dbraw/zinc/81/51/57/365815157.db2.gz VOIGCNVJWAYCBU-LBPRGKRZSA-N 0 1 254.261 2.003 20 5 CEBDMN COc1ccc(CNCC(C)(C)F)cc1[N+](=O)[O-] ZINC000601136651 346765387 /nfs/dbraw/zinc/76/53/87/346765387.db2.gz IQROPBPUBCREFO-UHFFFAOYSA-N 0 1 256.277 2.441 20 5 CEBDMN Cc1cc(CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)n[nH]1 ZINC000609875791 347654378 /nfs/dbraw/zinc/65/43/78/347654378.db2.gz BYCRRWJFSHZRSC-UHFFFAOYSA-N 0 1 294.698 2.210 20 5 CEBDMN Cc1ccc([C@H](C)NC(=O)[C@H](C)N(C)C)cc1[N+](=O)[O-] ZINC000610636302 347697710 /nfs/dbraw/zinc/69/77/10/347697710.db2.gz NGULVSKZLZBCLR-QWRGUYRKSA-N 0 1 279.340 2.031 20 5 CEBDMN CN(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C1CCC1 ZINC000611272193 347761863 /nfs/dbraw/zinc/76/18/63/347761863.db2.gz GKUGOHKASMKBPI-UHFFFAOYSA-N 0 1 278.308 2.350 20 5 CEBDMN CC1(C)OCC[C@@H]1NCc1csc([N+](=O)[O-])c1 ZINC000336885526 365933011 /nfs/dbraw/zinc/93/30/11/365933011.db2.gz AUDLKAAOZFWGKT-VIFPVBQESA-N 0 1 256.327 2.313 20 5 CEBDMN O=[N+]([O-])c1cc2ccccc2nc1N1CCc2cn[nH]c2C1 ZINC000616062570 348436204 /nfs/dbraw/zinc/43/62/04/348436204.db2.gz WCWVSLVNAIWVBN-UHFFFAOYSA-N 0 1 295.302 2.429 20 5 CEBDMN CN(Cc1ccc(Cl)cc1[N+](=O)[O-])CC1CC(O)C1 ZINC000091491267 180170772 /nfs/dbraw/zinc/17/07/72/180170772.db2.gz KRTFIGRYLFSRNX-UHFFFAOYSA-N 0 1 284.743 2.451 20 5 CEBDMN C[C@H](NCC(=O)NC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000105895620 186085299 /nfs/dbraw/zinc/08/52/99/186085299.db2.gz FQSCCSBZWPRDJB-JTQLQIEISA-N 0 1 279.340 2.160 20 5 CEBDMN CCOc1ccc([N+](=O)[O-])cc1CN(CC)C[C@@H](C)O ZINC000352212268 219365647 /nfs/dbraw/zinc/36/56/47/219365647.db2.gz OBDLMQCNCLPJMY-LLVKDONJSA-N 0 1 282.340 2.196 20 5 CEBDMN COC[C@@H]1CCN(Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000352234999 219376396 /nfs/dbraw/zinc/37/63/96/219376396.db2.gz PWZDVDWTDCPGAI-SNVBAGLBSA-N 0 1 268.288 2.202 20 5 CEBDMN O=[N+]([O-])c1ccc(Cl)c(CN[C@@H]2CCOC2)c1 ZINC000122073036 187013954 /nfs/dbraw/zinc/01/39/54/187013954.db2.gz YTYXDZLUNWAULE-SECBINFHSA-N 0 1 256.689 2.127 20 5 CEBDMN O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc2cncn2c1 ZINC000339889163 215383229 /nfs/dbraw/zinc/38/32/29/215383229.db2.gz GYIVDTCJELZBKV-UHFFFAOYSA-N 0 1 282.259 2.495 20 5 CEBDMN CN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)C(C)(C)C ZINC000565028265 313789956 /nfs/dbraw/zinc/78/99/56/313789956.db2.gz GMCRZFQAXNLWMJ-UHFFFAOYSA-N 0 1 252.270 2.171 20 5 CEBDMN C[C@@H](O)CCN(C)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000133247606 366208452 /nfs/dbraw/zinc/20/84/52/366208452.db2.gz RVRKMAAAHMMFTC-SECBINFHSA-N 0 1 272.732 2.451 20 5 CEBDMN CCC[N@@H+](CC(=O)[O-])[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000086776081 283115149 /nfs/dbraw/zinc/11/51/49/283115149.db2.gz GADKOZNYAVRAJZ-JTQLQIEISA-N 0 1 266.297 2.452 20 5 CEBDMN NC(=O)C[C@@H](NCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000339533719 283291360 /nfs/dbraw/zinc/29/13/60/283291360.db2.gz BGXSNSTYFVVFCF-OAHLLOKOSA-N 0 1 299.330 2.301 20 5 CEBDMN O=[N+]([O-])c1cccc(F)c1NCc1n[nH]c(C2CC2)n1 ZINC000294888715 199232560 /nfs/dbraw/zinc/23/25/60/199232560.db2.gz FXWRULDKSOBRGX-UHFFFAOYSA-N 0 1 277.259 2.342 20 5 CEBDMN Cc1cc([N+](=O)[O-])ccc1CN[C@H](C)C(=O)N1CCCC1 ZINC000341539883 216006564 /nfs/dbraw/zinc/00/65/64/216006564.db2.gz WPPTXZKKBNQSGB-GFCCVEGCSA-N 0 1 291.351 2.004 20 5 CEBDMN Cc1cc(NCCCc2nc[nH]n2)ccc1[N+](=O)[O-] ZINC000080588257 363672012 /nfs/dbraw/zinc/67/20/12/363672012.db2.gz DRCQRQFKAVEKPJ-UHFFFAOYSA-N 0 1 261.285 2.066 20 5 CEBDMN C[C@@H](C1CC1)N(C)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000299260666 200652496 /nfs/dbraw/zinc/65/24/96/200652496.db2.gz GQSJIPBISLSJEJ-QMMMGPOBSA-N 0 1 288.307 2.342 20 5 CEBDMN COc1cc(CN2C[C@H](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000339571492 366707675 /nfs/dbraw/zinc/70/76/75/366707675.db2.gz KHOXMVSEXOUDAQ-UWVGGRQHSA-N 0 1 250.298 2.444 20 5 CEBDMN Cc1ccc([C@H](C)NCC(=O)NCC2CC2)cc1[N+](=O)[O-] ZINC000181827456 189307409 /nfs/dbraw/zinc/30/74/09/189307409.db2.gz HOXGLXHGHXMQAL-NSHDSACASA-N 0 1 291.351 2.080 20 5 CEBDMN CCN(C)C(=O)CN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000181841421 189307942 /nfs/dbraw/zinc/30/79/42/189307942.db2.gz PPATYOQEEXSWSQ-NSHDSACASA-N 0 1 279.340 2.032 20 5 CEBDMN C/C=C/C[C@H](CO)NCc1csc([N+](=O)[O-])c1 ZINC000185813768 189422477 /nfs/dbraw/zinc/42/24/77/189422477.db2.gz TUKCFGGSGWPXAH-VMZHVLLKSA-N 0 1 256.327 2.073 20 5 CEBDMN C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H](C(=O)[O-])C1 ZINC000086790329 363838442 /nfs/dbraw/zinc/83/84/42/363838442.db2.gz WUFCKYWDSUJLGA-ZJUUUORDSA-N 0 1 264.281 2.062 20 5 CEBDMN O=C(N[C@@H]1C[C@H]1C1CCCCC1)c1n[nH]cc1[N+](=O)[O-] ZINC000119619607 365300561 /nfs/dbraw/zinc/30/05/61/365300561.db2.gz GOLKXWFZZXPUDX-VHSXEESVSA-N 0 1 278.312 2.017 20 5 CEBDMN O=C(N[C@@H]1C[C@@H]1C1CCCCC1)c1n[nH]cc1[N+](=O)[O-] ZINC000119619321 365300573 /nfs/dbraw/zinc/30/05/73/365300573.db2.gz GOLKXWFZZXPUDX-NXEZZACHSA-N 0 1 278.312 2.017 20 5 CEBDMN C[C@H]1CCC[C@@H](CCNC(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000160051221 366968772 /nfs/dbraw/zinc/96/87/72/366968772.db2.gz LSINPRMKHWAIDY-UWVGGRQHSA-N 0 1 280.328 2.264 20 5 CEBDMN C[NH+](C)Cc1cccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c1 ZINC000340720502 367001360 /nfs/dbraw/zinc/00/13/60/367001360.db2.gz PJTYFESQNLCAQE-UHFFFAOYSA-N 0 1 288.307 2.237 20 5 CEBDMN CCc1[nH]nc(C(=O)N2CCCC[C@H]2CC)c1[N+](=O)[O-] ZINC000171366614 367528905 /nfs/dbraw/zinc/52/89/05/367528905.db2.gz DACSWYQOZJYEBF-SECBINFHSA-N 0 1 280.328 2.285 20 5 CEBDMN O=C(Nc1cccc([N+](=O)[O-])c1)[C@H]1CCCc2[nH]ncc21 ZINC000342736414 367508201 /nfs/dbraw/zinc/50/82/01/367508201.db2.gz QFPGVWQIGXYXBW-NSHDSACASA-N 0 1 286.291 2.377 20 5 CEBDMN C[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])c1c(F)cccc1F ZINC000343187499 367698534 /nfs/dbraw/zinc/69/85/34/367698534.db2.gz HTBRKDNJRPYUGU-LURJTMIESA-N 0 1 296.233 2.087 20 5 CEBDMN Cc1sc(C(=O)N[C@@H]2CCCN(C)[C@H]2C)cc1[N+](=O)[O-] ZINC000343542538 367873691 /nfs/dbraw/zinc/87/36/91/367873691.db2.gz YHDQBHBYSWWNCI-WCBMZHEXSA-N 0 1 297.380 2.177 20 5 CEBDMN CN(CC(=O)Nc1ccccc1[N+](=O)[O-])C1CCC1 ZINC000173617845 367927668 /nfs/dbraw/zinc/92/76/68/367927668.db2.gz OUSOTPRJZPFWNT-UHFFFAOYSA-N 0 1 263.297 2.018 20 5 CEBDMN O=[N+]([O-])c1cnn(CCN2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000174809080 368069895 /nfs/dbraw/zinc/06/98/95/368069895.db2.gz CUYFMQABEGPOPG-SECBINFHSA-N 0 1 292.261 2.066 20 5 CEBDMN C[C@H](CC(F)(F)F)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000345480178 368292371 /nfs/dbraw/zinc/29/23/71/368292371.db2.gz IADCRBZJNVLPBI-ZCFIWIBFSA-N 0 1 292.213 2.371 20 5 CEBDMN CCOc1ccc([N+](=O)[O-])cc1CN[C@@H]1C[C@@H](O)C1(C)C ZINC000189338629 369500255 /nfs/dbraw/zinc/50/02/55/369500255.db2.gz GXNASLBRVIPJJQ-ZIAGYGMSSA-N 0 1 294.351 2.243 20 5 CEBDMN COCC1CCN(Cc2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000352426522 369727002 /nfs/dbraw/zinc/72/70/02/369727002.db2.gz VJKKGBWDWPNPPD-UHFFFAOYSA-N 0 1 294.351 2.462 20 5 CEBDMN C[C@@H]1C[C@H](C)CN1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000354204352 370259429 /nfs/dbraw/zinc/25/94/29/370259429.db2.gz FMAAGSNUHXTLGS-NWDGAFQWSA-N 0 1 291.351 2.288 20 5 CEBDMN O=[N+]([O-])c1ccc(NCCN2CCSCC2)cc1 ZINC000226230613 370330884 /nfs/dbraw/zinc/33/08/84/370330884.db2.gz NJGRHQGQTADSFX-UHFFFAOYSA-N 0 1 267.354 2.056 20 5 CEBDMN C[C@]1(O)CCCN(Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000230375734 370458567 /nfs/dbraw/zinc/45/85/67/370458567.db2.gz NVEQTQIVRWWBEH-AWEZNQCLSA-N 0 1 282.315 2.471 20 5 CEBDMN C[C@@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)[C@@H]1C(=O)[O-] ZINC000235323113 370560803 /nfs/dbraw/zinc/56/08/03/370560803.db2.gz PJBSTHPKBGDIDV-MFKMUULPSA-N 0 1 278.308 2.280 20 5 CEBDMN CCC[C@@H]1CNCCN1C(=O)c1ccc([N+](=O)[O-])cc1C ZINC000359219046 371380085 /nfs/dbraw/zinc/38/00/85/371380085.db2.gz HSBHTMVJOWTKEH-CYBMUJFWSA-N 0 1 291.351 2.117 20 5 CEBDMN O=C(Nc1nc(C2CC2)c[nH]1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000359379316 371453682 /nfs/dbraw/zinc/45/36/82/371453682.db2.gz LUTVPXFRXKUOEL-UHFFFAOYSA-N 0 1 288.263 2.153 20 5 CEBDMN CCNC(=O)[C@H](C)N[C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000268701941 372185807 /nfs/dbraw/zinc/18/58/07/372185807.db2.gz BUGSPRSTWAFZPI-QWRGUYRKSA-N 0 1 279.340 2.078 20 5 CEBDMN C[C@@H]1[C@H](C)SCCN1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269621880 372509299 /nfs/dbraw/zinc/50/92/99/372509299.db2.gz BDOUUKOJQLARCM-SUNKGSAMSA-N 0 1 296.392 2.454 20 5 CEBDMN COc1ccccc1[C@@H]1CCCN1C(=O)[C@H]1CC1[N+](=O)[O-] ZINC000363094058 372626520 /nfs/dbraw/zinc/62/65/20/372626520.db2.gz QROYAJMQTZPPTP-RWMBFGLXSA-N 0 1 290.319 2.024 20 5 CEBDMN Cc1ccc([C@]2(C)CCN(C(=O)[C@H]3CC3[N+](=O)[O-])C2)cc1 ZINC000364314075 372725245 /nfs/dbraw/zinc/72/52/45/372725245.db2.gz KNMNAVAGRUVCOE-OFQRWUPVSA-N 0 1 288.347 2.150 20 5 CEBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@@H](CC2CCCC2)C1 ZINC000364592085 372763390 /nfs/dbraw/zinc/76/33/90/372763390.db2.gz QMMCZCYORWOFJN-XQQFMLRXSA-N 0 1 266.341 2.080 20 5 CEBDMN O=C(NCc1ccc(-c2ccncc2)cc1)[C@H]1CC1[N+](=O)[O-] ZINC000372660516 374175650 /nfs/dbraw/zinc/17/56/50/374175650.db2.gz PQEAZRWNZXNFMN-GJZGRUSLSA-N 0 1 297.314 2.030 20 5 CEBDMN Cc1ccc(NC(=O)[C@H]2C[C@@H]2[N+](=O)[O-])cc1-c1ncco1 ZINC000378164950 375033952 /nfs/dbraw/zinc/03/39/52/375033952.db2.gz BZYJAWHAZWSXAS-RYUDHWBXSA-N 0 1 287.275 2.254 20 5 CEBDMN Cn1cc2c(n1)CCC[C@H]2NCc1cccc([N+](=O)[O-])c1 ZINC000280142181 375105866 /nfs/dbraw/zinc/10/58/66/375105866.db2.gz PRMYTPHXJYPCKK-CQSZACIVSA-N 0 1 286.335 2.496 20 5 CEBDMN CC(C)(C)[C@H]1CCC[C@@H]1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000412807774 375708111 /nfs/dbraw/zinc/70/81/11/375708111.db2.gz GGVSDSQPJHRPRI-IUCAKERBSA-N 0 1 280.328 2.263 20 5 CEBDMN CC(C)(C)[C@@H]1CCC[C@H]1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000412807776 375708797 /nfs/dbraw/zinc/70/87/97/375708797.db2.gz GGVSDSQPJHRPRI-RKDXNWHRSA-N 0 1 280.328 2.263 20 5 CEBDMN COCC1(NCc2csc([N+](=O)[O-])c2)CCC1 ZINC000283880140 375776938 /nfs/dbraw/zinc/77/69/38/375776938.db2.gz HCKQNYMGWKPJFK-UHFFFAOYSA-N 0 1 256.327 2.315 20 5 CEBDMN CC(C)NC(=O)[C@@H](C)NC/C=C\c1ccccc1[N+](=O)[O-] ZINC000414541744 375844300 /nfs/dbraw/zinc/84/43/00/375844300.db2.gz JNVMNRZXHADXPG-XYLWRLHESA-N 0 1 291.351 2.111 20 5 CEBDMN CC(=O)c1cc(NC2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000286261847 375891042 /nfs/dbraw/zinc/89/10/42/375891042.db2.gz VWRPJLDZIGCKEC-UHFFFAOYSA-N 0 1 277.324 2.304 20 5 CEBDMN O=C(NC[C@@H]1CCCSC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000288007937 376358335 /nfs/dbraw/zinc/35/83/35/376358335.db2.gz IZQGOMVMDGHVTH-VIFPVBQESA-N 0 1 296.348 2.173 20 5 CEBDMN O=C1C[C@H]2CC[C@@H](C1)N2CCOc1ccc([N+](=O)[O-])cc1 ZINC000289638029 376428935 /nfs/dbraw/zinc/42/89/35/376428935.db2.gz WKYUNJVJRYQXGA-BETUJISGSA-N 0 1 290.319 2.170 20 5 CEBDMN O=[N+]([O-])c1ccc([O-])cc1C[N@@H+]1CCCC[C@H]1C1(O)CC1 ZINC000556780610 376482842 /nfs/dbraw/zinc/48/28/42/376482842.db2.gz XXPLVFXMAIPGRN-AWEZNQCLSA-N 0 1 292.335 2.180 20 5 CEBDMN COc1ccc([N+](=O)[O-])cc1CN1CCCC[C@H]1[C@H](C)O ZINC000264479339 190112997 /nfs/dbraw/zinc/11/29/97/190112997.db2.gz ZNDRCLFTWARLEE-FZMZJTMJSA-N 0 1 294.351 2.339 20 5 CEBDMN CC[C@@H]1CN(C)CCN1Cc1ccc([N+](=O)[O-])cc1F ZINC000560618720 376771231 /nfs/dbraw/zinc/77/12/31/376771231.db2.gz GOBSXSBKHALMMV-GFCCVEGCSA-N 0 1 281.331 2.260 20 5 CEBDMN CCc1nc(CN[C@@H](C)c2cc([N+](=O)[O-])ccc2C)n[nH]1 ZINC000562572677 376936654 /nfs/dbraw/zinc/93/66/54/376936654.db2.gz OOXTWKUTGPUWLH-JTQLQIEISA-N 0 1 289.339 2.435 20 5 CEBDMN C[N@H+](Cc1cc([O-])ccc1[N+](=O)[O-])C[C@@H]1CCCC[C@H]1O ZINC000330461094 377143703 /nfs/dbraw/zinc/14/37/03/377143703.db2.gz WOALZPZVTNPINM-XHDPSFHLSA-N 0 1 294.351 2.283 20 5 CEBDMN CCOc1cc(CN2CC[C@@H](C)[C@H](O)C2)ccc1[N+](=O)[O-] ZINC000331154013 377305472 /nfs/dbraw/zinc/30/54/72/377305472.db2.gz IZXGOXRLXKSJNI-BXUZGUMPSA-N 0 1 294.351 2.196 20 5 CEBDMN Cc1nc(CN[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)n[nH]1 ZINC000293296305 377508764 /nfs/dbraw/zinc/50/87/64/377508764.db2.gz URKLJIBSKWNBGX-SECBINFHSA-N 0 1 275.312 2.181 20 5 CEBDMN Cc1[nH]nc(C(=O)N2[C@H](C)C[C@H]3CCCC[C@@H]32)c1[N+](=O)[O-] ZINC000265579748 190190951 /nfs/dbraw/zinc/19/09/51/190190951.db2.gz IFEJKHNBYDVOLS-IEBDPFPHSA-N 0 1 292.339 2.420 20 5 CEBDMN CCN1CCN(Cc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000167452419 249322351 /nfs/dbraw/zinc/32/23/51/249322351.db2.gz DMFBPCIGUVELEA-UHFFFAOYSA-N 0 1 263.341 2.041 20 5 CEBDMN CC(C)(C)NC(=O)CN[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000565213300 377608070 /nfs/dbraw/zinc/60/80/70/377608070.db2.gz AFURWTHVIULMFD-GFCCVEGCSA-N 0 1 291.351 2.086 20 5 CEBDMN CC[C@H](C)[N@@H+](CC(=O)[O-])Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000566073164 377720210 /nfs/dbraw/zinc/72/02/10/377720210.db2.gz DMFCLZATDQXKKV-JTQLQIEISA-N 0 1 296.323 2.289 20 5 CEBDMN CN(CCc1ccccc1[N+](=O)[O-])Cc1cccnc1N ZINC000295343756 378113414 /nfs/dbraw/zinc/11/34/14/378113414.db2.gz QDABFJZKLRMBPO-UHFFFAOYSA-N 0 1 286.335 2.247 20 5 CEBDMN CC(F)(F)CCNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000295501141 378186229 /nfs/dbraw/zinc/18/62/29/378186229.db2.gz KFYZSPQTAUYKHV-UHFFFAOYSA-N 0 1 298.249 2.246 20 5 CEBDMN CON1CCC(N(C)Cc2csc([N+](=O)[O-])c2)CC1 ZINC000453618818 378921604 /nfs/dbraw/zinc/92/16/04/378921604.db2.gz JUOPIDQUHJDZQG-UHFFFAOYSA-N 0 1 285.369 2.114 20 5 CEBDMN Cc1[nH]nc(C(=O)N(C)[C@H](C)c2ccccc2)c1[N+](=O)[O-] ZINC000299593065 379060828 /nfs/dbraw/zinc/06/08/28/379060828.db2.gz ZZHVYFBXFZQDPB-SNVBAGLBSA-N 0 1 288.307 2.460 20 5 CEBDMN CC[C@H](C)N(CCO)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000347469502 218247952 /nfs/dbraw/zinc/24/79/52/218247952.db2.gz GRKUOILQOFEBNX-JTQLQIEISA-N 0 1 292.339 2.064 20 5 CEBDMN CN(c1ncc([N+](=O)[O-])cc1Cl)[C@@H]1CCCN(C)C1 ZINC000267132842 190305786 /nfs/dbraw/zinc/30/57/86/190305786.db2.gz WAEPNUSBAHWKPB-SECBINFHSA-N 0 1 284.747 2.174 20 5 CEBDMN O=[N+]([O-])c1ccc(CN2CC[C@](O)(C3CC3)C2)c(F)c1 ZINC000489277879 380171355 /nfs/dbraw/zinc/17/13/55/380171355.db2.gz MRESPRHTZGBACK-CQSZACIVSA-N 0 1 280.299 2.081 20 5 CEBDMN COCCO[C@H]1CCN([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000275560671 285114277 /nfs/dbraw/zinc/11/42/77/285114277.db2.gz NRSQXRMOXSIISF-OLZOCXBDSA-N 0 1 294.351 2.393 20 5 CEBDMN C[C@@H]1C[C@@H](C)N(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000354204354 220606886 /nfs/dbraw/zinc/60/68/86/220606886.db2.gz FMAAGSNUHXTLGS-VXGBXAGGSA-N 0 1 291.351 2.288 20 5 CEBDMN CC[C@@H]1CN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCCO1 ZINC000281453634 195246831 /nfs/dbraw/zinc/24/68/31/195246831.db2.gz QSULKTVAPOTZJM-HUUCEWRRSA-N 0 1 294.351 2.129 20 5 CEBDMN CC(=O)N[C@H]1CCN([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000420955339 394453654 /nfs/dbraw/zinc/45/36/54/394453654.db2.gz LIEQKXSWWGGIPI-AAEUAGOBSA-N 0 1 291.351 2.175 20 5 CEBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)CC1CC1 ZINC000049238110 394544345 /nfs/dbraw/zinc/54/43/45/394544345.db2.gz MYKXWQXVVZBZAV-UHFFFAOYSA-N 0 1 277.324 2.184 20 5 CEBDMN CN1CC[C@@H]2CCN(c3c(F)cc([N+](=O)[O-])cc3F)[C@H]2C1 ZINC000272250243 394768651 /nfs/dbraw/zinc/76/86/51/394768651.db2.gz YHGWSJHHMDEPNF-RNCFNFMXSA-N 0 1 297.305 2.403 20 5 CEBDMN C[C@H]1CCOCCN1Cc1ccc([N+](=O)[O-])cc1 ZINC000362474268 394862151 /nfs/dbraw/zinc/86/21/51/394862151.db2.gz RBETXJNSGIYIDC-NSHDSACASA-N 0 1 250.298 2.206 20 5 CEBDMN CCC[C@H]1CNCCN1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000415510803 394939993 /nfs/dbraw/zinc/93/99/93/394939993.db2.gz ZUZLPDOBTRBOFH-ZDUSSCGKSA-N 0 1 292.339 2.201 20 5 CEBDMN CCN1CCN(c2nc(C)cc(C)c2[N+](=O)[O-])[C@H](C)C1 ZINC000343270327 395035159 /nfs/dbraw/zinc/03/51/59/395035159.db2.gz LYAXDLJFEMPCJN-GFCCVEGCSA-N 0 1 278.356 2.137 20 5 CEBDMN CC(C)[C@@H](CC(F)(F)F)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000438618082 395227231 /nfs/dbraw/zinc/22/72/31/395227231.db2.gz IRMMMKQNQJGKMD-ZCFIWIBFSA-N 0 1 294.233 2.025 20 5 CEBDMN CCCC[N@@H+](C)CCNc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000566294405 395510717 /nfs/dbraw/zinc/51/07/17/395510717.db2.gz ZDNALYIZJACXCB-UHFFFAOYSA-N 0 1 295.339 2.437 20 5 CEBDMN C[C@@H](CC1CCCCC1)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000446723547 395497217 /nfs/dbraw/zinc/49/72/17/395497217.db2.gz SWFBJHADNNWSSC-VIFPVBQESA-N 0 1 280.328 2.407 20 5 CEBDMN CC(C)C[C@@H](N)c1noc(-c2ccc([N+](=O)[O-])cn2)n1 ZINC000574451737 395630134 /nfs/dbraw/zinc/63/01/34/395630134.db2.gz LCUMHRHGTZVSAV-SECBINFHSA-N 0 1 277.284 2.086 20 5 CEBDMN CCC[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])C1CCCC1 ZINC000458329062 395644055 /nfs/dbraw/zinc/64/40/55/395644055.db2.gz BXNSGPGZYMVQNG-SNVBAGLBSA-N 0 1 280.328 2.407 20 5 CEBDMN O=C(N[C@@H]1CC[C@H](c2ccccc2)C1)[C@H]1CC1[N+](=O)[O-] ZINC000367486589 156195443 /nfs/dbraw/zinc/19/54/43/156195443.db2.gz SOYIKMMWMWOEJE-RFQIPJPRSA-N 0 1 274.320 2.104 20 5 CEBDMN CCN1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000285666124 196359671 /nfs/dbraw/zinc/35/96/71/196359671.db2.gz MKAJKRRNFABDAK-LLVKDONJSA-N 0 1 292.339 2.153 20 5 CEBDMN Cc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)cn1 ZINC000430983751 419408696 /nfs/dbraw/zinc/40/86/96/419408696.db2.gz IIHFAVHMCOJEHL-UHFFFAOYSA-N 0 1 293.304 2.099 20 5 CEBDMN C[C@@H]1CC[C@H](CNCc2csc([N+](=O)[O-])c2)O1 ZINC000398129630 270357347 /nfs/dbraw/zinc/35/73/47/270357347.db2.gz KCQGOHOBVJKWJY-PSASIEDQSA-N 0 1 256.327 2.313 20 5 CEBDMN COc1cc([N+](=O)[O-])ccc1CN(C[C@@H](C)O)C(C)C ZINC000430215713 271363468 /nfs/dbraw/zinc/36/34/68/271363468.db2.gz CPXRGFOTDBBBNR-LLVKDONJSA-N 0 1 282.340 2.195 20 5 CEBDMN CC[C@H]1CCCN1C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000433765496 271553130 /nfs/dbraw/zinc/55/31/30/271553130.db2.gz KZERFJBCXJRMPQ-VIFPVBQESA-N 0 1 280.328 2.456 20 5 CEBDMN COc1ccc([N+](=O)[O-])c(N2CCN(C3CCC3)CC2)c1 ZINC000266466592 274118312 /nfs/dbraw/zinc/11/83/12/274118312.db2.gz ZOOHRRIURMOEEX-UHFFFAOYSA-N 0 1 291.351 2.278 20 5 CEBDMN CC(C)[C@](C)(NCc1cc(Cl)ccc1[N+](=O)[O-])C(N)=O ZINC000297681099 275718433 /nfs/dbraw/zinc/71/84/33/275718433.db2.gz PEFXYRBNMYXVEE-ZDUSSCGKSA-N 0 1 299.758 2.238 20 5 CEBDMN C[C@@H](N[C@H](C)c1ccc([N+](=O)[O-])cc1)C(=O)N1CCCC1 ZINC000135678232 278379086 /nfs/dbraw/zinc/37/90/86/278379086.db2.gz JJUMJNBSGFGRLW-VXGBXAGGSA-N 0 1 291.351 2.256 20 5 CEBDMN Cc1nc(N2CCCC[C@@H]2c2nnc[nH]2)ccc1[N+](=O)[O-] ZINC000294871028 279089832 /nfs/dbraw/zinc/08/98/32/279089832.db2.gz DEGGSBQOYYFBOX-LLVKDONJSA-N 0 1 288.311 2.148 20 5 CEBDMN Cc1cc(CC(=O)Nc2cccc([N+](=O)[O-])c2C)n[nH]1 ZINC000133767352 280005012 /nfs/dbraw/zinc/00/50/12/280005012.db2.gz HKUYSAUBMUTOKL-UHFFFAOYSA-N 0 1 274.280 2.116 20 5 CEBDMN C[C@H](O)[C@@H]1CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000136321040 280060470 /nfs/dbraw/zinc/06/04/70/280060470.db2.gz ZLDUMZZZAXAEEV-NWDGAFQWSA-N 0 1 264.325 2.188 20 5 CEBDMN CC[C@@H](C)[N@@H+](CCc1ccc([N+](=O)[O-])cc1)CC(=O)[O-] ZINC000037598613 280103534 /nfs/dbraw/zinc/10/35/34/280103534.db2.gz BOKBHTAVVQFBSH-LLVKDONJSA-N 0 1 280.324 2.322 20 5 CEBDMN C[C@@H]1C[C@@H](Nc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC[N@H+]1C ZINC000211473174 280206926 /nfs/dbraw/zinc/20/69/26/280206926.db2.gz PACMWJBZUYSBLS-KOLCDFICSA-N 0 1 293.323 2.188 20 5 CEBDMN Cc1[nH]nc(C(=O)N2CC3(CCC3)C[C@H]2C)c1[N+](=O)[O-] ZINC000432612817 281333373 /nfs/dbraw/zinc/33/33/73/281333373.db2.gz UDEDOOSEOTUUEB-MRVPVSSYSA-N 0 1 278.312 2.031 20 5 CEBDMN CCn1cccc(CNCc2ccc([N+](=O)[O-])cc2)c1=O ZINC000433184071 281374675 /nfs/dbraw/zinc/37/46/75/281374675.db2.gz WTPXXCBFACOKQB-UHFFFAOYSA-N 0 1 287.319 2.066 20 5 CEBDMN C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)CCC(=O)[O-] ZINC000086774929 290266814 /nfs/dbraw/zinc/26/68/14/290266814.db2.gz RTVPIXMFPBHIHN-SECBINFHSA-N 0 1 252.270 2.062 20 5 CEBDMN Cc1cnc(N2CCN(C)[C@@H](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000487065042 290330028 /nfs/dbraw/zinc/33/00/28/290330028.db2.gz QCQCHUFIKBTYQB-CYBMUJFWSA-N 0 1 278.356 2.075 20 5 CEBDMN Cc1cnc(N2CCCC[C@@H]2c2nnc[nH]2)c([N+](=O)[O-])c1 ZINC000294900112 302348791 /nfs/dbraw/zinc/34/87/91/302348791.db2.gz HCNPBTQTQKZWCF-SNVBAGLBSA-N 0 1 288.311 2.148 20 5 CEBDMN CCN(CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C1CCC1 ZINC000533298905 313366772 /nfs/dbraw/zinc/36/67/72/313366772.db2.gz PVACLESWPWMNES-UHFFFAOYSA-N 0 1 291.351 2.432 20 5 CEBDMN C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@@H](C)N1 ZINC000153451917 534423488 /nfs/dbraw/zinc/42/34/88/534423488.db2.gz SYDLLADKLMMXBQ-RKDXNWHRSA-N 0 1 297.742 2.071 20 5 CEBDMN CCOCCNCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000050443471 519967567 /nfs/dbraw/zinc/96/75/67/519967567.db2.gz WRZCFQKOAWJKIH-UHFFFAOYSA-N 0 1 258.705 2.374 20 5 CEBDMN CCCN(C)[C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000069091998 521510863 /nfs/dbraw/zinc/51/08/63/521510863.db2.gz GOGPSJHLUDVAHJ-JTQLQIEISA-N 0 1 295.339 2.272 20 5 CEBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@H]1c1ccc(Cl)cc1 ZINC000363419968 526509374 /nfs/dbraw/zinc/50/93/74/526509374.db2.gz RXHHMAZHYNMMHW-GRYCIOLGSA-N 0 1 280.711 2.279 20 5 CEBDMN C[N@@H+](Cc1cccc([N+](=O)[O-])c1)CC(C)(C)CNC(=O)[O-] ZINC000828381790 603544663 /nfs/dbraw/zinc/54/46/63/603544663.db2.gz ALNNRZMQZQBRKR-UHFFFAOYSA-N 0 1 295.339 2.320 20 5 CEBDMN C[N@H+](CC(=O)[O-])Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000820569458 604539650 /nfs/dbraw/zinc/53/96/50/604539650.db2.gz QSOUUTFQAGSDSW-UHFFFAOYSA-N 0 1 290.275 2.371 20 5 CEBDMN C[N@@H+](CC(=O)[O-])Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000820569458 604539655 /nfs/dbraw/zinc/53/96/55/604539655.db2.gz QSOUUTFQAGSDSW-UHFFFAOYSA-N 0 1 290.275 2.371 20 5 CEBDMN O=C([O-])C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])C1CC1 ZINC000901975551 634390184 /nfs/dbraw/zinc/39/01/84/634390184.db2.gz QVFMABGOPSCRIQ-HYXAFXHYSA-N 0 1 276.292 2.157 20 5 CEBDMN Cc1ccc([C@H](C)NC(=O)CN2CCCC2)cc1[N+](=O)[O-] ZINC000820634600 634482722 /nfs/dbraw/zinc/48/27/22/634482722.db2.gz TXPBVLRKQCYWKT-LBPRGKRZSA-N 0 1 291.351 2.176 20 5 CEBDMN CC(C)(C)C[C@H]1CCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000107348051 628872805 /nfs/dbraw/zinc/87/28/05/628872805.db2.gz AYMNEUZOXABTIE-GMTAPVOTSA-N 0 1 254.330 2.079 20 5 CEBDMN CCN1CC[C@H]1CNC(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000893869456 629031991 /nfs/dbraw/zinc/03/19/91/629031991.db2.gz AFTLLEHSBQJLEG-LBPRGKRZSA-N 0 1 291.351 2.036 20 5 CEBDMN O=C(OCc1ccc(F)c(Cl)c1)[C@@H]1CC1[N+](=O)[O-] ZINC000840672520 629313685 /nfs/dbraw/zinc/31/36/85/629313685.db2.gz ATXHTWGFCHEMDS-GMSGAONNSA-N 0 1 273.647 2.188 20 5 CEBDMN C[C@@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccccc1F ZINC000840673074 629348842 /nfs/dbraw/zinc/34/88/42/629348842.db2.gz QOQMVVCEZWBYEE-BCMRRPTOSA-N 0 1 253.229 2.095 20 5 CEBDMN CN1C[C@H]2CC[C@@H](C1)N2c1nc2ccccc2cc1[N+](=O)[O-] ZINC000894879293 629713271 /nfs/dbraw/zinc/71/32/71/629713271.db2.gz RZOHPAIVCRQYER-BETUJISGSA-N 0 1 298.346 2.426 20 5 CEBDMN O=[N+]([O-])c1ccccc1/C=C\CN1CCCn2nncc2C1 ZINC000895757078 630332457 /nfs/dbraw/zinc/33/24/57/630332457.db2.gz PNIBMWYOFZDZTD-UTCJRWHESA-N 0 1 299.334 2.105 20 5 CEBDMN COc1c(O)ccc(CN2CCC[C@H](CF)C2)c1[N+](=O)[O-] ZINC000896000695 630432070 /nfs/dbraw/zinc/43/20/70/630432070.db2.gz YCQVDPMXHNIDAA-SNVBAGLBSA-N 0 1 298.314 2.491 20 5 CEBDMN Cc1nc([C@H](C)OC(=O)c2cccc(C)c2[N+](=O)[O-])n[nH]1 ZINC000839967796 631431154 /nfs/dbraw/zinc/43/11/54/631431154.db2.gz FAZYOBFBOAYAHU-QMMMGPOBSA-N 0 1 290.279 2.248 20 5 CEBDMN Cc1nc([C@@H](C)OC(=O)c2ccc([N+](=O)[O-])c(C)c2)n[nH]1 ZINC000840012270 631589962 /nfs/dbraw/zinc/58/99/62/631589962.db2.gz OYTWUVJEYACVPF-MRVPVSSYSA-N 0 1 290.279 2.248 20 5 CEBDMN Cc1nn(CN2C[C@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2)cc1[N+](=O)[O-] ZINC000840116679 631871808 /nfs/dbraw/zinc/87/18/08/631871808.db2.gz QGUSSJGQDVHAOD-OSFYFWSMSA-N 0 1 288.351 2.201 20 5 CEBDMN Cc1nn(CN2CCC[C@@H](C3CC3)C2)c(C)c1[N+](=O)[O-] ZINC000808226624 631938574 /nfs/dbraw/zinc/93/85/74/631938574.db2.gz GQBIJMOBNKFCHM-CYBMUJFWSA-N 0 1 278.356 2.488 20 5 CEBDMN CC(=O)OCCCSCc1cc(O)ccc1[N+](=O)[O-] ZINC000840207893 632268163 /nfs/dbraw/zinc/26/81/63/632268163.db2.gz YOZLGGCVIVETPX-UHFFFAOYSA-N 0 1 285.321 2.487 20 5 CEBDMN CCOc1cc(CNCC[N+](=O)[O-])ccc1OC(F)F ZINC000905051332 635788851 /nfs/dbraw/zinc/78/88/51/635788851.db2.gz BVUBSWZQPFRGGF-UHFFFAOYSA-N 0 1 290.266 2.053 20 5 CEBDMN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])[C@H]1CCCc2ccccc21 ZINC000840252579 632521540 /nfs/dbraw/zinc/52/15/40/632521540.db2.gz GWZCGNBWEXVFSC-HZSPNIEDSA-N 0 1 274.320 2.188 20 5 CEBDMN Cc1cccc(OC(F)F)c1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000840306349 632764925 /nfs/dbraw/zinc/76/49/25/632764925.db2.gz XAHPFXLLHOYHEA-HTQZYQBOSA-N 0 1 286.234 2.200 20 5 CEBDMN O=c1cc(C2CCOCC2)[nH]n1-c1cccc([N+](=O)[O-])c1 ZINC000899346140 632793136 /nfs/dbraw/zinc/79/31/36/632793136.db2.gz CQZZGJKCCDUKLI-UHFFFAOYSA-N 0 1 289.291 2.114 20 5 CEBDMN Cc1ccnc(CNC[C@@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000819332733 634144443 /nfs/dbraw/zinc/14/44/43/634144443.db2.gz CAEHDFAYSIVZSR-OAHLLOKOSA-N 0 1 287.319 2.121 20 5 CEBDMN CC(C)N1CCC[C@@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000901515711 634171594 /nfs/dbraw/zinc/17/15/94/634171594.db2.gz AHFYKTWZGPGNEV-CYBMUJFWSA-N 0 1 277.324 2.406 20 5 CEBDMN CCOc1ccc([N+](=O)[O-])cc1NC(=O)CN(CC)CC ZINC000820002741 634310489 /nfs/dbraw/zinc/31/04/89/634310489.db2.gz XNXUGKKEHTUMDA-UHFFFAOYSA-N 0 1 295.339 2.274 20 5 CEBDMN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1C[C@@H](C)N[C@@H](C)C1 ZINC000876530682 650307138 /nfs/dbraw/zinc/30/71/38/650307138.db2.gz PODVFUYBNXZQSY-PHIMTYICSA-N 0 1 291.351 2.034 20 5 CEBDMN C[C@]1(C2CCCCC2)CCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000831202920 637253693 /nfs/dbraw/zinc/25/36/93/637253693.db2.gz QTSDRIGAPUVMML-YRGRVCCFSA-N 0 1 266.341 2.223 20 5 CEBDMN O=C(NCCC1CC=CC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000831441318 637330589 /nfs/dbraw/zinc/33/05/89/637330589.db2.gz AXSJSEJPQMYYFW-UHFFFAOYSA-N 0 1 276.292 2.387 20 5 CEBDMN C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2F)[C@H](C)CN1C ZINC000209669386 638544670 /nfs/dbraw/zinc/54/46/70/638544670.db2.gz KHHOSJHPPXLLPM-NXEZZACHSA-N 0 1 267.304 2.263 20 5 CEBDMN O=C(OCc1cc(O)ccc1[N+](=O)[O-])C1=COCCC1 ZINC000837510476 639260574 /nfs/dbraw/zinc/26/05/74/639260574.db2.gz KBJMSKDEZMLZLH-UHFFFAOYSA-N 0 1 279.248 2.038 20 5 CEBDMN CC[C@@H]1CC[C@H](C(=O)OCc2cc(O)ccc2[N+](=O)[O-])O1 ZINC000837574511 639289315 /nfs/dbraw/zinc/28/93/15/639289315.db2.gz QPHBXDOHOWNLNV-DGCLKSJQSA-N 0 1 295.291 2.301 20 5 CEBDMN CC[C@](C)(OC)C(=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837700775 639349679 /nfs/dbraw/zinc/34/96/79/639349679.db2.gz NZVGCELYCHKMTN-ZDUSSCGKSA-N 0 1 283.280 2.159 20 5 CEBDMN CO[C@@](C)(C(=O)OCc1cc(O)ccc1[N+](=O)[O-])C1CC1 ZINC000837740523 639368942 /nfs/dbraw/zinc/36/89/42/639368942.db2.gz NZDNEQCHBKTKFE-CQSZACIVSA-N 0 1 295.291 2.159 20 5 CEBDMN CC(C)[C@@H](N)c1noc(-c2cc(F)cc([N+](=O)[O-])c2)n1 ZINC000166147542 639450088 /nfs/dbraw/zinc/45/00/88/639450088.db2.gz PHHLJZMMPOLXAI-SNVBAGLBSA-N 0 1 280.259 2.440 20 5 CEBDMN CC[C@@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccc(OC)cc1 ZINC000841163825 639697304 /nfs/dbraw/zinc/69/73/04/639697304.db2.gz AGCXOGQYWWBVRF-JHJVBQTASA-N 0 1 279.292 2.355 20 5 CEBDMN O=C(OCc1ccc2occc2c1)[C@@H]1CC1[N+](=O)[O-] ZINC000841230416 639713617 /nfs/dbraw/zinc/71/36/17/639713617.db2.gz VDQIZCPNNGEAHB-GHMZBOCLSA-N 0 1 261.233 2.141 20 5 CEBDMN CC(C)C[C@@H](N)c1noc(CCC(C)(C)[N+](=O)[O-])n1 ZINC000842587321 640110263 /nfs/dbraw/zinc/11/02/63/640110263.db2.gz ZEDYMJBEUCMPOZ-SECBINFHSA-N 0 1 270.333 2.103 20 5 CEBDMN O=[N+]([O-])c1cc(CN[C@H]2COC[C@@H]2C2CC2)cs1 ZINC000914433936 640404785 /nfs/dbraw/zinc/40/47/85/640404785.db2.gz YGDTYFYXZDYBPK-MNOVXSKESA-N 0 1 268.338 2.171 20 5 CEBDMN CC(C)[C@@H](C)N(C)Cn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000915208466 640529408 /nfs/dbraw/zinc/52/94/08/640529408.db2.gz NJWFUKSDWMKWBV-SNVBAGLBSA-N 0 1 293.323 2.437 20 5 CEBDMN CC[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@H]1CCCOC1 ZINC000844403215 640709377 /nfs/dbraw/zinc/70/93/77/640709377.db2.gz DUJQIRNKVHHNBW-GJZGRUSLSA-N 0 1 294.351 2.129 20 5 CEBDMN CC[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCCOC1 ZINC000844403214 640709837 /nfs/dbraw/zinc/70/98/37/640709837.db2.gz DUJQIRNKVHHNBW-CABCVRRESA-N 0 1 294.351 2.129 20 5 CEBDMN COc1cc(C)ccc1OC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000916856521 640825164 /nfs/dbraw/zinc/82/51/64/640825164.db2.gz RCIWLCKZEKDARO-UHFFFAOYSA-N 0 1 276.248 2.459 20 5 CEBDMN CCCOc1ccc(COC(=O)[C@@H]2CC2[N+](=O)[O-])c(C)c1 ZINC000847918433 641833017 /nfs/dbraw/zinc/83/30/17/641833017.db2.gz XULXGJJBROPCSK-ZIAGYGMSSA-N 0 1 293.319 2.492 20 5 CEBDMN CCN(CC)C(=O)CN[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000848527065 642034964 /nfs/dbraw/zinc/03/49/64/642034964.db2.gz QQMLXWBUIICWPR-CYBMUJFWSA-N 0 1 291.351 2.040 20 5 CEBDMN CC(=O)c1ccc([N+](=O)[O-])cc1N[C@@H]1CCN(C2CC2)C1 ZINC000853231875 643717325 /nfs/dbraw/zinc/71/73/25/643717325.db2.gz NUCSBBGPZYUPRQ-LLVKDONJSA-N 0 1 289.335 2.446 20 5 CEBDMN CCO[C@@H]1[C@@H](C)[C@@H]1C(=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000923450730 643720817 /nfs/dbraw/zinc/72/08/17/643720817.db2.gz ICHRWWVUCWFKLB-AQUOVQTQSA-N 0 1 295.291 2.015 20 5 CEBDMN CCCN(Cc1ccccc1F)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839513113 644240627 /nfs/dbraw/zinc/24/06/27/644240627.db2.gz UFPIONDXSMMPBP-DGCLKSJQSA-N 0 1 280.299 2.230 20 5 CEBDMN Cc1ccccc1[C@H](C)N(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839509224 644245549 /nfs/dbraw/zinc/24/55/49/644245549.db2.gz OHZWLHICBYXLRG-CYZMBNFOSA-N 0 1 262.309 2.180 20 5 CEBDMN CC(C)[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccc(F)cc1 ZINC000839689186 644774480 /nfs/dbraw/zinc/77/44/80/644774480.db2.gz LIUWIBBWZRUZLR-JHJVBQTASA-N 0 1 280.299 2.304 20 5 CEBDMN Cc1nc2cc(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])ccc2s1 ZINC000839721966 644792740 /nfs/dbraw/zinc/79/27/40/644792740.db2.gz RXWSBSKCVBSPLY-PSASIEDQSA-N 0 1 277.305 2.208 20 5 CEBDMN CC(C)[C@@H]1CCC[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000839729017 644794727 /nfs/dbraw/zinc/79/47/27/644794727.db2.gz UVIBQTLHQDGVCY-YVECIDJPSA-N 0 1 268.357 2.373 20 5 CEBDMN O=C(N[C@@H]1C[C@H]1c1c(F)cccc1Cl)[C@@H]1CC1[N+](=O)[O-] ZINC000839751114 644805695 /nfs/dbraw/zinc/80/56/95/644805695.db2.gz VSBGARFAEKNEIQ-JJHYMCDRSA-N 0 1 298.701 2.116 20 5 CEBDMN CC[C@H](c1cccc(OC)c1)N(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839772193 644810164 /nfs/dbraw/zinc/81/01/64/644810164.db2.gz ZACOFXNKUJYYQF-MGPQQGTHSA-N 0 1 292.335 2.270 20 5 CEBDMN CC(C)CC1(C)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000839775725 644812414 /nfs/dbraw/zinc/81/24/14/644812414.db2.gz VJHZCWLJJRTEAL-VXGBXAGGSA-N 0 1 268.357 2.326 20 5 CEBDMN C[C@@H](OC(=O)c1ccc([N+](=O)[O-])[nH]1)c1nc(C2CC2)no1 ZINC000761177438 645253990 /nfs/dbraw/zinc/25/39/90/645253990.db2.gz LBARABFUQINXPB-ZCFIWIBFSA-N 0 1 292.251 2.101 20 5 CEBDMN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])[C@@H]1CCC[C@H]1c1ccccc1 ZINC000839800164 646139109 /nfs/dbraw/zinc/13/91/09/646139109.db2.gz RWVLDCAMLOGOHY-GBJTYRQASA-N 0 1 288.347 2.446 20 5 CEBDMN Cc1sc(C(=O)NCCN2CCC[C@H]2C)cc1[N+](=O)[O-] ZINC000773198724 646715347 /nfs/dbraw/zinc/71/53/47/646715347.db2.gz OPWFRMSIAOXLSE-SECBINFHSA-N 0 1 297.380 2.179 20 5 CEBDMN CC(C)N(Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C[C@@H](C)O ZINC000774879077 646906030 /nfs/dbraw/zinc/90/60/30/646906030.db2.gz ICGCNJKGHFBSEQ-SNVBAGLBSA-N 0 1 297.311 2.094 20 5 CEBDMN CN(Cc1ccoc1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776280077 647045256 /nfs/dbraw/zinc/04/52/56/647045256.db2.gz ZJNOIADTPCDHKL-AWEZNQCLSA-N 0 1 276.292 2.353 20 5 CEBDMN CS[C@@H]1CC[C@@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000780590843 647449279 /nfs/dbraw/zinc/44/92/79/647449279.db2.gz VMABAODXSPSCJO-BXKDBHETSA-N 0 1 296.348 2.314 20 5 CEBDMN CCn1cncc1CNCc1ccc(C)c([N+](=O)[O-])c1 ZINC000865787931 647464480 /nfs/dbraw/zinc/46/44/80/647464480.db2.gz WAHSDPIRXCXOOL-UHFFFAOYSA-N 0 1 274.324 2.409 20 5 CEBDMN CN(Cc1ccc([N+](=O)[O-])c(Cl)c1)[C@H]1CCOC1 ZINC000783559279 647729239 /nfs/dbraw/zinc/72/92/39/647729239.db2.gz MKAVVWOMALIBEU-JTQLQIEISA-N 0 1 270.716 2.469 20 5 CEBDMN Cc1nn(CN2CC[C@@H](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000784034763 647790826 /nfs/dbraw/zinc/79/08/26/647790826.db2.gz NAWULBKNSFWLLR-LLVKDONJSA-N 0 1 266.345 2.425 20 5 CEBDMN CC(C)CCCNC(=O)[C@@](C)(N)c1cccc([N+](=O)[O-])c1 ZINC000867945057 647997180 /nfs/dbraw/zinc/99/71/80/647997180.db2.gz PDRGISHWNUNEGE-HNNXBMFYSA-N 0 1 293.367 2.321 20 5 CEBDMN C[C@@H](NC(=O)[C@@](C)(N)c1cccc([N+](=O)[O-])c1)C(C)(C)C ZINC000867983517 648010094 /nfs/dbraw/zinc/01/00/94/648010094.db2.gz POPJVQKRNPYESK-BMIGLBTASA-N 0 1 293.367 2.320 20 5 CEBDMN CCOC(=O)[C@H](CC)[C@@H](C)OC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000789473939 648307255 /nfs/dbraw/zinc/30/72/55/648307255.db2.gz ZUWRGKGUCGTIDV-RKDXNWHRSA-N 0 1 298.295 2.058 20 5 CEBDMN C[C@@H]1C[C@H](C(=O)OCc2cc(O)ccc2[N+](=O)[O-])[C@H](C)O1 ZINC000869652636 648551571 /nfs/dbraw/zinc/55/15/71/648551571.db2.gz WAFIHXWNSYTXNK-PTRXPTGYSA-N 0 1 295.291 2.157 20 5 CEBDMN O=C(OC[C@H]1CCCSC1)c1ccc([N+](=O)[O-])[nH]1 ZINC000806052430 648857576 /nfs/dbraw/zinc/85/75/76/648857576.db2.gz GAJALRQBDPOWSK-MRVPVSSYSA-N 0 1 270.310 2.223 20 5 CEBDMN CCN(CC1CCC1)Cn1cc([N+](=O)[O-])c(C)n1 ZINC000794682290 648902969 /nfs/dbraw/zinc/90/29/69/648902969.db2.gz HHJIHRZAKSZHCW-UHFFFAOYSA-N 0 1 252.318 2.179 20 5 CEBDMN O=C(NCC[C@H]1CCCS1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000871032164 648984711 /nfs/dbraw/zinc/98/47/11/648984711.db2.gz MICSNMWIZLVYGJ-GFCCVEGCSA-N 0 1 296.348 2.316 20 5 CEBDMN C[C@@H](NCC1(O)CCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872034376 649248693 /nfs/dbraw/zinc/24/86/93/649248693.db2.gz HSKZEWIMDPTXKU-SECBINFHSA-N 0 1 268.288 2.300 20 5 CEBDMN C[C@H](NCCN1CCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872052523 649255526 /nfs/dbraw/zinc/25/55/26/649255526.db2.gz OEQACXUOELYSDR-JTQLQIEISA-N 0 1 267.304 2.090 20 5 CEBDMN Cc1nn(CN2C[C@@H]3CC=CC[C@@H]3C2)c(C)c1[N+](=O)[O-] ZINC000872712617 649465066 /nfs/dbraw/zinc/46/50/66/649465066.db2.gz UZBOQMWNEIXFNQ-BETUJISGSA-N 0 1 276.340 2.264 20 5 CEBDMN Cc1ccc([N+](=O)[O-])c(C)c1CNC[C@H](O)C(F)(F)F ZINC000873020674 649533852 /nfs/dbraw/zinc/53/38/52/649533852.db2.gz ZVNVGURUTAGAEM-NSHDSACASA-N 0 1 292.257 2.224 20 5 CEBDMN Cc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H](C)N[C@@H](C)C2)c1C ZINC000884030033 652641084 /nfs/dbraw/zinc/64/10/84/652641084.db2.gz DHUKJGDZBXVTKT-PHIMTYICSA-N 0 1 291.351 2.034 20 5 CEBDMN CC1(C)C[C@@H](c2ccccc2)CN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000885232002 652993914 /nfs/dbraw/zinc/99/39/14/652993914.db2.gz KAVLOIDDKQUOPQ-MGPQQGTHSA-N 0 1 288.347 2.446 20 5 CEBDMN CC[C@@H](C)[C@H](C)Oc1nc(C)[nH]c(=O)c1[N+](=O)[O-] ZINC001229377264 806478692 /nfs/dbraw/zinc/47/86/92/806478692.db2.gz ABGXJEFHQICJCQ-RQJHMYQMSA-N 0 1 255.274 2.212 20 5 CEBDMN C[C@@H]1CCCN1Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000173522184 803736124 /nfs/dbraw/zinc/73/61/24/803736124.db2.gz GEKHDQBRNQJXMU-SNVBAGLBSA-N 0 1 260.297 2.386 20 5 CEBDMN C[C@H]1COC[C@H]1NCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000699792848 807845660 /nfs/dbraw/zinc/84/56/60/807845660.db2.gz WSJYURYHHMQNBA-GZMMTYOYSA-N 0 1 270.716 2.373 20 5 CEBDMN Cc1c(F)cc([N+](=O)[O-])cc1Nc1nccnc1CN ZINC001171450087 815163509 /nfs/dbraw/zinc/16/35/09/815163509.db2.gz ZMLAGVYIXORTOO-UHFFFAOYSA-N 0 1 277.259 2.035 20 5 CEBDMN C[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)CC1(C)COC1 ZINC000702980155 809606380 /nfs/dbraw/zinc/60/63/80/809606380.db2.gz JDKQWNNYWYRCGT-UHFFFAOYSA-N 0 1 268.288 2.202 20 5 CEBDMN O=[N+]([O-])c1cc(Cl)ccc1CN1C[C@@H]2[C@H](O)CC[C@@H]2C1 ZINC000712275311 810534736 /nfs/dbraw/zinc/53/47/36/810534736.db2.gz WNGPWWGDDZTOTD-LJWDBELGSA-N 0 1 296.754 2.451 20 5 CEBDMN CCN1CC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000712334645 811193992 /nfs/dbraw/zinc/19/39/92/811193992.db2.gz VRRPNFVDWARBOE-SNVBAGLBSA-N 0 1 297.742 2.072 20 5 CEBDMN O=C1C[C@H]2CCC[C@@H](C1)N2[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169038027 811347796 /nfs/dbraw/zinc/34/77/96/811347796.db2.gz VCZKVJNOIGCKTG-WUHRBBMRSA-N 0 1 266.341 2.018 20 5 CEBDMN O=[N+]([O-])C[C@@H]1CC[C@@H](N2CCC[C@@H]2c2ncccn2)C1 ZINC001169050639 811356640 /nfs/dbraw/zinc/35/66/40/811356640.db2.gz CBYXWAUOBAADDG-JHJVBQTASA-N 0 1 276.340 2.059 20 5 CEBDMN Cc1c(C)c(NCCN2CCSCC2)ncc1[N+](=O)[O-] ZINC001157043312 811988621 /nfs/dbraw/zinc/98/86/21/811988621.db2.gz LTQRIFSSPBTMRC-UHFFFAOYSA-N 0 1 296.396 2.067 20 5 CEBDMN C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CCCOCC1 ZINC001254550423 812479798 /nfs/dbraw/zinc/47/97/98/812479798.db2.gz JPHFQIKRBYLJJB-LBPRGKRZSA-N 0 1 264.325 2.248 20 5 CEBDMN O=[N+]([O-])c1cc(CNCCOC2CCC2)cs1 ZINC000690693980 814587689 /nfs/dbraw/zinc/58/76/89/814587689.db2.gz PWRZRSRUGYKCRG-UHFFFAOYSA-N 0 1 256.327 2.315 20 5 CEBDMN CCN1CC[C@@H]1CNc1ccc([N+](=O)[O-])cc1F ZINC000712616849 814758275 /nfs/dbraw/zinc/75/82/75/814758275.db2.gz RUYADVIASBHQDN-SNVBAGLBSA-N 0 1 253.277 2.240 20 5 CEBDMN Cc1ccc(C[N@H+]2CCC[C@@]2(C)C(=O)[O-])cc1[N+](=O)[O-] ZINC000714013629 814881923 /nfs/dbraw/zinc/88/19/23/814881923.db2.gz BGWOSIVXPCXUKX-AWEZNQCLSA-N 0 1 278.308 2.342 20 5 CEBDMN CN(Cc1ccc([N+](=O)[O-])c(F)c1)[C@H]1CCCOC1 ZINC000401494225 815898628 /nfs/dbraw/zinc/89/86/28/815898628.db2.gz TXAKZUICVSNFMC-NSHDSACASA-N 0 1 268.288 2.345 20 5 CEBDMN CC[C@@H](N[C@@H](C)C(=O)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000036794138 361858237 /nfs/dbraw/zinc/85/82/37/361858237.db2.gz HXZLPIRWDGSRRD-GXFFZTMASA-N 0 1 279.340 2.112 20 5 CEBDMN COC(CN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)OC ZINC000037566655 361905085 /nfs/dbraw/zinc/90/50/85/361905085.db2.gz FZXTZAAOVFGHGL-JTQLQIEISA-N 0 1 268.313 2.173 20 5 CEBDMN C[C@@H](NCc1cnn(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000037775659 361935844 /nfs/dbraw/zinc/93/58/44/361935844.db2.gz QNUHSDKVTBFYDH-SNVBAGLBSA-N 0 1 260.297 2.179 20 5 CEBDMN CCn1ccnc1NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000414297484 529586944 /nfs/dbraw/zinc/58/69/44/529586944.db2.gz IHBKAWBLSOJCQO-UHFFFAOYSA-N 0 1 276.296 2.432 20 5 CEBDMN Cc1c(C[N@H+]2CCC[C@H]2CC(=O)[O-])cccc1[N+](=O)[O-] ZINC000042163511 362064046 /nfs/dbraw/zinc/06/40/46/362064046.db2.gz JYVSIWJKAJLCKK-LBPRGKRZSA-N 0 1 278.308 2.342 20 5 CEBDMN Cc1ccc([N+](=O)[O-])cc1N1N=C2CCC[C@@H]2C1=O ZINC000601934702 346931244 /nfs/dbraw/zinc/93/12/44/346931244.db2.gz CSIFTLWOJNZYQM-JTQLQIEISA-N 0 1 259.265 2.406 20 5 CEBDMN Cc1ccc([N+](=O)[O-])cc1-n1[nH]c2c(c1=O)CCC2 ZINC000601934702 346931247 /nfs/dbraw/zinc/93/12/47/346931247.db2.gz CSIFTLWOJNZYQM-JTQLQIEISA-N 0 1 259.265 2.406 20 5 CEBDMN COc1ccc([N+](=O)[O-])cc1CN[C@@H]1C[C@@H](C)O[C@@H]1C ZINC000294988275 199287134 /nfs/dbraw/zinc/28/71/34/199287134.db2.gz HKOFYRQPPSCSED-GIPNMCIBSA-N 0 1 280.324 2.259 20 5 CEBDMN O=[N+]([O-])c1ccccc1/C=C\CN1CCC[C@@H](CO)C1 ZINC000033394672 343417679 /nfs/dbraw/zinc/41/76/79/343417679.db2.gz VYUHYWOLTOTBRN-LLPBQKLSSA-N 0 1 276.336 2.312 20 5 CEBDMN Cc1nccc(-c2cccc(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])c2)n1 ZINC000044499965 343473549 /nfs/dbraw/zinc/47/35/49/343473549.db2.gz YFHLPCOIKLXZOE-TZMCWYRMSA-N 0 1 298.302 2.056 20 5 CEBDMN Cc1cnc(-c2cccc(NC(=O)[C@@H]3C[C@@H]3[N+](=O)[O-])c2)o1 ZINC000066809171 343722399 /nfs/dbraw/zinc/72/23/99/343722399.db2.gz QNFCKVTZSWUZCV-NEPJUHHUSA-N 0 1 287.275 2.254 20 5 CEBDMN Cc1cc(N(C)C)nc(NCc2ccc([N+](=O)[O-])cc2)n1 ZINC000076871904 343900877 /nfs/dbraw/zinc/90/08/77/343900877.db2.gz BKWLLCOEKFEWMH-UHFFFAOYSA-N 0 1 287.323 2.371 20 5 CEBDMN C[C@@H]1C[C@H](N(C)Cc2cc([O-])ccc2[N+](=O)[O-])CC[N@H+]1C ZINC000093643693 344228220 /nfs/dbraw/zinc/22/82/20/344228220.db2.gz VNZAVKDJNGLIRA-DGCLKSJQSA-N 0 1 293.367 2.215 20 5 CEBDMN Cc1cccc(C2=CCN(C(=O)[C@H]3CC3[N+](=O)[O-])CC2)c1 ZINC000092518273 344192959 /nfs/dbraw/zinc/19/29/59/344192959.db2.gz LPKUZBXCAZOQMY-LSDHHAIUSA-N 0 1 286.331 2.276 20 5 CEBDMN COc1ccc(CN2CC[C@@]3(CCOC3)C2)cc1[N+](=O)[O-] ZINC000153704786 344430238 /nfs/dbraw/zinc/43/02/38/344430238.db2.gz YLNAWFCWVMIMMX-OAHLLOKOSA-N 0 1 292.335 2.216 20 5 CEBDMN COC[C@H](C)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000049963107 362387814 /nfs/dbraw/zinc/38/78/14/362387814.db2.gz HEDXJGKPDGLDCF-QMMMGPOBSA-N 0 1 258.705 2.373 20 5 CEBDMN COc1cc([N+](=O)[O-])ccc1-c1nc([C@@H]2CCCN2)no1 ZINC000164983877 344473270 /nfs/dbraw/zinc/47/32/70/344473270.db2.gz UURSGVGYMWAKHW-JTQLQIEISA-N 0 1 290.279 2.078 20 5 CEBDMN C[C@@H]1CC[N@@H+](Cc2ccccc2[N+](=O)[O-])[C@@H](C(=O)[O-])C1 ZINC000229307039 344565556 /nfs/dbraw/zinc/56/55/56/344565556.db2.gz CGHUGFUOYVFUPS-ZWNOBZJWSA-N 0 1 278.308 2.280 20 5 CEBDMN CN(Cc1ccc([N+](=O)[O-])cc1)C[C@@H]1CCCO1 ZINC000052102547 362464683 /nfs/dbraw/zinc/46/46/83/362464683.db2.gz FKDWIMVQIPGKOR-ZDUSSCGKSA-N 0 1 250.298 2.206 20 5 CEBDMN O=[N+]([O-])c1ccc([O-])cc1C[N@@H+]1CC[C@H](C(F)F)C1 ZINC000590169361 345119303 /nfs/dbraw/zinc/11/93/03/345119303.db2.gz XQGRWSLLNHLIRW-QMMMGPOBSA-N 0 1 272.251 2.387 20 5 CEBDMN O=[N+]([O-])c1ccc([O-])cc1C[N@H+]1CC[C@H](C(F)F)C1 ZINC000590169361 345119305 /nfs/dbraw/zinc/11/93/05/345119305.db2.gz XQGRWSLLNHLIRW-QMMMGPOBSA-N 0 1 272.251 2.387 20 5 CEBDMN C[C@@H]1[C@@H](C)N(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H](C)CN1C ZINC000593188224 345451280 /nfs/dbraw/zinc/45/12/80/345451280.db2.gz ZALQNFVSFXXXKM-QJPTWQEYSA-N 0 1 291.351 2.148 20 5 CEBDMN O=[N+]([O-])c1cc(F)ccc1CN1CCCCC[C@H]1CO ZINC000595562211 345814368 /nfs/dbraw/zinc/81/43/68/345814368.db2.gz RVRBBODLIXGLFD-ZDUSSCGKSA-N 0 1 282.315 2.471 20 5 CEBDMN CC[C@@H]1[C@H](CO)CCN1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595529725 345803845 /nfs/dbraw/zinc/80/38/45/345803845.db2.gz QZHSUNSDKFFTAH-WCQYABFASA-N 0 1 282.315 2.327 20 5 CEBDMN C[C@H]1CCC[N@@H+](Cc2cc([O-])ccc2[N+](=O)[O-])[C@@H]1CCO ZINC000595695392 345851444 /nfs/dbraw/zinc/85/14/44/345851444.db2.gz HFCHMWJTTLRRMD-SMDDNHRTSA-N 0 1 294.351 2.283 20 5 CEBDMN COc1cc(CN2C[C@@H](C)C(O)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000595743506 345864227 /nfs/dbraw/zinc/86/42/27/345864227.db2.gz NCOSGCVARLOHAW-GHMZBOCLSA-N 0 1 294.351 2.052 20 5 CEBDMN O=[N+]([O-])c1cccc(F)c1CN1CC[C@@H]2COC[C@@H]2C1 ZINC000595835831 345892303 /nfs/dbraw/zinc/89/23/03/345892303.db2.gz WALHWFJNNUHCHI-MNOVXSKESA-N 0 1 280.299 2.202 20 5 CEBDMN O=[N+]([O-])c1ccc([O-])cc1C[N@@H+]1CCC[C@](O)(C2CC2)C1 ZINC000595752355 345866423 /nfs/dbraw/zinc/86/64/23/345866423.db2.gz XSFJIRWTWOGHRQ-OAHLLOKOSA-N 0 1 292.335 2.037 20 5 CEBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC(=O)N(C)CC1 ZINC000595771664 345872891 /nfs/dbraw/zinc/87/28/91/345872891.db2.gz DDTRUIQUERZSKY-LBPRGKRZSA-N 0 1 291.351 2.128 20 5 CEBDMN COCCN1CCC[C@@H](Nc2cc(C)sc2[N+](=O)[O-])C1 ZINC000596117127 345943337 /nfs/dbraw/zinc/94/33/37/345943337.db2.gz WFLVKVBMFBEZPY-LLVKDONJSA-N 0 1 299.396 2.487 20 5 CEBDMN CC(C)(C)N1CC[C@@H](Nc2c(Cl)cncc2[N+](=O)[O-])C1 ZINC000596336067 346002607 /nfs/dbraw/zinc/00/26/07/346002607.db2.gz LQROOCDUOKVEAW-SECBINFHSA-N 0 1 298.774 2.350 20 5 CEBDMN CC[C@@H](C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C)N(C)C ZINC000597665038 346212773 /nfs/dbraw/zinc/21/27/73/346212773.db2.gz DCJYOJRLIDBWGA-NSHDSACASA-N 0 1 279.340 2.490 20 5 CEBDMN CCc1[nH]nc(C(=O)N(CC)[C@H](C)CC)c1[N+](=O)[O-] ZINC000597855640 346239160 /nfs/dbraw/zinc/23/91/60/346239160.db2.gz LOPADOWQLLUBQB-MRVPVSSYSA-N 0 1 268.317 2.141 20 5 CEBDMN CC[C@H](C)CCNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000597978012 346262369 /nfs/dbraw/zinc/26/23/69/346262369.db2.gz NKVNJAWWWCOSBG-VIFPVBQESA-N 0 1 266.297 2.466 20 5 CEBDMN C[C@@]1(CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1(F)F ZINC000598213212 346306667 /nfs/dbraw/zinc/30/66/67/346306667.db2.gz AXIOLINJQUVYGQ-NSHDSACASA-N 0 1 286.234 2.076 20 5 CEBDMN C[C@H]1CCN(Cc2ccc(F)cc2[N+](=O)[O-])C[C@H]1CO ZINC000598647567 346392090 /nfs/dbraw/zinc/39/20/90/346392090.db2.gz OUHWSWJOJDOWCW-JQWIXIFHSA-N 0 1 282.315 2.184 20 5 CEBDMN O=[N+]([O-])c1cc2ccccc2nc1N1CC[N@H+]2CC[C@H]1C2 ZINC000599082621 346457265 /nfs/dbraw/zinc/45/72/65/346457265.db2.gz DZFCGIPIAVPWMN-LBPRGKRZSA-N 0 1 284.319 2.037 20 5 CEBDMN C[C@H]1CN(CCn2cc([N+](=O)[O-])cn2)C[C@H](C)C1(F)F ZINC000599511840 346531118 /nfs/dbraw/zinc/53/11/18/346531118.db2.gz BWGNFUMPILHUKT-UWVGGRQHSA-N 0 1 288.298 2.014 20 5 CEBDMN C[C@H]1C[C@H](Nc2ncc(F)cc2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000601127228 346761700 /nfs/dbraw/zinc/76/17/00/346761700.db2.gz CJXWFJDEZMKLPY-WPRPVWTQSA-N 0 1 280.303 2.166 20 5 CEBDMN Cc1cc(C)c([N+](=O)[O-])c(N2CCN(C)C(C)(C)C2)n1 ZINC000601186968 346780636 /nfs/dbraw/zinc/78/06/36/346780636.db2.gz IQMXAKQZLHNNNC-UHFFFAOYSA-N 0 1 278.356 2.137 20 5 CEBDMN C[C@H](NCc1cn(C)nc1[N+](=O)[O-])c1ccccc1 ZINC000602803353 347206063 /nfs/dbraw/zinc/20/60/63/347206063.db2.gz XEDYMXNCSNKTMT-JTQLQIEISA-N 0 1 260.297 2.179 20 5 CEBDMN CC[C@H](NCCn1c(C)ncc1[N+](=O)[O-])c1nccs1 ZINC000602809874 347209176 /nfs/dbraw/zinc/20/91/76/347209176.db2.gz JDJTVZVBHGFQOE-JTQLQIEISA-N 0 1 295.368 2.297 20 5 CEBDMN CCN1[C@H](C)CN(C(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000603141550 347296496 /nfs/dbraw/zinc/29/64/96/347296496.db2.gz DSQTWCPUHHIFCX-TXEJJXNPSA-N 0 1 291.351 2.150 20 5 CEBDMN Cc1noc(CN2CC[C@H](O)[C@@H]3CCCC[C@@H]32)c1[N+](=O)[O-] ZINC000602998014 347270544 /nfs/dbraw/zinc/27/05/44/347270544.db2.gz VTMFSBPFRGPMGP-WOPDTQHZSA-N 0 1 295.339 2.017 20 5 CEBDMN COC[C@H]1CCCN1Cc1cccc([N+](=O)[O-])c1 ZINC000610605097 347695692 /nfs/dbraw/zinc/69/56/92/347695692.db2.gz KIEWHXILTDAXEJ-CYBMUJFWSA-N 0 1 250.298 2.206 20 5 CEBDMN Cc1ccc([C@@H](C)NC(=O)[C@H](C)N(C)C)cc1[N+](=O)[O-] ZINC000610636301 347697753 /nfs/dbraw/zinc/69/77/53/347697753.db2.gz NGULVSKZLZBCLR-MNOVXSKESA-N 0 1 279.340 2.031 20 5 CEBDMN C[C@H]1COCCCN1Cc1ccccc1[N+](=O)[O-] ZINC000610990758 347727781 /nfs/dbraw/zinc/72/77/81/347727781.db2.gz MINSQUVNNUEYPV-NSHDSACASA-N 0 1 250.298 2.206 20 5 CEBDMN CC(C)c1[nH]nc(C(=O)N2CC3(CC(F)C3)C2)c1[N+](=O)[O-] ZINC000611077326 347736381 /nfs/dbraw/zinc/73/63/81/347736381.db2.gz YGWYTJGCLYDSEA-UHFFFAOYSA-N 0 1 296.302 2.015 20 5 CEBDMN O=[N+]([O-])c1cnc(Nc2cnn(-c3ccncc3)c2)s1 ZINC000619695493 349219346 /nfs/dbraw/zinc/21/93/46/349219346.db2.gz RMEJXGCUWBJIOX-UHFFFAOYSA-N 0 1 288.292 2.376 20 5 CEBDMN COc1ccc([N+](=O)[O-])cc1CN1CCN(C(C)C)CC1 ZINC000130455785 365959192 /nfs/dbraw/zinc/95/91/92/365959192.db2.gz VPJAMVZROACQSK-UHFFFAOYSA-N 0 1 293.367 2.129 20 5 CEBDMN CN(Cc1ccccc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000352230915 219374592 /nfs/dbraw/zinc/37/45/92/219374592.db2.gz NBWFYSHBJRDJIO-GFCCVEGCSA-N 0 1 250.298 2.206 20 5 CEBDMN CCCN1CCN(c2c(OC)cccc2[N+](=O)[O-])CC1 ZINC000569116002 299181838 /nfs/dbraw/zinc/18/18/38/299181838.db2.gz CKGGCGNJXQCUSH-UHFFFAOYSA-N 0 1 279.340 2.135 20 5 CEBDMN Cc1c([C@@H](C)N[C@@H]2CCCCNC2=O)cccc1[N+](=O)[O-] ZINC000134080740 366283123 /nfs/dbraw/zinc/28/31/23/366283123.db2.gz KMQFZTHMUIJHDM-DGCLKSJQSA-N 0 1 291.351 2.223 20 5 CEBDMN CC(C)N(CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000079076699 363575090 /nfs/dbraw/zinc/57/50/90/363575090.db2.gz ADVGPRMBANPPEO-UHFFFAOYSA-N 0 1 291.351 2.430 20 5 CEBDMN CC1(C)CN(CCCOc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000079198129 363584743 /nfs/dbraw/zinc/58/47/43/363584743.db2.gz BKFUFJGIFGIGPH-UHFFFAOYSA-N 0 1 294.351 2.475 20 5 CEBDMN Cc1[nH]nc(C(=O)N2CC(C)(C)[C@@H]3CCC[C@H]32)c1[N+](=O)[O-] ZINC000294583406 199095600 /nfs/dbraw/zinc/09/56/00/199095600.db2.gz FOCKGVOAFDQTAA-NXEZZACHSA-N 0 1 292.339 2.277 20 5 CEBDMN O=C(NCC1CCCCCC1)c1n[nH]cc1[N+](=O)[O-] ZINC000452791727 283385358 /nfs/dbraw/zinc/38/53/58/283385358.db2.gz KRVBPSYHHSFMHR-UHFFFAOYSA-N 0 1 266.301 2.018 20 5 CEBDMN Cc1ccc([C@@H](C)NCC(=O)NCC(C)C)cc1[N+](=O)[O-] ZINC000135741656 366472439 /nfs/dbraw/zinc/47/24/39/366472439.db2.gz YAPCWEFDQSCYLG-GFCCVEGCSA-N 0 1 293.367 2.326 20 5 CEBDMN COc1cccc(N2C[C@@H](C)N(C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000338784992 366522115 /nfs/dbraw/zinc/52/21/15/366522115.db2.gz BCEULRWADWMWPH-GHMZBOCLSA-N 0 1 279.340 2.132 20 5 CEBDMN O=[N+]([O-])c1ccc(NCCCCN2CCOCC2)c(F)c1 ZINC000298700476 200509820 /nfs/dbraw/zinc/50/98/20/200509820.db2.gz HOOANIMLNBRFRN-UHFFFAOYSA-N 0 1 297.330 2.258 20 5 CEBDMN O=C([O-])[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000178901181 189153435 /nfs/dbraw/zinc/15/34/35/189153435.db2.gz DDINGZAVKKKQQQ-MRVPVSSYSA-N 0 1 284.699 2.155 20 5 CEBDMN C[C@@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)c1ccccn1 ZINC000356372939 370683460 /nfs/dbraw/zinc/68/34/60/370683460.db2.gz ZBXAPKJBOMDRQS-SECBINFHSA-N 0 1 287.275 2.186 20 5 CEBDMN CC(C)[C@@H]1CN(C)CCN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000153852453 366741352 /nfs/dbraw/zinc/74/13/52/366741352.db2.gz IDVPKYVKKQGEQR-AWEZNQCLSA-N 0 1 291.351 2.007 20 5 CEBDMN CN1CCCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000008178084 361342275 /nfs/dbraw/zinc/34/22/75/361342275.db2.gz AVMVAIKIRAGVLQ-UHFFFAOYSA-N 0 1 269.732 2.390 20 5 CEBDMN CN1CCN(Cc2c(F)cc([N+](=O)[O-])cc2F)CC1(C)C ZINC000580211763 366767052 /nfs/dbraw/zinc/76/70/52/366767052.db2.gz IQIMYQLWIIPAOU-UHFFFAOYSA-N 0 1 299.321 2.399 20 5 CEBDMN Cc1n[nH]cc1CN[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000581736324 366819198 /nfs/dbraw/zinc/81/91/98/366819198.db2.gz RVQBOSIKNPANGR-ZDUSSCGKSA-N 0 1 272.308 2.403 20 5 CEBDMN CNC(=O)C1CCN([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000025449186 361627515 /nfs/dbraw/zinc/62/75/15/361627515.db2.gz PJBHXLDGWLYBAE-LLVKDONJSA-N 0 1 291.351 2.114 20 5 CEBDMN O=[N+]([O-])c1cc(Cl)ccc1-n1cc(CNC2CC2)nn1 ZINC000090299982 364051932 /nfs/dbraw/zinc/05/19/32/364051932.db2.gz YZMDRGOQAUFMCP-UHFFFAOYSA-N 0 1 293.714 2.081 20 5 CEBDMN Cc1cc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)sn1 ZINC000356617062 370774324 /nfs/dbraw/zinc/77/43/24/370774324.db2.gz ISJBKVPQKWFVCG-UHFFFAOYSA-N 0 1 279.277 2.318 20 5 CEBDMN CCCC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000103202393 364633258 /nfs/dbraw/zinc/63/32/58/364633258.db2.gz FEDPBNZGWFKWCN-UHFFFAOYSA-N 0 1 275.268 2.119 20 5 CEBDMN COc1ccc([N+](=O)[O-])cc1CN1[C@H](C)CCC[C@H]1CO ZINC000159096195 366877631 /nfs/dbraw/zinc/87/76/31/366877631.db2.gz YZJTXUYLASKLNZ-RISCZKNCSA-N 0 1 294.351 2.339 20 5 CEBDMN COc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H](C)[C@H]1CO ZINC000159238267 366892323 /nfs/dbraw/zinc/89/23/23/366892323.db2.gz ZWZWNKPNELWPOF-BXUZGUMPSA-N 0 1 294.351 2.196 20 5 CEBDMN O=[N+]([O-])c1ccc(O)cc1CN1CCOC[C@H]1C1CCC1 ZINC000584349326 367148510 /nfs/dbraw/zinc/14/85/10/367148510.db2.gz OLWLBKNYAVXZCJ-HNNXBMFYSA-N 0 1 292.335 2.301 20 5 CEBDMN O=[N+]([O-])c1ccc(O)cc1CN1CCOC[C@@H]1C1CCC1 ZINC000584349327 367148852 /nfs/dbraw/zinc/14/88/52/367148852.db2.gz OLWLBKNYAVXZCJ-OAHLLOKOSA-N 0 1 292.335 2.301 20 5 CEBDMN CN(C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)C(C)(C)C ZINC000584352145 367149406 /nfs/dbraw/zinc/14/94/06/367149406.db2.gz HEGMTRUKWIUSPT-UHFFFAOYSA-N 0 1 276.296 2.342 20 5 CEBDMN CCc1[nH]nc(C(=O)N2CCC[C@@H](CC)C2)c1[N+](=O)[O-] ZINC000171371202 367529616 /nfs/dbraw/zinc/52/96/16/367529616.db2.gz VSWVUSWPNGQQPE-SECBINFHSA-N 0 1 280.328 2.143 20 5 CEBDMN CN(Cc1ccccc1)C1CN(c2ccncc2[N+](=O)[O-])C1 ZINC000343641355 367932936 /nfs/dbraw/zinc/93/29/36/367932936.db2.gz ZJQLFVHVRPZHDD-UHFFFAOYSA-N 0 1 298.346 2.310 20 5 CEBDMN CN(CCc1ccc([N+](=O)[O-])cc1)Cc1cnccn1 ZINC000174650188 368052300 /nfs/dbraw/zinc/05/23/00/368052300.db2.gz JSRDELOBQRCWEL-UHFFFAOYSA-N 0 1 272.308 2.059 20 5 CEBDMN CC1(CO)CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000186898631 369064494 /nfs/dbraw/zinc/06/44/94/369064494.db2.gz OPSIMURNAIBTSO-UHFFFAOYSA-N 0 1 264.325 2.189 20 5 CEBDMN C[C@@H]1CCN(C/C=C\c2ccccc2[N+](=O)[O-])C[C@@H]1O ZINC000349403043 369318907 /nfs/dbraw/zinc/31/89/07/369318907.db2.gz BFPZYMVFZAWDAS-BQUOTFMISA-N 0 1 276.336 2.311 20 5 CEBDMN Cc1cc(C[C@@H](C)Nc2ncc([N+](=O)[O-])s2)[nH]n1 ZINC000192497402 369820589 /nfs/dbraw/zinc/82/05/89/369820589.db2.gz DAMLCBJFWZBOQD-ZCFIWIBFSA-N 0 1 267.314 2.126 20 5 CEBDMN CCC1(O)CCN(Cc2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000352554907 369784465 /nfs/dbraw/zinc/78/44/65/369784465.db2.gz ILCNGHPFPGIUCB-UHFFFAOYSA-N 0 1 294.351 2.340 20 5 CEBDMN C[C@@H](NCc1ccc([N+](=O)[O-])cc1)c1ccnn1C ZINC000192249750 369784986 /nfs/dbraw/zinc/78/49/86/369784986.db2.gz XMZYPKRXRNJLMO-SNVBAGLBSA-N 0 1 260.297 2.179 20 5 CEBDMN C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](C(=O)[O-])[C@@H]1C ZINC000221532005 370242069 /nfs/dbraw/zinc/24/20/69/370242069.db2.gz QJPFOWHHRDPDHE-JFGNBEQYSA-N 0 1 278.308 2.451 20 5 CEBDMN O=[N+]([O-])c1ccccc1NCCN1CCSCC1 ZINC000226230649 370330842 /nfs/dbraw/zinc/33/08/42/370330842.db2.gz KWLCRVKCQKJMPN-UHFFFAOYSA-N 0 1 267.354 2.056 20 5 CEBDMN C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](C(=O)[O-])C1 ZINC000226446243 370342048 /nfs/dbraw/zinc/34/20/48/370342048.db2.gz AIXKBHWQUWJGTA-MWLCHTKSSA-N 0 1 264.281 2.062 20 5 CEBDMN Cc1ncc([N+](=O)[O-])cc1-c1nc(C2(N)CCCC2)no1 ZINC000261655288 371694046 /nfs/dbraw/zinc/69/40/46/371694046.db2.gz FGRGMVJSCUMTNI-UHFFFAOYSA-N 0 1 289.295 2.076 20 5 CEBDMN COc1ccc([N+](=O)[O-])c(N2CCN3CCCC[C@H]3C2)c1 ZINC000266395216 372044108 /nfs/dbraw/zinc/04/41/08/372044108.db2.gz OOLLEMCWDIWDDL-LBPRGKRZSA-N 0 1 291.351 2.278 20 5 CEBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@H]1c1ccsc1 ZINC000361652932 372004441 /nfs/dbraw/zinc/00/44/41/372004441.db2.gz PXGPFNGWOCCCJQ-OUAUKWLOSA-N 0 1 266.322 2.077 20 5 CEBDMN C[C@H](O)C[C@@H]1CCCN1Cc1csc([N+](=O)[O-])c1 ZINC000269772568 372562175 /nfs/dbraw/zinc/56/21/75/372562175.db2.gz BUNSZCFBUDYVQJ-ONGXEEELSA-N 0 1 270.354 2.392 20 5 CEBDMN O=C(NCc1ccccc1-c1ccncc1)[C@H]1CC1[N+](=O)[O-] ZINC000363066845 372623199 /nfs/dbraw/zinc/62/31/99/372623199.db2.gz VTSZDUBPSONXSZ-GJZGRUSLSA-N 0 1 297.314 2.030 20 5 CEBDMN O=C(Nc1ccc(F)c([N+](=O)[O-])c1)C12CCCN1CCC2 ZINC000365984935 372973500 /nfs/dbraw/zinc/97/35/00/372973500.db2.gz BWPFFYMVIKFNHH-UHFFFAOYSA-N 0 1 293.298 2.301 20 5 CEBDMN CC1(CNC(=O)c2n[nH]cc2[N+](=O)[O-])CCCCC1 ZINC000270890925 372999748 /nfs/dbraw/zinc/99/97/48/372999748.db2.gz MVSPGSQITUTXDH-UHFFFAOYSA-N 0 1 266.301 2.018 20 5 CEBDMN CC[C@H](NCc1cccc([N+](=O)[O-])c1)[C@H](O)C(F)(F)F ZINC000271036108 373084148 /nfs/dbraw/zinc/08/41/48/373084148.db2.gz YEMVBXXWVFGFLM-QWRGUYRKSA-N 0 1 292.257 2.386 20 5 CEBDMN Cn1cccc1[C@@H]1CCCCCN1C(=O)[C@H]1CC1[N+](=O)[O-] ZINC000368762940 373257105 /nfs/dbraw/zinc/25/71/05/373257105.db2.gz YEQKNHLLUBWPSR-UBHSHLNASA-N 0 1 291.351 2.134 20 5 CEBDMN O=C(NCC1(C2CC2)CC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272633419 373592436 /nfs/dbraw/zinc/59/24/36/373592436.db2.gz BXMICFQCSUDDDK-UHFFFAOYSA-N 0 1 276.292 2.220 20 5 CEBDMN CSC[C@@H]1CCCN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272661582 373604709 /nfs/dbraw/zinc/60/47/09/373604709.db2.gz HPTOTAQPUSTPHT-JTQLQIEISA-N 0 1 296.348 2.268 20 5 CEBDMN CCOc1cc(CN(C)[C@@H]2CCOC2)ccc1[N+](=O)[O-] ZINC000276952784 374358329 /nfs/dbraw/zinc/35/83/29/374358329.db2.gz UMSCITOSVFBBEM-GFCCVEGCSA-N 0 1 280.324 2.214 20 5 CEBDMN CCOc1cc(CN(CC)CCOC)ccc1[N+](=O)[O-] ZINC000276963996 374361476 /nfs/dbraw/zinc/36/14/76/374361476.db2.gz VVKXVOQFJUCIAZ-UHFFFAOYSA-N 0 1 282.340 2.462 20 5 CEBDMN Cc1cccc([C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)c1 ZINC000373738243 374411715 /nfs/dbraw/zinc/41/17/15/374411715.db2.gz VZQFEMVJKIHIIJ-AAVRWANBSA-N 0 1 274.320 2.022 20 5 CEBDMN CCc1[nH]nc(C(=O)N2CCC[C@H]2C(C)C)c1[N+](=O)[O-] ZINC000277744894 374629711 /nfs/dbraw/zinc/62/97/11/374629711.db2.gz QFCUVYMANHVFLE-JTQLQIEISA-N 0 1 280.328 2.141 20 5 CEBDMN C[C@@H]1[C@H](Cc2ccccc2)CCN1C(=O)[C@H]1CC1[N+](=O)[O-] ZINC000377250457 374824764 /nfs/dbraw/zinc/82/47/64/374824764.db2.gz NDOJRGQXHMSEQN-UQOMUDLDSA-N 0 1 288.347 2.131 20 5 CEBDMN Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)[C@H]2CC2[N+](=O)[O-])C1 ZINC000377786262 374951516 /nfs/dbraw/zinc/95/15/16/374951516.db2.gz ULSFYFMEDPNTKX-MYZSUADSSA-N 0 1 288.347 2.365 20 5 CEBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@@H]1/C=C/c1ccccc1 ZINC000378590341 375133670 /nfs/dbraw/zinc/13/36/70/375133670.db2.gz PUGTUBIPFNZLNI-PUZOWSEMSA-N 0 1 286.331 2.356 20 5 CEBDMN O=[N+]([O-])c1ccc(NCCN2CC=CCC2)c([N+](=O)[O-])c1 ZINC000280378925 375188559 /nfs/dbraw/zinc/18/85/59/375188559.db2.gz ZEBRMCPTWRIJDE-UHFFFAOYSA-N 0 1 292.295 2.177 20 5 CEBDMN O=[N+]([O-])c1ccc(O)cc1CN1CCO[C@@H]2CCCC[C@H]21 ZINC000408070508 375401583 /nfs/dbraw/zinc/40/15/83/375401583.db2.gz NMDOZKDVFYKFCM-HUUCEWRRSA-N 0 1 292.335 2.444 20 5 CEBDMN C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1ccnc(N)c1 ZINC000282461884 375491578 /nfs/dbraw/zinc/49/15/78/375491578.db2.gz MXEYJKADDWKLQT-UHFFFAOYSA-N 0 1 286.335 2.247 20 5 CEBDMN C[C@H](O)[C@@H]1C[C@H](C)CC[N@H+]1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000330444424 377135377 /nfs/dbraw/zinc/13/53/77/377135377.db2.gz CFWASKKAZJSOFM-ZETOZRRWSA-N 0 1 294.351 2.282 20 5 CEBDMN Cc1ccc2nc(NC(=O)c3ccc([N+](=O)[O-])cn3)[nH]c2c1 ZINC000563720569 377284396 /nfs/dbraw/zinc/28/43/96/377284396.db2.gz BOWWUSNNIVRUAX-UHFFFAOYSA-N 0 1 297.274 2.427 20 5 CEBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@H](C(=O)[O-])C1 ZINC000564336628 377379218 /nfs/dbraw/zinc/37/92/18/377379218.db2.gz CGMFXHPFYUBBIU-QWRGUYRKSA-N 0 1 278.308 2.371 20 5 CEBDMN O=[N+]([O-])c1cccc(-c2nc(CNCCCO)cs2)c1 ZINC000264998056 190150823 /nfs/dbraw/zinc/15/08/23/190150823.db2.gz YVTHJAOYMHBGPP-UHFFFAOYSA-N 0 1 293.348 2.190 20 5 CEBDMN CC(C)c1nc(CN2CCc3ccc([N+](=O)[O-])cc32)n[nH]1 ZINC000293122309 377437564 /nfs/dbraw/zinc/43/75/64/377437564.db2.gz KOYOUOTZWUQHKL-UHFFFAOYSA-N 0 1 287.323 2.399 20 5 CEBDMN O=C(NCc1ccc(F)cc1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000427923120 377467840 /nfs/dbraw/zinc/46/78/40/377467840.db2.gz FGDWUNOWRRMJQO-UHFFFAOYSA-N 0 1 290.250 2.370 20 5 CEBDMN C[C@H]1C[C@@H](CO)CCN1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000288752707 249360563 /nfs/dbraw/zinc/36/05/63/249360563.db2.gz GQPSTYUUGIJFSB-JQWIXIFHSA-N 0 1 282.315 2.327 20 5 CEBDMN C[C@@H]1CN(Cc2csc([N+](=O)[O-])c2)C[C@H](C)N1C ZINC000293532229 377611480 /nfs/dbraw/zinc/61/14/80/377611480.db2.gz XFFVIRAYEKQQDN-AOOOYVTPSA-N 0 1 269.370 2.181 20 5 CEBDMN CCc1[nH]nc(C(=O)N2[C@H](C)CC[C@H]2CC)c1[N+](=O)[O-] ZINC000278473014 194001123 /nfs/dbraw/zinc/00/11/23/194001123.db2.gz UEBVQVKGYQASSB-RKDXNWHRSA-N 0 1 280.328 2.283 20 5 CEBDMN Cc1[nH]nc(C(=O)N2CCC[C@@H]3CCCC[C@@H]32)c1[N+](=O)[O-] ZINC000299440579 378999280 /nfs/dbraw/zinc/99/92/80/378999280.db2.gz JZWOMFDFOPQVJO-QWRGUYRKSA-N 0 1 292.339 2.421 20 5 CEBDMN CCN(CCOC)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000347354504 218202666 /nfs/dbraw/zinc/20/26/66/218202666.db2.gz RZYSGXJATWOBQF-UHFFFAOYSA-N 0 1 268.313 2.072 20 5 CEBDMN C[C@H]1CCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000299682539 379105699 /nfs/dbraw/zinc/10/56/99/379105699.db2.gz WCXCJOACJSKGRY-JTQLQIEISA-N 0 1 288.307 2.487 20 5 CEBDMN CC[C@@H](C)[N@@H+](CC(=O)[O-])Cc1ccc([N+](=O)[O-])cc1OC ZINC000520594181 379489645 /nfs/dbraw/zinc/48/96/45/379489645.db2.gz GGBRIEJUIXCBKQ-SNVBAGLBSA-N 0 1 296.323 2.289 20 5 CEBDMN O=[N+]([O-])c1ccc(CN2CCCC[C@H]2CCO)c(F)c1 ZINC000267085977 190302343 /nfs/dbraw/zinc/30/23/43/190302343.db2.gz ZNLMCJUFQRYIDS-LBPRGKRZSA-N 0 1 282.315 2.471 20 5 CEBDMN CC[C@@H](NC(=O)[C@H]1CCCN1C)c1cccc([N+](=O)[O-])c1 ZINC000267280761 190317548 /nfs/dbraw/zinc/31/75/48/190317548.db2.gz KSYYHVOUANBWAC-ZIAGYGMSSA-N 0 1 291.351 2.256 20 5 CEBDMN COCCN(Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CCO[C@@H]1C ZINC000489393989 380183284 /nfs/dbraw/zinc/18/32/84/380183284.db2.gz CXZYDIDSBYVHRV-IUODEOHRSA-N 0 1 294.351 2.221 20 5 CEBDMN COC(=O)[C@@]1(C)CCCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000412096735 533118034 /nfs/dbraw/zinc/11/80/34/533118034.db2.gz FZOGANLAJAMLTF-HNNXBMFYSA-N 0 1 292.335 2.370 20 5 CEBDMN CC(C)c1ccc(C(=O)N2CCNC[C@@H]2C)cc1[N+](=O)[O-] ZINC000422756483 394762242 /nfs/dbraw/zinc/76/22/42/394762242.db2.gz LOHJNSCQHZDUMN-NSHDSACASA-N 0 1 291.351 2.152 20 5 CEBDMN Cc1ccc([N+](=O)[O-])c(NCCN2CCCOCC2)c1 ZINC000275539803 394807894 /nfs/dbraw/zinc/80/78/94/394807894.db2.gz ZYOCKGFQMHTQJX-UHFFFAOYSA-N 0 1 279.340 2.037 20 5 CEBDMN C[C@@H]1CC2(CCC2)CN1Cc1c([N+](=O)[O-])ncn1C ZINC000365432931 394925330 /nfs/dbraw/zinc/92/53/30/394925330.db2.gz OTOFFWOIVHIFRZ-SNVBAGLBSA-N 0 1 264.329 2.093 20 5 CEBDMN O=C(Nc1cc(F)cc([N+](=O)[O-])c1)C12CCCN1CCC2 ZINC000415567192 394945253 /nfs/dbraw/zinc/94/52/53/394945253.db2.gz UFLJJBAZNFCPFT-UHFFFAOYSA-N 0 1 293.298 2.301 20 5 CEBDMN C[C@@H]1CC[N@@H+](C)CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000340377573 394985114 /nfs/dbraw/zinc/98/51/14/394985114.db2.gz ULDMWEFMAYGISA-LLVKDONJSA-N 0 1 292.339 2.153 20 5 CEBDMN O=[N+]([O-])c1ccc(O)cc1CSc1ncccn1 ZINC000436475819 395119600 /nfs/dbraw/zinc/11/96/00/395119600.db2.gz VYXOFEUAXJRMNI-UHFFFAOYSA-N 0 1 263.278 2.383 20 5 CEBDMN CCC1(C)CN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000291859960 395177399 /nfs/dbraw/zinc/17/73/99/395177399.db2.gz KDGIFHCQUOYLDT-ZDUSSCGKSA-N 0 1 264.325 2.360 20 5 CEBDMN COc1cc(N(C)C[C@@H]2CCC[N@H+]2C)c([N+](=O)[O-])cc1F ZINC000420636382 395395266 /nfs/dbraw/zinc/39/52/66/395395266.db2.gz NHEAANWGSYGPMK-JTQLQIEISA-N 0 1 297.330 2.273 20 5 CEBDMN C[C@H](NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@@H]1CCCO1 ZINC000444686838 395445685 /nfs/dbraw/zinc/44/56/85/395445685.db2.gz XXUQJAYUXXRHBP-ZANVPECISA-N 0 1 290.323 2.128 20 5 CEBDMN C[C@H](NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@H]1CCCO1 ZINC000444686837 395445638 /nfs/dbraw/zinc/44/56/38/395445638.db2.gz XXUQJAYUXXRHBP-TVQRCGJNSA-N 0 1 290.323 2.128 20 5 CEBDMN CCN(CC(=O)Nc1ccccc1[N+](=O)[O-])C(C)C ZINC000195527355 153290897 /nfs/dbraw/zinc/29/08/97/153290897.db2.gz UTRRYUJITMADRX-UHFFFAOYSA-N 0 1 265.313 2.264 20 5 CEBDMN Cc1ccc(NCCN2CCSCC2)c([N+](=O)[O-])c1 ZINC000223245352 153316007 /nfs/dbraw/zinc/31/60/07/153316007.db2.gz PZZNQGUMHOENLC-UHFFFAOYSA-N 0 1 281.381 2.364 20 5 CEBDMN Cc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@@H](C)C[C@H](C(=O)[O-])C1 ZINC000263062125 154011143 /nfs/dbraw/zinc/01/11/43/154011143.db2.gz MWNOIPJQEUFOQX-GWCFXTLKSA-N 0 1 292.335 2.446 20 5 CEBDMN O=C(Nc1cc2c(cn1)CCC2)c1cc(O)cc([N+](=O)[O-])c1 ZINC000359784664 155128599 /nfs/dbraw/zinc/12/85/99/155128599.db2.gz GOMQPDNIGYACLM-UHFFFAOYSA-N 0 1 299.286 2.436 20 5 CEBDMN O=[N+]([O-])c1ccc(N[C@H]2CCc3[nH]cnc3C2)cc1 ZINC000367908333 156255955 /nfs/dbraw/zinc/25/59/55/156255955.db2.gz ZNQGHAHRXZXVMV-JTQLQIEISA-N 0 1 258.281 2.287 20 5 CEBDMN O=[N+]([O-])c1ccccc1/C=C/CN1C[C@H]2CC[C@@H](C1)O2 ZINC000376494290 157233070 /nfs/dbraw/zinc/23/30/70/157233070.db2.gz DPIAJVPOYFGIAA-VDKLAZJHSA-N 0 1 274.320 2.471 20 5 CEBDMN C[C@@H](CO)[C@@H](C)NCc1c(Cl)cccc1[N+](=O)[O-] ZINC000167080492 165036267 /nfs/dbraw/zinc/03/62/67/165036267.db2.gz RBAZAMSJUSLGDM-DTWKUNHWSA-N 0 1 272.732 2.355 20 5 CEBDMN Cn1ncc2c1CCC[C@@H]2NCc1cccc([N+](=O)[O-])c1 ZINC000035274162 172093957 /nfs/dbraw/zinc/09/39/57/172093957.db2.gz CFCXOQFGCPVWPX-AWEZNQCLSA-N 0 1 286.335 2.496 20 5 CEBDMN O=C([O-])C[C@@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000038027753 174013776 /nfs/dbraw/zinc/01/37/76/174013776.db2.gz YQQYVVWYKHGGLH-ZDUSSCGKSA-N 0 1 278.308 2.424 20 5 CEBDMN CC(=O)NCC[N@H+](C)C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000566796760 299022649 /nfs/dbraw/zinc/02/26/49/299022649.db2.gz IIWXHJLSLHIFOB-XFXZXTDPSA-N 0 1 291.351 2.066 20 5 CEBDMN CC1(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)CC(F)(F)C1 ZINC000874854337 649855647 /nfs/dbraw/zinc/85/56/47/649855647.db2.gz KYNIKMUWGOLFBI-UHFFFAOYSA-N 0 1 286.234 2.218 20 5 CEBDMN O=[N+]([O-])c1cnc(N[C@H]2CCc3[nH]cnc3C2)c(Cl)c1 ZINC000370859869 275041652 /nfs/dbraw/zinc/04/16/52/275041652.db2.gz GIZBADZRYJUMJI-ZETCQYMHSA-N 0 1 293.714 2.336 20 5 CEBDMN CC(C)c1[nH]nc(C(=O)N2CCC=C(F)C2)c1[N+](=O)[O-] ZINC000273101246 276040467 /nfs/dbraw/zinc/04/04/67/276040467.db2.gz PQRKUDRSYPATLE-UHFFFAOYSA-N 0 1 282.275 2.141 20 5 CEBDMN C[C@@H]1c2ccccc2CCN1CCn1cc([N+](=O)[O-])cn1 ZINC000174852304 279134366 /nfs/dbraw/zinc/13/43/66/279134366.db2.gz BEBRMSPDXLMALL-GFCCVEGCSA-N 0 1 286.335 2.411 20 5 CEBDMN CC[C@@H]1CCCCCN1C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000408213661 280238516 /nfs/dbraw/zinc/23/85/16/280238516.db2.gz IGFOIFADICSHPZ-SNVBAGLBSA-N 0 1 280.328 2.421 20 5 CEBDMN C[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C[C@H]1C(=O)[O-] ZINC000573323762 314152691 /nfs/dbraw/zinc/15/26/91/314152691.db2.gz XTXFAGGQUSMZDK-JOYOIKCWSA-N 0 1 296.298 2.277 20 5 CEBDMN Cc1cc2[nH]ncc2cc1Nc1c([N+](=O)[O-])ncn1C ZINC000357745721 534129173 /nfs/dbraw/zinc/12/91/73/534129173.db2.gz KTGWUWLOPOPERD-UHFFFAOYSA-N 0 1 272.268 2.257 20 5 CEBDMN Cc1nc([C@@H](C)N(C)CCc2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000411694235 534536589 /nfs/dbraw/zinc/53/65/89/534536589.db2.gz NFCYEGDYUDBBBP-SNVBAGLBSA-N 0 1 289.339 2.257 20 5 CEBDMN CCc1ccc([C@@H]2CCCN2C(=O)[C@@H]2CC2[N+](=O)[O-])o1 ZINC000368657573 524037034 /nfs/dbraw/zinc/03/70/34/524037034.db2.gz HEBPAIYDYFBFIF-WOPDTQHZSA-N 0 1 278.308 2.171 20 5 CEBDMN CN(Cn1ncc2ccc([N+](=O)[O-])cc21)[C@@H]1CCSC1 ZINC000125224718 649875143 /nfs/dbraw/zinc/87/51/43/649875143.db2.gz MVKHILJMPMOTAI-GFCCVEGCSA-N 0 1 292.364 2.339 20 5 CEBDMN CC[C@@](C)(CC(=O)OC)NCc1csc([N+](=O)[O-])c1 ZINC000748241575 574437884 /nfs/dbraw/zinc/43/78/84/574437884.db2.gz AETIERQXNOEKQW-LBPRGKRZSA-N 0 1 286.353 2.478 20 5 CEBDMN CCN1CCN(c2nc3ccc([N+](=O)[O-])cc3s2)CC1 ZINC000729629213 574490084 /nfs/dbraw/zinc/49/00/84/574490084.db2.gz SZFQNVLXOYTWRR-UHFFFAOYSA-N 0 1 292.364 2.346 20 5 CEBDMN C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H](CNC(=O)[O-])C1 ZINC000739060782 574891847 /nfs/dbraw/zinc/89/18/47/574891847.db2.gz VRNCCFSVYLDPCK-WDEREUQCSA-N 0 1 293.323 2.245 20 5 CEBDMN CN(C[C@@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1)C(=O)[O-] ZINC000739665628 574930279 /nfs/dbraw/zinc/93/02/79/574930279.db2.gz MIFSZWWYMCLSIO-LBPRGKRZSA-N 0 1 293.323 2.027 20 5 CEBDMN O=C(OCc1cccc2c[nH]nc21)c1ccc([N+](=O)[O-])[nH]1 ZINC000745954079 575146079 /nfs/dbraw/zinc/14/60/79/575146079.db2.gz NNBVAYWLTIHPQN-UHFFFAOYSA-N 0 1 286.247 2.156 20 5 CEBDMN O=[N+]([O-])c1cc(F)c(N2CCc3cn[nH]c3C2)c(F)c1 ZINC000750566304 575269735 /nfs/dbraw/zinc/26/97/35/575269735.db2.gz IVQKXAHHXAFTRV-UHFFFAOYSA-N 0 1 280.234 2.159 20 5 CEBDMN C[N@@H+](Cc1csc([N+](=O)[O-])c1)C1CCN(C(=O)[O-])CC1 ZINC000828417122 603985368 /nfs/dbraw/zinc/98/53/68/603985368.db2.gz VYSFADCLQOOVIC-UHFFFAOYSA-N 0 1 299.352 2.231 20 5 CEBDMN O=C(Nc1ccc(C(F)(F)F)c(F)c1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000875846829 649967698 /nfs/dbraw/zinc/96/76/98/649967698.db2.gz PHCRKPKSTKPIRY-HZGVNTEJSA-N 0 1 292.188 2.448 20 5 CEBDMN COc1c(O)ccc(CN(C)[C@H]2CCSC2)c1[N+](=O)[O-] ZINC000891603609 623820698 /nfs/dbraw/zinc/82/06/98/623820698.db2.gz ZPWWZOICKRWSDK-JTQLQIEISA-N 0 1 298.364 2.246 20 5 CEBDMN CNC(=O)[C@H](C)CN(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000081554780 628179913 /nfs/dbraw/zinc/17/99/13/628179913.db2.gz QNLPPOKTCMVWBB-SECBINFHSA-N 0 1 299.758 2.062 20 5 CEBDMN Cc1c(C[N@@H+]2C[C@@H](C)[C@H](CC(=O)[O-])C2)cccc1[N+](=O)[O-] ZINC000902557659 634722378 /nfs/dbraw/zinc/72/23/78/634722378.db2.gz JKZWCWXYKZVPJW-ZWNOBZJWSA-N 0 1 292.335 2.446 20 5 CEBDMN CCN(Cc1ccc(O)c(OC)c1[N+](=O)[O-])C[C@@H](C)OC ZINC000894576691 629541411 /nfs/dbraw/zinc/54/14/11/629541411.db2.gz DMIHQPINXNBYRO-SNVBAGLBSA-N 0 1 298.339 2.166 20 5 CEBDMN Cc1nn(CN2C[C@@H]3[C@@H]4CC[C@@H](C4)[C@]3(C)C2)cc1[N+](=O)[O-] ZINC000902615775 634745698 /nfs/dbraw/zinc/74/56/98/634745698.db2.gz JEINHEAOQFZHLJ-COMQUAJESA-N 0 1 290.367 2.425 20 5 CEBDMN Cc1nc(COC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)n[nH]1 ZINC000795488016 629579956 /nfs/dbraw/zinc/57/99/56/629579956.db2.gz PSIXSLRGCQNIFB-UHFFFAOYSA-N 0 1 296.670 2.032 20 5 CEBDMN O=[N+]([O-])c1cc(Cl)ccc1CN[C@@H](CO)CCF ZINC000895177549 630006591 /nfs/dbraw/zinc/00/65/91/630006591.db2.gz GQWOMFOTKKWWSO-SNVBAGLBSA-N 0 1 276.695 2.058 20 5 CEBDMN CS[C@@H](C)[C@H](C)OC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000797208907 630176182 /nfs/dbraw/zinc/17/61/82/630176182.db2.gz KRGXSZGSTHNRCX-BQBZGAKWSA-N 0 1 258.299 2.220 20 5 CEBDMN C[C@@H]1C[C@H](NCCc2ccccc2[N+](=O)[O-])c2ncnn21 ZINC000925151955 631091595 /nfs/dbraw/zinc/09/15/95/631091595.db2.gz FWLBHTOMPIZWHM-PWSUYJOCSA-N 0 1 287.323 2.024 20 5 CEBDMN O=C(N[C@@H]1C[C@H]2CCC[C@H]21)c1cc(O)cc([N+](=O)[O-])c1 ZINC000889595997 632301579 /nfs/dbraw/zinc/30/15/79/632301579.db2.gz DVTDQXWSXQCLHV-BZHVJNSISA-N 0 1 276.292 2.219 20 5 CEBDMN Cc1cc(Br)cc(C)c1CNCC[N+](=O)[O-] ZINC000905074230 635813719 /nfs/dbraw/zinc/81/37/19/635813719.db2.gz FNMMWICOMZYTMJ-UHFFFAOYSA-N 0 1 287.157 2.432 20 5 CEBDMN O=C(Oc1cccc(Br)c1)[C@@H]1CC1[N+](=O)[O-] ZINC000840245541 632479578 /nfs/dbraw/zinc/47/95/78/632479578.db2.gz ATMFHSLFBOCNGD-RKDXNWHRSA-N 0 1 286.081 2.020 20 5 CEBDMN COc1ccc(CNC/C=C/Cl)cc1[N+](=O)[O-] ZINC000898434809 632495633 /nfs/dbraw/zinc/49/56/33/632495633.db2.gz AANCUMWBJSACSD-GORDUTHDSA-N 0 1 256.689 2.446 20 5 CEBDMN CCN(Cn1ncc2cc([N+](=O)[O-])ccc21)[C@@H]1CCOC1 ZINC000812298417 632504325 /nfs/dbraw/zinc/50/43/25/632504325.db2.gz MLXBPGXLGMWUBO-CYBMUJFWSA-N 0 1 290.323 2.013 20 5 CEBDMN Cc1nc([C@H]2CCN(c3ccc([N+](=O)[O-])cc3)C2)n[nH]1 ZINC000840378851 634134608 /nfs/dbraw/zinc/13/46/08/634134608.db2.gz VLOYMLTZRGQKOM-JTQLQIEISA-N 0 1 273.296 2.015 20 5 CEBDMN Cc1nnc([C@H]2CCN(c3ccc([N+](=O)[O-])cc3)C2)[nH]1 ZINC000840378851 634134617 /nfs/dbraw/zinc/13/46/17/634134617.db2.gz VLOYMLTZRGQKOM-JTQLQIEISA-N 0 1 273.296 2.015 20 5 CEBDMN CN1CC[C@@H]1CNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000902934957 634904555 /nfs/dbraw/zinc/90/45/55/634904555.db2.gz SYFUMMCJIAZTLZ-SECBINFHSA-N 0 1 298.730 2.074 20 5 CEBDMN COc1cc([C@H](C)N[C@@H]2C[C@]2(C)OC)cc([N+](=O)[O-])c1 ZINC000903204213 635011938 /nfs/dbraw/zinc/01/19/38/635011938.db2.gz RPRCTZPVDPJCLU-FZZIBODNSA-N 0 1 280.324 2.431 20 5 CEBDMN CCc1nc(CNCc2ccc([N+](=O)[O-])c(Cl)c2)n[nH]1 ZINC000824446496 635429822 /nfs/dbraw/zinc/42/98/22/635429822.db2.gz YFBBMNZYGAMPDM-UHFFFAOYSA-N 0 1 295.730 2.219 20 5 CEBDMN CC(C)(C)OCc1cccc(CNCC[N+](=O)[O-])c1 ZINC000905090816 635802536 /nfs/dbraw/zinc/80/25/36/635802536.db2.gz USWCHWCCTUGRNJ-UHFFFAOYSA-N 0 1 266.341 2.368 20 5 CEBDMN CC(C)c1ccc(O[C@@H](C)CNCC[N+](=O)[O-])cc1 ZINC000905255411 636176443 /nfs/dbraw/zinc/17/64/43/636176443.db2.gz HMCGKNWDTIRBLD-LBPRGKRZSA-N 0 1 266.341 2.444 20 5 CEBDMN CC(C)NCc1cn([C@H](C)c2ccccc2[N+](=O)[O-])nn1 ZINC000905800410 636465811 /nfs/dbraw/zinc/46/58/11/636465811.db2.gz WMCOXEGBPYQLFG-LLVKDONJSA-N 0 1 289.339 2.294 20 5 CEBDMN CC(C)O[C@@H]1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000828837384 636694896 /nfs/dbraw/zinc/69/48/96/636694896.db2.gz BSGCKYBQNWNPCG-HUUCEWRRSA-N 0 1 294.351 2.128 20 5 CEBDMN C[C@@H]1C[C@@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)CCS1 ZINC000834665458 637911574 /nfs/dbraw/zinc/91/15/74/637911574.db2.gz HPRGLRANJZXTJR-SCZZXKLOSA-N 0 1 296.348 2.314 20 5 CEBDMN C[C@@H]1C[C@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)CCS1 ZINC000834665457 637911844 /nfs/dbraw/zinc/91/18/44/637911844.db2.gz HPRGLRANJZXTJR-PSASIEDQSA-N 0 1 296.348 2.314 20 5 CEBDMN Cc1cc(N[C@H]2CC[N@@H+](C)[C@@H]2C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000910355082 638025308 /nfs/dbraw/zinc/02/53/08/638025308.db2.gz GFILNXJXRSTMCF-SKDRFNHKSA-N 0 1 293.323 2.106 20 5 CEBDMN CC(C)O[C@H]1C[C@@H](OC(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000836131357 638544463 /nfs/dbraw/zinc/54/44/63/638544463.db2.gz ZFESNSKYPLCVQY-DTORHVGOSA-N 0 1 268.269 2.036 20 5 CEBDMN COc1cc(COC(=O)[C@@H]2CC2[N+](=O)[O-])ccc1Cl ZINC000840674071 639520945 /nfs/dbraw/zinc/52/09/45/639520945.db2.gz FRUMQIFTOUNKPU-PSASIEDQSA-N 0 1 285.683 2.057 20 5 CEBDMN C[C@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccc(Cl)cn1 ZINC000841189387 639703029 /nfs/dbraw/zinc/70/30/29/639703029.db2.gz LNLWGYBGQRQXSM-SKWCMTHISA-N 0 1 270.672 2.004 20 5 CEBDMN C[C@H]1CCC[C@H](C)N(Cn2nccc2[N+](=O)[O-])C1 ZINC000172919228 639827545 /nfs/dbraw/zinc/82/75/45/639827545.db2.gz DVAHYBMWVJSWMX-QWRGUYRKSA-N 0 1 252.318 2.259 20 5 CEBDMN C[C@@H](COC(=O)[C@@H]1CC1[N+](=O)[O-])Oc1ccc(Cl)cc1 ZINC000842346003 640023913 /nfs/dbraw/zinc/02/39/13/640023913.db2.gz OPTSHEQWWZYOLY-XXILOJSOSA-N 0 1 299.710 2.316 20 5 CEBDMN CC[C@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccnc(Cl)c1 ZINC000842357546 640027369 /nfs/dbraw/zinc/02/73/69/640027369.db2.gz CZUHEPJAFOGNJK-BBBLOLIVSA-N 0 1 284.699 2.395 20 5 CEBDMN O=[N+]([O-])c1ccc(-c2ncn(CN3C4CCC3CC4)n2)cc1 ZINC000915203550 640526405 /nfs/dbraw/zinc/52/64/05/640526405.db2.gz WTCVKYXTLDCOFT-UHFFFAOYSA-N 0 1 299.334 2.438 20 5 CEBDMN CCON(C(=O)c1cc(O)cc([N+](=O)[O-])c1)C(C)C ZINC000844075355 640593081 /nfs/dbraw/zinc/59/30/81/640593081.db2.gz KNBXYJBVMIVRPH-UHFFFAOYSA-N 0 1 268.269 2.103 20 5 CEBDMN O=C([O-])[C@]12CCC[C@@H]1C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C2 ZINC000846283132 641259444 /nfs/dbraw/zinc/25/94/44/641259444.db2.gz DTCCIGJKOCNNKF-DOMZBBRYSA-N 0 1 290.319 2.282 20 5 CEBDMN O=C(Oc1cccc2sccc21)[C@@H]1CC1[N+](=O)[O-] ZINC000847118152 641574734 /nfs/dbraw/zinc/57/47/34/641574734.db2.gz JFUJNLGLXGEQDA-RKDXNWHRSA-N 0 1 263.274 2.472 20 5 CEBDMN C[C@H]1C[C@@H](OC(=O)c2ccc([N+](=O)[O-])[nH]2)CC(C)(C)C1=O ZINC000847933569 641839367 /nfs/dbraw/zinc/83/93/67/641839367.db2.gz VHPYSQYSGAPMSC-DTWKUNHWSA-N 0 1 294.307 2.474 20 5 CEBDMN CC(C)CN(C)Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1 ZINC000853492250 643788024 /nfs/dbraw/zinc/78/80/24/643788024.db2.gz JHCXSMLXIASFMS-UHFFFAOYSA-N 0 1 289.339 2.399 20 5 CEBDMN Cc1ccc([C@@H](C)N(C)C(=O)[C@@H]2CC2[N+](=O)[O-])c(C)c1 ZINC000839509550 644245093 /nfs/dbraw/zinc/24/50/93/644245093.db2.gz RSAXJYWWJHMHJK-MRVWCRGKSA-N 0 1 276.336 2.488 20 5 CEBDMN O=C(NCc1cccc(Cl)c1Cl)[C@@H]1CC1[N+](=O)[O-] ZINC000839507930 644245224 /nfs/dbraw/zinc/24/52/24/644245224.db2.gz CQYSPDPSPRJOQY-VXNVDRBHSA-N 0 1 289.118 2.275 20 5 CEBDMN COC1(COC(=O)c2ccc([N+](=O)[O-])[nH]2)CCCCC1 ZINC000754088928 644321878 /nfs/dbraw/zinc/32/18/78/644321878.db2.gz RAGNOSGBMWFWCN-UHFFFAOYSA-N 0 1 282.296 2.429 20 5 CEBDMN Cc1nn(CN2CC[C@H](C(C)C)C2)c(C)c1[N+](=O)[O-] ZINC000755918542 644581576 /nfs/dbraw/zinc/58/15/76/644581576.db2.gz CVVSVAHTYQQXDF-LBPRGKRZSA-N 0 1 266.345 2.344 20 5 CEBDMN CCOc1ccccc1[C@H](CC)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839622118 644756633 /nfs/dbraw/zinc/75/66/33/644756633.db2.gz OQMKANVWPKKAOR-FRRDWIJNSA-N 0 1 292.335 2.318 20 5 CEBDMN CN(CCC1CCCCC1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839624984 644757742 /nfs/dbraw/zinc/75/77/42/644757742.db2.gz KBVBLEAKDYBSME-VXGBXAGGSA-N 0 1 254.330 2.080 20 5 CEBDMN CC(C)[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccccc1 ZINC000839689374 644774013 /nfs/dbraw/zinc/77/40/13/644774013.db2.gz NWNOXEKIQQMVOX-UPJWGTAASA-N 0 1 262.309 2.165 20 5 CEBDMN O=C(N[C@@H]1CCC[C@H]1Cc1ccccc1)[C@@H]1CC1[N+](=O)[O-] ZINC000839687930 644774025 /nfs/dbraw/zinc/77/40/25/644774025.db2.gz NCUHPLAADPNBMN-GBJTYRQASA-N 0 1 288.347 2.179 20 5 CEBDMN C[C@@H]1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])[C@@H]2CCCC[C@@H]12 ZINC000839699311 644777255 /nfs/dbraw/zinc/77/72/55/644777255.db2.gz VQWHGSIYVRTXOW-NZEXEKPDSA-N 0 1 266.341 2.079 20 5 CEBDMN CC(C)CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CCCC1 ZINC000839701601 644778103 /nfs/dbraw/zinc/77/81/03/644778103.db2.gz YEWMQUCLXKMFQB-CHWSQXEVSA-N 0 1 268.357 2.469 20 5 CEBDMN C[C@@H]1[C@@H](CO)CCCN1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000839672380 644780434 /nfs/dbraw/zinc/78/04/34/644780434.db2.gz FVKQADUSYLENOP-ZYHUDNBSSA-N 0 1 282.315 2.327 20 5 CEBDMN CC(C)(CNC(=O)[C@@H]1CC1[N+](=O)[O-])C1CCCCC1 ZINC000839716614 644790857 /nfs/dbraw/zinc/79/08/57/644790857.db2.gz BKIHISAVPCFFJJ-VXGBXAGGSA-N 0 1 268.357 2.374 20 5 CEBDMN CN(Cc1ccc(F)c(Cl)c1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839743238 644801565 /nfs/dbraw/zinc/80/15/65/644801565.db2.gz ORBTVANFFBBFJJ-LDYMZIIASA-N 0 1 286.690 2.103 20 5 CEBDMN O=C(Nc1ccc(OC(F)F)cc1F)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839758512 644809490 /nfs/dbraw/zinc/80/94/90/644809490.db2.gz AXSOTTMSWNJBET-HZGVNTEJSA-N 0 1 290.197 2.031 20 5 CEBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC2(CCC2)[C@@H]1c1ccccc1 ZINC000839777035 644813608 /nfs/dbraw/zinc/81/36/08/644813608.db2.gz FSHPJRPITPZPQQ-MCIONIFRSA-N 0 1 286.331 2.405 20 5 CEBDMN O=[N+]([O-])c1cccc([C@@H](O)CN2CC(CC3CC3)C2)c1 ZINC000857211652 644849018 /nfs/dbraw/zinc/84/90/18/644849018.db2.gz CBQXSYBJSQTHFU-HNNXBMFYSA-N 0 1 276.336 2.360 20 5 CEBDMN C[C@H](c1ccccc1[N+](=O)[O-])N1CCN(C)[C@H](C)C1 ZINC000761076962 645232934 /nfs/dbraw/zinc/23/29/34/645232934.db2.gz QKBDRECHZISNKW-VXGBXAGGSA-N 0 1 263.341 2.292 20 5 CEBDMN O=C(OCc1cc(O)ccc1[N+](=O)[O-])C12CC(C1)C2 ZINC000860272719 645755290 /nfs/dbraw/zinc/75/52/90/645755290.db2.gz BACUANWGMIKHTN-UHFFFAOYSA-N 0 1 263.249 2.144 20 5 CEBDMN O=C(OCC1(C(F)(F)F)CCCC1)[C@@H]1CC1[N+](=O)[O-] ZINC000861313362 646121652 /nfs/dbraw/zinc/12/16/52/646121652.db2.gz WMJSEDRWQHUUPW-HTQZYQBOSA-N 0 1 281.230 2.318 20 5 CEBDMN CC1(C)CCC(C)(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000862968525 646608255 /nfs/dbraw/zinc/60/82/55/646608255.db2.gz WGYAKFZCZOCPKN-NXEZZACHSA-N 0 1 254.330 2.127 20 5 CEBDMN C[C@@H](CN(C)C(=O)[C@@H]1CC1[N+](=O)[O-])C1CCCCC1 ZINC000863046008 646622178 /nfs/dbraw/zinc/62/21/78/646622178.db2.gz GUKZIDDKCTWGQZ-CYZMBNFOSA-N 0 1 268.357 2.326 20 5 CEBDMN COCc1nc(C(=O)Nc2cc([N+](=O)[O-])ccc2F)co1 ZINC000776306141 647047709 /nfs/dbraw/zinc/04/77/09/647047709.db2.gz JMIFFQSSHFWFIS-UHFFFAOYSA-N 0 1 295.226 2.121 20 5 CEBDMN O=[N+]([O-])c1cc(CN[C@]23CCC[C@H]2OCC3)cs1 ZINC000865859781 647507952 /nfs/dbraw/zinc/50/79/52/647507952.db2.gz QFQXJJSPBDYOFR-PWSUYJOCSA-N 0 1 268.338 2.458 20 5 CEBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1C[C@@H]2C[C@]2(CO)C1 ZINC000782636750 647647887 /nfs/dbraw/zinc/64/78/87/647647887.db2.gz YJZPKZDGUZFALU-SLEUVZQESA-N 0 1 276.336 2.278 20 5 CEBDMN COC(=O)[C@H](CC(C)(C)C)OC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000782665827 647649434 /nfs/dbraw/zinc/64/94/34/647649434.db2.gz VGBIZUXGHQOTJI-VIFPVBQESA-N 0 1 298.295 2.058 20 5 CEBDMN CC1(C)C[C@H](OC(=O)c2ccc([N+](=O)[O-])[nH]2)CCO1 ZINC000785917746 647968883 /nfs/dbraw/zinc/96/88/83/647968883.db2.gz KAPDHKAQMTZJLW-MRVPVSSYSA-N 0 1 268.269 2.037 20 5 CEBDMN C[C@](N)(C(=O)NCC1(C)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000867947942 647998098 /nfs/dbraw/zinc/99/80/98/647998098.db2.gz MSMWRZDADNXFNA-OAHLLOKOSA-N 0 1 291.351 2.075 20 5 CEBDMN CC(C)CN(CC[N+](=O)[O-])C[C@H](O)c1ccc(F)cc1 ZINC000791051982 648476291 /nfs/dbraw/zinc/47/62/91/648476291.db2.gz JBJLQSYTPHBUCR-AWEZNQCLSA-N 0 1 284.331 2.094 20 5 CEBDMN COc1ccc([C@H]2CCCN2CC[N+](=O)[O-])cc1 ZINC000791053773 648477087 /nfs/dbraw/zinc/47/70/87/648477087.db2.gz PGHMRNFKNXGAJM-CYBMUJFWSA-N 0 1 250.298 2.109 20 5 CEBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC(F)(F)CC1 ZINC000794291956 648849081 /nfs/dbraw/zinc/84/90/81/648849081.db2.gz HELQTFNHQFHPIW-UHFFFAOYSA-N 0 1 286.234 2.172 20 5 CEBDMN C[C@H](NCCc1cnccn1)c1c(F)cccc1[N+](=O)[O-] ZINC000872052392 649256094 /nfs/dbraw/zinc/25/60/94/649256094.db2.gz DDMHABAUDFTNNS-JTQLQIEISA-N 0 1 290.298 2.417 20 5 CEBDMN CCN1CC[C@@H]1CNC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000879229168 651265137 /nfs/dbraw/zinc/26/51/37/651265137.db2.gz SEVMGHDMWKXYAI-GFCCVEGCSA-N 0 1 292.339 2.119 20 5 CEBDMN COc1ccc([N+](=O)[O-])cc1CN1CC[C@H](C(C)(C)O)C1 ZINC000880138975 651389893 /nfs/dbraw/zinc/38/98/93/651389893.db2.gz JQDVRXMNXYKKCB-LBPRGKRZSA-N 0 1 294.351 2.196 20 5 CEBDMN COc1ccc(CN2CC[C@@H](CF)C2)cc1[N+](=O)[O-] ZINC000880294607 651417537 /nfs/dbraw/zinc/41/75/37/651417537.db2.gz DGAORHUTTZRJAB-NSHDSACASA-N 0 1 268.288 2.395 20 5 CEBDMN CN[C@H](C)c1cn(Cc2ccc(Cl)c([N+](=O)[O-])c2)nn1 ZINC000881227098 651641541 /nfs/dbraw/zinc/64/15/41/651641541.db2.gz KCKCZLHKJVCKBM-MRVPVSSYSA-N 0 1 295.730 2.168 20 5 CEBDMN Cc1ccc(CNC(=O)CN(C)C2CCC2)cc1[N+](=O)[O-] ZINC000881435699 651722429 /nfs/dbraw/zinc/72/24/29/651722429.db2.gz KLQPUIKFFGZFHU-UHFFFAOYSA-N 0 1 291.351 2.004 20 5 CEBDMN CC(=O)c1c(N[C@H]2CCN(C3CC3)C2)cccc1[N+](=O)[O-] ZINC000881845168 651899204 /nfs/dbraw/zinc/89/92/04/651899204.db2.gz GSVJOXACFLAQLI-NSHDSACASA-N 0 1 289.335 2.446 20 5 CEBDMN Cc1cnc(Nc2ccc(O)c([N+](=O)[O-])c2)nc1C ZINC001210393048 802678991 /nfs/dbraw/zinc/67/89/91/802678991.db2.gz VCEWFSGUDSPQIM-UHFFFAOYSA-N 0 1 260.253 2.451 20 5 CEBDMN C[C@@]1(CO)CCCN1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000723038757 802789425 /nfs/dbraw/zinc/78/94/25/802789425.db2.gz ADALYYAEGLMVCC-ZDUSSCGKSA-N 0 1 268.288 2.081 20 5 CEBDMN CO[C@H]1CC[C@H]1N(C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000724123315 803047510 /nfs/dbraw/zinc/04/75/10/803047510.db2.gz WONZJGQFKKNDCO-OLZOCXBDSA-N 0 1 268.288 2.343 20 5 CEBDMN COc1ccc(O[C@H]2CCCN(C)C2)c([N+](=O)[O-])c1 ZINC001225770602 805278010 /nfs/dbraw/zinc/27/80/10/805278010.db2.gz YYJDTFGAFWQVDW-NSHDSACASA-N 0 1 266.297 2.076 20 5 CEBDMN CN1CCC[C@@H](Oc2cccc([N+](=O)[O-])c2F)C1 ZINC001225793610 805299616 /nfs/dbraw/zinc/29/96/16/805299616.db2.gz BYRMXANDKSVEOJ-SECBINFHSA-N 0 1 254.261 2.207 20 5 CEBDMN NCc1nccnc1Nc1cc2cccnc2c([N+](=O)[O-])c1 ZINC001171447408 815119753 /nfs/dbraw/zinc/11/97/53/815119753.db2.gz DQXAIECIHGQZII-UHFFFAOYSA-N 0 1 296.290 2.135 20 5 CEBDMN NCc1nccnc1Nc1ccc2cnccc2c1[N+](=O)[O-] ZINC001171447811 815129877 /nfs/dbraw/zinc/12/98/77/815129877.db2.gz OQDWJSKXFIBHPR-UHFFFAOYSA-N 0 1 296.290 2.135 20 5 CEBDMN C[C@H]1COC[C@H]1NCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000699789814 807845524 /nfs/dbraw/zinc/84/55/24/807845524.db2.gz QWEXXLJWERSWEE-GZMMTYOYSA-N 0 1 270.716 2.373 20 5 CEBDMN C[C@@H](O)CN(Cc1ccc([N+](=O)[O-])c(F)c1)C1CC1 ZINC000709492153 809962293 /nfs/dbraw/zinc/96/22/93/809962293.db2.gz NRYZKPKSGGNKMM-SECBINFHSA-N 0 1 268.288 2.079 20 5 CEBDMN C[C@@H](C(=O)OC(C)(C)C)N(C)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169039033 811348179 /nfs/dbraw/zinc/34/81/79/811348179.db2.gz MPRQFIQSRJXGSB-QJPTWQEYSA-N 0 1 286.372 2.094 20 5 CEBDMN O=C1C[C@H]2CCC[C@@H](C1)N2[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169038025 811349623 /nfs/dbraw/zinc/34/96/23/811349623.db2.gz VCZKVJNOIGCKTG-NDBYEHHHSA-N 0 1 266.341 2.018 20 5 CEBDMN COc1cnc(N=C(C)CC(=O)OC(C)C)c([N+](=O)[O-])c1 ZINC001156514030 811793917 /nfs/dbraw/zinc/79/39/17/811793917.db2.gz GSXJDYDFBKTYGM-UITAMQMPSA-N 0 1 295.295 2.266 20 5 CEBDMN CN1CC(CNc2ccc3cc(F)cc([N+](=O)[O-])c3n2)C1 ZINC001170252587 812372171 /nfs/dbraw/zinc/37/21/71/812372171.db2.gz BEBJIIHNHLEVHK-UHFFFAOYSA-N 0 1 290.298 2.256 20 5 CEBDMN COc1ccc(C[C@@H](C)N[C@@H]2C[C@H]2F)c([N+](=O)[O-])c1 ZINC001170304704 812379622 /nfs/dbraw/zinc/37/96/22/812379622.db2.gz FXNQWZHLCUXUBM-GGZOMVNGSA-N 0 1 268.288 2.234 20 5 CEBDMN [CH2]CC[N@H+](CCN)[C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170317268 812386180 /nfs/dbraw/zinc/38/61/80/812386180.db2.gz DJPLBCYRDUGNHM-GFCCVEGCSA-N 0 1 294.375 2.019 20 5 CEBDMN [CH2]CC[N@@H+](CCN)[C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170317268 812386190 /nfs/dbraw/zinc/38/61/90/812386190.db2.gz DJPLBCYRDUGNHM-GFCCVEGCSA-N 0 1 294.375 2.019 20 5 CEBDMN C[C@@H]1C[C@@H](OC(=O)[C@@H]2CC2[N+](=O)[O-])CC(C)(C)C1 ZINC001131558785 812687980 /nfs/dbraw/zinc/68/79/80/812687980.db2.gz OTNRGOIFSANBBX-GWOFURMSSA-N 0 1 255.314 2.410 20 5 CEBDMN CCCC=Nc1cc([N+](=O)[O-])cc(C(=O)OC)n1 ZINC001170767168 813312019 /nfs/dbraw/zinc/31/20/19/813312019.db2.gz OULVYNSMZPWAQN-SNAWJCMRSA-N 0 1 251.242 2.112 20 5 CEBDMN CC[C@@](N)(CO)Nc1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001170864881 813561097 /nfs/dbraw/zinc/56/10/97/813561097.db2.gz JYPUVVJDLLJBTM-JTQLQIEISA-N 0 1 293.245 2.083 20 5 CEBDMN Cc1ccc(OC(=O)[C@@H]2CC2[N+](=O)[O-])c2c1[C@H](C)CC2=O ZINC001124696095 815627003 /nfs/dbraw/zinc/62/70/03/815627003.db2.gz YQEAMRYJJZYRLO-OPRDCNLKSA-N 0 1 289.287 2.256 20 5 CEBDMN Cc1ccc([N+](=O)[O-])cc1N1N=C2CCC[C@H]2C1=O ZINC000601934704 346931232 /nfs/dbraw/zinc/93/12/32/346931232.db2.gz CSIFTLWOJNZYQM-SNVBAGLBSA-N 0 1 259.265 2.406 20 5 CEBDMN Cc1ccc([N+](=O)[O-])cc1-n1[nH]c2c(c1=O)CCC2 ZINC000601934704 346931235 /nfs/dbraw/zinc/93/12/35/346931235.db2.gz CSIFTLWOJNZYQM-SNVBAGLBSA-N 0 1 259.265 2.406 20 5 CEBDMN Cc1[nH]n(-c2ccc([N+](=O)[O-])cc2F)c(=O)c1C ZINC000601942233 346935416 /nfs/dbraw/zinc/93/54/16/346935416.db2.gz IVMMLJKLUCAFKW-ZCFIWIBFSA-N 0 1 251.217 2.093 20 5 CEBDMN O=c1c2c([nH]n1-c1ccc([N+](=O)[O-])cc1F)CCSC2 ZINC000601943460 346935901 /nfs/dbraw/zinc/93/59/01/346935901.db2.gz QFIJKOBCALOINX-MRVPVSSYSA-N 0 1 295.295 2.190 20 5 CEBDMN C[C@H]1CCCN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000028903720 343397636 /nfs/dbraw/zinc/39/76/36/343397636.db2.gz ABKPVUUETFDCKF-LBPRGKRZSA-N 0 1 291.351 2.290 20 5 CEBDMN O=[N+]([O-])c1ccccc1NCc1n[nH]c(C2CC2)n1 ZINC000295000970 199294135 /nfs/dbraw/zinc/29/41/35/199294135.db2.gz RNPRYSWTHRZQKA-UHFFFAOYSA-N 0 1 259.269 2.202 20 5 CEBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@H]1Cc1ccc(F)cc1 ZINC000056000186 343612508 /nfs/dbraw/zinc/61/25/08/343612508.db2.gz ADFKGMPZTQZVOJ-MJBXVCDLSA-N 0 1 292.310 2.024 20 5 CEBDMN CCN(CC(=O)Nc1cc([N+](=O)[O-])ccc1NC)C1CC1 ZINC000567965340 299102247 /nfs/dbraw/zinc/10/22/47/299102247.db2.gz CDCOZTYBGBDYOM-UHFFFAOYSA-N 0 1 292.339 2.059 20 5 CEBDMN Cc1[nH]ncc1CN(C)C(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000602167457 346985865 /nfs/dbraw/zinc/98/58/65/346985865.db2.gz NYDPOAIXPYKIGA-UHFFFAOYSA-N 0 1 288.307 2.207 20 5 CEBDMN CC(C)N1CCN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000075606156 343858880 /nfs/dbraw/zinc/85/88/80/343858880.db2.gz YWQORURCJSFGIN-UHFFFAOYSA-N 0 1 294.311 2.033 20 5 CEBDMN CCC1(O)CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000075858850 343869369 /nfs/dbraw/zinc/86/93/69/343869369.db2.gz OLUPEWXIXYWODW-UHFFFAOYSA-N 0 1 264.325 2.332 20 5 CEBDMN COc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H]([C@H](C)O)C1 ZINC000089931743 344132515 /nfs/dbraw/zinc/13/25/15/344132515.db2.gz FBIMKYZHUUVKHH-NWDGAFQWSA-N 0 1 294.351 2.196 20 5 CEBDMN C[C@@H](N(C)Cc1cn(C)nc1[N+](=O)[O-])C(C)(C)C ZINC000602443674 347035975 /nfs/dbraw/zinc/03/59/75/347035975.db2.gz HOUQRTGHKKFSAJ-SECBINFHSA-N 0 1 254.334 2.195 20 5 CEBDMN CCCN(C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000049480639 362367228 /nfs/dbraw/zinc/36/72/28/362367228.db2.gz CEEJTOLGPIYUGG-SNVBAGLBSA-N 0 1 265.313 2.264 20 5 CEBDMN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CC[C@@H](C)[C@@H](O)C1 ZINC000093342898 344221171 /nfs/dbraw/zinc/22/11/71/344221171.db2.gz JKPICXRDPYIFSV-SUNKGSAMSA-N 0 1 264.325 2.359 20 5 CEBDMN CN(CCCc1ccccc1)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602439176 347033135 /nfs/dbraw/zinc/03/31/35/347033135.db2.gz IOYMEMHRPGCHST-UHFFFAOYSA-N 0 1 288.351 2.393 20 5 CEBDMN O=[N+]([O-])c1ccc(CN2CC[C@@]3(CCOC3)C2)c(F)c1 ZINC000153811737 344430703 /nfs/dbraw/zinc/43/07/03/344430703.db2.gz KBANXKJBGBZCRY-CQSZACIVSA-N 0 1 280.299 2.346 20 5 CEBDMN COc1c(-c2nc([C@@H]3CCCN3)no2)cccc1[N+](=O)[O-] ZINC000228560705 344560671 /nfs/dbraw/zinc/56/06/71/344560671.db2.gz XCNBYJJHZFFKQP-VIFPVBQESA-N 0 1 290.279 2.078 20 5 CEBDMN Cc1ccc([N+](=O)[O-])c(-c2nc([C@@H]3CCCN3)no2)c1 ZINC000228560497 344561108 /nfs/dbraw/zinc/56/11/08/344561108.db2.gz FQUGKQKBDSKYST-JTQLQIEISA-N 0 1 274.280 2.378 20 5 CEBDMN Cc1ccc(OCc2nc(C(C)(C)N)no2)cc1[N+](=O)[O-] ZINC000314526575 344745810 /nfs/dbraw/zinc/74/58/10/344745810.db2.gz GYUGJXRSNIFQKI-UHFFFAOYSA-N 0 1 292.295 2.059 20 5 CEBDMN O=[N+]([O-])c1ccc2oc(CNC[C@H]3CCCCO3)nc2c1 ZINC000602522412 347065964 /nfs/dbraw/zinc/06/59/64/347065964.db2.gz UECWNXXLCVBCFC-LLVKDONJSA-N 0 1 291.307 2.395 20 5 CEBDMN Cc1nc([C@@H]2CCN(c3sccc3[N+](=O)[O-])C2)n[nH]1 ZINC000591197369 345229888 /nfs/dbraw/zinc/22/98/88/345229888.db2.gz JCXOSHQBSMUHNI-MRVPVSSYSA-N 0 1 279.325 2.077 20 5 CEBDMN Cc1nnc([C@@H]2CCN(c3sccc3[N+](=O)[O-])C2)[nH]1 ZINC000591197369 345229891 /nfs/dbraw/zinc/22/98/91/345229891.db2.gz JCXOSHQBSMUHNI-MRVPVSSYSA-N 0 1 279.325 2.077 20 5 CEBDMN C[C@H]1CC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C[C@@H]1C(=O)[O-] ZINC000592397733 345350105 /nfs/dbraw/zinc/35/01/05/345350105.db2.gz RYMDBEJHBYMMDG-UWVGGRQHSA-N 0 1 296.298 2.277 20 5 CEBDMN CCN(CCSC)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000592917636 345414214 /nfs/dbraw/zinc/41/42/14/345414214.db2.gz JUGFTMMVDFICEA-UHFFFAOYSA-N 0 1 284.337 2.126 20 5 CEBDMN C[C@@H]1[C@@H](C)N(C(=O)c2ccccc2[N+](=O)[O-])[C@@H](C)CN1C ZINC000593187200 345451156 /nfs/dbraw/zinc/45/11/56/345451156.db2.gz HBRYUHRXNFKSBJ-QJPTWQEYSA-N 0 1 291.351 2.148 20 5 CEBDMN CCOc1cc(C[N@H+]2CCC[C@@H]2C(=O)[O-])ccc1[N+](=O)[O-] ZINC000593730706 345528791 /nfs/dbraw/zinc/52/87/91/345528791.db2.gz PLNPOXSCXAGYNI-GFCCVEGCSA-N 0 1 294.307 2.043 20 5 CEBDMN C[C@H]1CCCN(Cc2cc([O-])ccc2[N+](=O)[O-])[C@@H]1CC[NH3+] ZINC000593733304 345529488 /nfs/dbraw/zinc/52/94/88/345529488.db2.gz LENPBAYCYYOGAB-SMDDNHRTSA-N 0 1 293.367 2.250 20 5 CEBDMN O=C([O-])c1ccc([N+](=O)[O-])c(C[N@H+]2CC[C@@H]3C[C@@H]3C2)c1 ZINC000595279475 345753311 /nfs/dbraw/zinc/75/33/11/345753311.db2.gz PXZDTNYSNBNQIT-MWLCHTKSSA-N 0 1 276.292 2.135 20 5 CEBDMN C[C@H](O)[C@H]1CCCCN1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595312429 345760149 /nfs/dbraw/zinc/76/01/49/345760149.db2.gz MLYAURMZMOIIMS-GXFFZTMASA-N 0 1 282.315 2.469 20 5 CEBDMN O=[N+]([O-])c1cc(CN[C@@H]2C[C@@H](O)C23CCC3)cs1 ZINC000594990334 345722493 /nfs/dbraw/zinc/72/24/93/345722493.db2.gz XDEJZDRLMYPCKA-NXEZZACHSA-N 0 1 268.338 2.049 20 5 CEBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N(C)Cc1n[nH]c(=O)o1 ZINC000595548271 345808950 /nfs/dbraw/zinc/80/89/50/345808950.db2.gz VABMJVKDMMVHGM-VIFPVBQESA-N 0 1 292.295 2.185 20 5 CEBDMN Cc1noc(CN2C[C@@H]3CCC[C@H]3C2)c1[N+](=O)[O-] ZINC000595339419 345764609 /nfs/dbraw/zinc/76/46/09/345764609.db2.gz OISRYIYHDZCTCL-UWVGGRQHSA-N 0 1 251.286 2.123 20 5 CEBDMN Cc1noc(CN2CC[C@H](C3CCOCC3)C2)c1[N+](=O)[O-] ZINC000595388718 345772221 /nfs/dbraw/zinc/77/22/21/345772221.db2.gz LLTILVXMOQZHTN-LBPRGKRZSA-N 0 1 295.339 2.140 20 5 CEBDMN C[C@@]1(CO)CCCN1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595439014 345782697 /nfs/dbraw/zinc/78/26/97/345782697.db2.gz VXOFUNLVCBTKQB-ZDUSSCGKSA-N 0 1 268.288 2.081 20 5 CEBDMN Cc1noc(CN2CCCCC[C@H]2C[C@H](C)O)c1[N+](=O)[O-] ZINC000595490160 345794307 /nfs/dbraw/zinc/79/43/07/345794307.db2.gz DSTIKDJOQYSJAB-JQWIXIFHSA-N 0 1 297.355 2.407 20 5 CEBDMN C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2F)C[C@@H](C)C1O ZINC000595746171 345864801 /nfs/dbraw/zinc/86/48/01/345864801.db2.gz YCUXATGBUHFVHD-NXEZZACHSA-N 0 1 282.315 2.183 20 5 CEBDMN Cc1cc(N2CCc3cn[nH]c3C2)c([N+](=O)[O-])s1 ZINC000596171922 345959316 /nfs/dbraw/zinc/95/93/16/345959316.db2.gz QADJHORGMLWPRX-UHFFFAOYSA-N 0 1 264.310 2.251 20 5 CEBDMN COCCN1CCCN(c2cc(C)sc2[N+](=O)[O-])CC1 ZINC000596078401 345934522 /nfs/dbraw/zinc/93/45/22/345934522.db2.gz VJQXKEBUZLOMHA-UHFFFAOYSA-N 0 1 299.396 2.123 20 5 CEBDMN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCCOCCF ZINC000596095062 345938848 /nfs/dbraw/zinc/93/88/48/345938848.db2.gz NYZGFJNTZWNSNJ-JTQLQIEISA-N 0 1 286.303 2.240 20 5 CEBDMN CC(C)(C)N1CC[C@H]1CNC(=O)c1csc([N+](=O)[O-])c1 ZINC000597858793 346239854 /nfs/dbraw/zinc/23/98/54/346239854.db2.gz PCINQBKKIKMPBJ-JTQLQIEISA-N 0 1 297.380 2.259 20 5 CEBDMN C[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000062876585 362727673 /nfs/dbraw/zinc/72/76/73/362727673.db2.gz XSXZJSSNOARNRI-CQSZACIVSA-N 0 1 278.308 2.282 20 5 CEBDMN O=C(NCC1CC=CC1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000600229500 346627661 /nfs/dbraw/zinc/62/76/61/346627661.db2.gz KXSCGGYNBGJUGW-UHFFFAOYSA-N 0 1 286.291 2.167 20 5 CEBDMN CC(C)n1ncnc1CNCCc1cccc([N+](=O)[O-])c1 ZINC000601115434 346757222 /nfs/dbraw/zinc/75/72/22/346757222.db2.gz ZNTRVSZIBZKLHG-UHFFFAOYSA-N 0 1 289.339 2.100 20 5 CEBDMN C/C=C/C[C@@H](CO)NCc1cc([N+](=O)[O-])ccc1OCC ZINC000603436893 347370121 /nfs/dbraw/zinc/37/01/21/347370121.db2.gz GRLHEVNRQKAWQH-LQPUYASZSA-N 0 1 294.351 2.410 20 5 CEBDMN CCN(CCC(F)(F)F)C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000604550187 347422121 /nfs/dbraw/zinc/42/21/21/347422121.db2.gz YNZFTXNWWGYZSD-UHFFFAOYSA-N 0 1 294.233 2.041 20 5 CEBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC[C@H]1C1CC1 ZINC000611555930 347794215 /nfs/dbraw/zinc/79/42/15/347794215.db2.gz NAPACKLSEWEDCN-ZDUSSCGKSA-N 0 1 276.292 2.315 20 5 CEBDMN CCc1[nH]ncc1C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000611891453 347824515 /nfs/dbraw/zinc/82/45/15/347824515.db2.gz SFCLFIAJIWYDNU-UHFFFAOYSA-N 0 1 290.279 2.141 20 5 CEBDMN C[C@H](C[N@@H+](C)[C@@H](C)c1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC000086807839 179339985 /nfs/dbraw/zinc/33/99/85/179339985.db2.gz NSBWDRMCBHHYIA-ZJUUUORDSA-N 0 1 266.297 2.308 20 5 CEBDMN Cc1ccc([C@@H](C)N[C@@H]2CCCN(C)C2=O)cc1[N+](=O)[O-] ZINC000351917778 219247294 /nfs/dbraw/zinc/24/72/94/219247294.db2.gz RCYWGOILWJLMTC-DGCLKSJQSA-N 0 1 291.351 2.175 20 5 CEBDMN CC[C@H](NCc1ccc([N+](=O)[O-])cc1)[C@H](O)C(F)(F)F ZINC000271002063 190902354 /nfs/dbraw/zinc/90/23/54/190902354.db2.gz QJDSJDOTSUEQCX-QWRGUYRKSA-N 0 1 292.257 2.386 20 5 CEBDMN C[C@@H]1CN(Cc2c(F)cccc2[N+](=O)[O-])C[C@H](C)N1C ZINC000339619723 215272363 /nfs/dbraw/zinc/27/23/63/215272363.db2.gz XNPRMPBWXRAPPN-PHIMTYICSA-N 0 1 281.331 2.258 20 5 CEBDMN CCN[C@H](C)c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000109504642 186257106 /nfs/dbraw/zinc/25/71/06/186257106.db2.gz UJCDDKFQEBBWIW-MRVPVSSYSA-N 0 1 262.269 2.315 20 5 CEBDMN O=[N+]([O-])c1ccc(CCNCc2nccs2)cc1 ZINC000070160755 363040024 /nfs/dbraw/zinc/04/00/24/363040024.db2.gz CPPCIFRDQCRORF-UHFFFAOYSA-N 0 1 263.322 2.384 20 5 CEBDMN COC(=O)[C@@H]1CCCN(Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000123211068 187078296 /nfs/dbraw/zinc/07/82/96/187078296.db2.gz DZRMCGAMDISVRM-CYBMUJFWSA-N 0 1 292.335 2.288 20 5 CEBDMN CC(C)(C)CCCCNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000152548774 188028528 /nfs/dbraw/zinc/02/85/28/188028528.db2.gz UVTGQPAWAQUACT-UHFFFAOYSA-N 0 1 268.317 2.264 20 5 CEBDMN CCN(CC(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000271731900 191294158 /nfs/dbraw/zinc/29/41/58/191294158.db2.gz SPZLBZLHEXTAFC-NSHDSACASA-N 0 1 291.351 2.256 20 5 CEBDMN COc1ccc([N+](=O)[O-])cc1CN1CC[C@@H](OC)[C@@H](C)C1 ZINC000451543681 283028028 /nfs/dbraw/zinc/02/80/28/283028028.db2.gz LPSHXXLKONFYIB-SMDDNHRTSA-N 0 1 294.351 2.460 20 5 CEBDMN C[C@@H]1C[N@@H+](Cc2csc([N+](=O)[O-])c2)C[C@]1(C)C(=O)[O-] ZINC000569935262 299228458 /nfs/dbraw/zinc/22/84/58/299228458.db2.gz LOMGMLVFQMDMHL-PELKAZGASA-N 0 1 284.337 2.199 20 5 CEBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1C[C@@H]2CCC[C@@H]2C1 ZINC000272687583 191866169 /nfs/dbraw/zinc/86/61/69/191866169.db2.gz PPAWHAXVWRGUFU-AOOOYVTPSA-N 0 1 276.292 2.173 20 5 CEBDMN CC(C)(C)OC(=O)NCCNCc1ccccc1[N+](=O)[O-] ZINC000134530630 366334037 /nfs/dbraw/zinc/33/40/37/366334037.db2.gz DEHYPWWJGWQADY-UHFFFAOYSA-N 0 1 295.339 2.209 20 5 CEBDMN C[C@@H]1CC[N@@H+](Cc2ccccc2[N+](=O)[O-])C[C@H]1C(=O)[O-] ZINC000570514529 299261409 /nfs/dbraw/zinc/26/14/09/299261409.db2.gz OZSYFKOPEYKYCG-ZYHUDNBSSA-N 0 1 278.308 2.137 20 5 CEBDMN CCn1cc(CN[C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)cn1 ZINC000294687072 199134014 /nfs/dbraw/zinc/13/40/14/199134014.db2.gz IKOIFPCSMZOTMO-JTQLQIEISA-N 0 1 289.339 2.244 20 5 CEBDMN COc1ccc(C[N@H+]2CCC[C@]2(C)C(=O)[O-])cc1[N+](=O)[O-] ZINC000079487378 363607332 /nfs/dbraw/zinc/60/73/32/363607332.db2.gz UJSFXPWESMXUPJ-CQSZACIVSA-N 0 1 294.307 2.043 20 5 CEBDMN O=C([O-])C[C@H]1CCCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000038027955 304082780 /nfs/dbraw/zinc/08/27/80/304082780.db2.gz DYMZEDLVNNIHBA-CQSZACIVSA-N 0 1 292.335 2.467 20 5 CEBDMN C[C@H](CO)[N@H+](Cc1cc([O-])ccc1[N+](=O)[O-])CC1CCC1 ZINC000339145096 366676285 /nfs/dbraw/zinc/67/62/85/366676285.db2.gz JRKJFHXLRHBEBH-LLVKDONJSA-N 0 1 294.351 2.283 20 5 CEBDMN Cc1c([C@H](C)NCc2cnn(C)c2)cccc1[N+](=O)[O-] ZINC000178513028 189122875 /nfs/dbraw/zinc/12/28/75/189122875.db2.gz BUUALRVUWXACQV-NSHDSACASA-N 0 1 274.324 2.488 20 5 CEBDMN Cc1ccc([C@H](C)NCC2(C)OCCO2)cc1[N+](=O)[O-] ZINC000179567101 189202875 /nfs/dbraw/zinc/20/28/75/189202875.db2.gz ZQXMJTUJJRDNEX-NSHDSACASA-N 0 1 280.324 2.317 20 5 CEBDMN CC1(C)CCCC[C@@H]1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000154064328 366755411 /nfs/dbraw/zinc/75/54/11/366755411.db2.gz DSTHVWXNCFELKQ-VIFPVBQESA-N 0 1 266.301 2.017 20 5 CEBDMN COc1cc(CN(C)C[C@H]2CCOC2)c([N+](=O)[O-])cc1F ZINC000184231162 189380018 /nfs/dbraw/zinc/38/00/18/189380018.db2.gz AGUUKAPQVVOVKL-SNVBAGLBSA-N 0 1 298.314 2.211 20 5 CEBDMN CCc1nc(CN[C@@H](C)c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000184622076 189391320 /nfs/dbraw/zinc/39/13/20/189391320.db2.gz FEBUZLBILIRNFP-VIFPVBQESA-N 0 1 275.312 2.126 20 5 CEBDMN O=[N+]([O-])c1ccc(NC[C@H]2CN3CCCC[C@H]3CO2)cc1 ZINC000301879032 201245699 /nfs/dbraw/zinc/24/56/99/201245699.db2.gz UNGAGPCZHZXERH-GJZGRUSLSA-N 0 1 291.351 2.260 20 5 CEBDMN O=[N+]([O-])c1ccc(CCN2CCOC[C@@H]2C2CC2)cc1 ZINC000090010119 364035729 /nfs/dbraw/zinc/03/57/29/364035729.db2.gz PAAAGDXACPPFSB-OAHLLOKOSA-N 0 1 276.336 2.248 20 5 CEBDMN O=[N+]([O-])c1ccc(N[C@@H]2CCN(Cc3ccco3)C2)nc1 ZINC000093534214 364197750 /nfs/dbraw/zinc/19/77/50/364197750.db2.gz OZWNLAUBPLFRMM-LLVKDONJSA-N 0 1 288.307 2.269 20 5 CEBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCCC[C@H]1c1ccccc1 ZINC000364000876 296065485 /nfs/dbraw/zinc/06/54/85/296065485.db2.gz KUVQWBDDKANGLR-RDBSUJKOSA-N 0 1 274.320 2.405 20 5 CEBDMN CC[C@]1(CO)CCCN1Cc1ccc([N+](=O)[O-])cc1F ZINC000275822691 193139054 /nfs/dbraw/zinc/13/90/54/193139054.db2.gz KBTMVZPEHHKJQE-CQSZACIVSA-N 0 1 282.315 2.471 20 5 CEBDMN C[C@@H]1CCC[C@H](CCNC(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000160050824 366968113 /nfs/dbraw/zinc/96/81/13/366968113.db2.gz LSINPRMKHWAIDY-NXEZZACHSA-N 0 1 280.328 2.264 20 5 CEBDMN C[C@H]1CCC[C@H](CCNC(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000160050954 366968553 /nfs/dbraw/zinc/96/85/53/366968553.db2.gz LSINPRMKHWAIDY-VHSXEESVSA-N 0 1 280.328 2.264 20 5 CEBDMN O=C(N[C@@H]1CCC[C@@H]1F)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000340837037 367050239 /nfs/dbraw/zinc/05/02/39/367050239.db2.gz ZNFTVMYNWUFKQT-GXSJLCMTSA-N 0 1 292.270 2.092 20 5 CEBDMN Cc1nc(NCCc2ccc3cn[nH]c3c2)ccc1[N+](=O)[O-] ZINC000343059768 216644908 /nfs/dbraw/zinc/64/49/08/216644908.db2.gz HTJMMCLRSPKSHX-UHFFFAOYSA-N 0 1 297.318 2.251 20 5 CEBDMN C[C@H](O)[C@H]1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000162864265 367198149 /nfs/dbraw/zinc/19/81/49/367198149.db2.gz QXNZPQOZKVCYQA-UWVGGRQHSA-N 0 1 284.743 2.451 20 5 CEBDMN C[C@H]1CSCCN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000172591944 367782283 /nfs/dbraw/zinc/78/22/83/367782283.db2.gz GTTUNUVWANSRJY-NSHDSACASA-N 0 1 282.365 2.411 20 5 CEBDMN C[C@H](NCC1(C)OCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000179576172 368342652 /nfs/dbraw/zinc/34/26/52/368342652.db2.gz JGWKRKMMDRMVNU-JTQLQIEISA-N 0 1 266.297 2.008 20 5 CEBDMN C[C@H]1[C@@H](C(F)(F)F)CCN1CCn1ccc([N+](=O)[O-])n1 ZINC000348275572 368980258 /nfs/dbraw/zinc/98/02/58/368980258.db2.gz JQSMPQZJVMFSDR-IUCAKERBSA-N 0 1 292.261 2.064 20 5 CEBDMN CC1(CO)CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC000186947353 369073111 /nfs/dbraw/zinc/07/31/11/369073111.db2.gz KZKWDOCIMWXYBF-UHFFFAOYSA-N 0 1 264.325 2.189 20 5 CEBDMN CCN(C)C(=O)CN[C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000186818348 369050944 /nfs/dbraw/zinc/05/09/44/369050944.db2.gz NXNAYMCLNVTURN-NSHDSACASA-N 0 1 279.340 2.032 20 5 CEBDMN Cc1ccc(NCCN2CCCOCC2)c([N+](=O)[O-])c1 ZINC000188491978 369365075 /nfs/dbraw/zinc/36/50/75/369365075.db2.gz QJUOEEGIQRTUMX-UHFFFAOYSA-N 0 1 279.340 2.037 20 5 CEBDMN C[C@@H]1CC[C@H](C)N1CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000330889537 203359021 /nfs/dbraw/zinc/35/90/21/203359021.db2.gz BKAXGOTZCRRUOW-PHIMTYICSA-N 0 1 277.324 2.406 20 5 CEBDMN CCOc1ccc([N+](=O)[O-])cc1CN1C[C@@H](C)[C@H](CO)C1 ZINC000191725767 369737682 /nfs/dbraw/zinc/73/76/82/369737682.db2.gz WWOQMWKZRDHUNR-YPMHNXCESA-N 0 1 294.351 2.054 20 5 CEBDMN Cc1cc(C[C@H](C)Nc2ncc([N+](=O)[O-])s2)[nH]n1 ZINC000192497416 369820324 /nfs/dbraw/zinc/82/03/24/369820324.db2.gz DAMLCBJFWZBOQD-LURJTMIESA-N 0 1 267.314 2.126 20 5 CEBDMN CC(C)N(Cc1ccc([N+](=O)[O-])cc1F)C[C@H](C)O ZINC000352691091 369839304 /nfs/dbraw/zinc/83/93/04/369839304.db2.gz IPWSUKBNBANOKO-JTQLQIEISA-N 0 1 270.304 2.325 20 5 CEBDMN Nc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc2nc[nH]c2c1 ZINC000354424505 370357321 /nfs/dbraw/zinc/35/73/21/370357321.db2.gz ZYCOEHBKHJHMEX-UHFFFAOYSA-N 0 1 297.274 2.306 20 5 CEBDMN C[C@@H]1CCC[C@@H](C)N1Cc1c([N+](=O)[O-])ncn1C ZINC000355344731 370554416 /nfs/dbraw/zinc/55/44/16/370554416.db2.gz DWFLEJAUYVXDLN-NXEZZACHSA-N 0 1 252.318 2.091 20 5 CEBDMN CO[C@@H]1CN(Cc2ccccc2[N+](=O)[O-])CC[C@@H]1C ZINC000251645923 371410129 /nfs/dbraw/zinc/41/01/29/371410129.db2.gz HIOFTXZJUYPNJA-SMDDNHRTSA-N 0 1 264.325 2.452 20 5 CEBDMN Cc1c(-c2nc(C3(N)CCC3)no2)cccc1[N+](=O)[O-] ZINC000261761257 371724332 /nfs/dbraw/zinc/72/43/32/371724332.db2.gz MKNUBXUXQSTBNU-UHFFFAOYSA-N 0 1 274.280 2.291 20 5 CEBDMN NC1(c2noc(/C=C/c3ccc([N+](=O)[O-])cc3)n2)CCC1 ZINC000261857308 371753594 /nfs/dbraw/zinc/75/35/94/371753594.db2.gz UCAPJXHXONOSLV-QPJJXVBHSA-N 0 1 286.291 2.486 20 5 CEBDMN O=[N+]([O-])c1ccc(N[C@@H]2CCCc3cn[nH]c32)nc1 ZINC000268833661 372246556 /nfs/dbraw/zinc/24/65/56/372246556.db2.gz NALOSCFZYSFSSF-SNVBAGLBSA-N 0 1 259.269 2.202 20 5 CEBDMN Cc1c(CN[C@@H](C)c2cn[nH]c2)cccc1[N+](=O)[O-] ZINC000274123069 373817996 /nfs/dbraw/zinc/81/79/96/373817996.db2.gz VJHYJSNHQDVKFL-JTQLQIEISA-N 0 1 260.297 2.477 20 5 CEBDMN CCc1[nH]nc(C(=O)N2CCC[C@@H]2C(C)C)c1[N+](=O)[O-] ZINC000277744897 193746145 /nfs/dbraw/zinc/74/61/45/193746145.db2.gz QFCUVYMANHVFLE-SNVBAGLBSA-N 0 1 280.328 2.141 20 5 CEBDMN Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)[C@H]2CC2[N+](=O)[O-])C1 ZINC000377786264 374952002 /nfs/dbraw/zinc/95/20/02/374952002.db2.gz ULSFYFMEDPNTKX-NEBZKDRISA-N 0 1 288.347 2.365 20 5 CEBDMN COCc1cc([N+](=O)[O-])ccc1NCCN1CC=CCC1 ZINC000280338335 375174340 /nfs/dbraw/zinc/17/43/40/375174340.db2.gz VLJUITWJSLJXPZ-UHFFFAOYSA-N 0 1 291.351 2.415 20 5 CEBDMN COc1ccc([N+](=O)[O-])c(NCCN2CC=CCC2)c1 ZINC000280375287 375187698 /nfs/dbraw/zinc/18/76/98/375187698.db2.gz YXGWCTYBVPVMCV-UHFFFAOYSA-N 0 1 277.324 2.277 20 5 CEBDMN CCc1[nH]nc(C(=O)N2CCCCC[C@H]2C)c1[N+](=O)[O-] ZINC000408439821 375481674 /nfs/dbraw/zinc/48/16/74/375481674.db2.gz VRJAMXHYPAZSEO-SECBINFHSA-N 0 1 280.328 2.285 20 5 CEBDMN CC(C)(NC(=O)c1n[nH]cc1[N+](=O)[O-])c1cccs1 ZINC000412419317 375553432 /nfs/dbraw/zinc/55/34/32/375553432.db2.gz QQTLXDIAPONYIC-UHFFFAOYSA-N 0 1 280.309 2.045 20 5 CEBDMN Cc1c([C@@H](C)N[C@H](C)C(=O)NC(C)C)cccc1[N+](=O)[O-] ZINC000414329206 375832791 /nfs/dbraw/zinc/83/27/91/375832791.db2.gz AUBFBXFZBMDARV-VXGBXAGGSA-N 0 1 293.367 2.467 20 5 CEBDMN CCn1c(C)nc([N+](=O)[O-])c1N[C@H]1CCCc2cn[nH]c21 ZINC000288049026 376366729 /nfs/dbraw/zinc/36/67/29/376366729.db2.gz AJGLWZJCFIBMKV-JTQLQIEISA-N 0 1 290.327 2.332 20 5 CEBDMN O=C(N[C@@H]1CC[C@@H]2CCCC[C@H]2C1)c1n[nH]cc1[N+](=O)[O-] ZINC000332150352 377529407 /nfs/dbraw/zinc/52/94/07/377529407.db2.gz LMAHIVPXYFFUKH-GARJFASQSA-N 0 1 292.339 2.407 20 5 CEBDMN Cc1n[nH]c(C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)c1C ZINC000265236383 190167996 /nfs/dbraw/zinc/16/79/96/190167996.db2.gz PFVJIUJIQURDCB-JTQLQIEISA-N 0 1 288.307 2.426 20 5 CEBDMN C[C@@H](c1ccccc1[N+](=O)[O-])N(C)C1CC(O)C1 ZINC000332438790 377603043 /nfs/dbraw/zinc/60/30/43/377603043.db2.gz JHTIWTKOBUINCM-WHXUTIOJSA-N 0 1 250.298 2.111 20 5 CEBDMN CCc1[nH]nc(C(=O)N2C[C@H](C)C[C@H]2CC)c1[N+](=O)[O-] ZINC000332732976 377686726 /nfs/dbraw/zinc/68/67/26/377686726.db2.gz WNCZCUBICXHLFV-RKDXNWHRSA-N 0 1 280.328 2.141 20 5 CEBDMN CCc1nc(NC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000566774777 377769558 /nfs/dbraw/zinc/76/95/58/377769558.db2.gz XAOLKYIGOLVPBY-QMMMGPOBSA-N 0 1 289.295 2.018 20 5 CEBDMN CCc1n[nH]c(NC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC000566774777 377769563 /nfs/dbraw/zinc/76/95/63/377769563.db2.gz XAOLKYIGOLVPBY-QMMMGPOBSA-N 0 1 289.295 2.018 20 5 CEBDMN Cc1ccc(CN2C[C@H](C)C[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000449767033 378229295 /nfs/dbraw/zinc/22/92/95/378229295.db2.gz POFWUYFMIAUKIZ-ZWNOBZJWSA-N 0 1 264.325 2.106 20 5 CEBDMN COC(=O)[C@H]1CCN(Cc2ccc(C)c([N+](=O)[O-])c2)[C@H]1C ZINC000347271781 218175044 /nfs/dbraw/zinc/17/50/44/218175044.db2.gz SEVQPFVELVFMTJ-AAEUAGOBSA-N 0 1 292.335 2.287 20 5 CEBDMN C[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)[C@H]1C(=O)[O-] ZINC000300292379 379161628 /nfs/dbraw/zinc/16/16/28/379161628.db2.gz CZCCKICIHZFCIS-GXFFZTMASA-N 0 1 278.308 2.280 20 5 CEBDMN O=C([O-])[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000299979564 379148200 /nfs/dbraw/zinc/14/82/00/379148200.db2.gz FIUMXNOMHPBFFH-UBHSHLNASA-N 0 1 290.319 2.280 20 5 CEBDMN C[C@H](C[S@@](C)=O)N(C)[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000520428324 379468973 /nfs/dbraw/zinc/46/89/73/379468973.db2.gz QPSNBPVBEWHYGX-REWMRKHYSA-N 0 1 296.392 2.281 20 5 CEBDMN O=[N+]([O-])c1cc(CN(CCO)C2CCCC2)cs1 ZINC000267393874 190326702 /nfs/dbraw/zinc/32/67/02/190326702.db2.gz DOUJAYGDCZDEQY-UHFFFAOYSA-N 0 1 270.354 2.393 20 5 CEBDMN Cc1[nH]nc(C(=O)N(CC2CC2)CC2CCC2)c1[N+](=O)[O-] ZINC000279998704 194661214 /nfs/dbraw/zinc/66/12/14/194661214.db2.gz JZEZFESMVKESMM-UHFFFAOYSA-N 0 1 292.339 2.279 20 5 CEBDMN O=[N+]([O-])c1cccnc1N1CCN(CCCCCF)CC1 ZINC000297298982 285165976 /nfs/dbraw/zinc/16/59/76/285165976.db2.gz AHEPMLJINJROBK-UHFFFAOYSA-N 0 1 296.346 2.252 20 5 CEBDMN CN(C)[C@@H](CNc1ncc([N+](=O)[O-])cc1F)c1ccco1 ZINC000413021944 394464262 /nfs/dbraw/zinc/46/42/62/394464262.db2.gz BZKUMRKVFSUABL-NSHDSACASA-N 0 1 294.286 2.437 20 5 CEBDMN Cc1cc(N2CCN(C)CC2)c2cccc([N+](=O)[O-])c2n1 ZINC000301990540 394469554 /nfs/dbraw/zinc/46/95/54/394469554.db2.gz FPAHSFSBUDYZJN-UHFFFAOYSA-N 0 1 286.335 2.203 20 5 CEBDMN CC(C)c1[nH]nc(C(=O)N2CCS[C@H](C)C2)c1[N+](=O)[O-] ZINC000269460179 394718162 /nfs/dbraw/zinc/71/81/62/394718162.db2.gz SGJCQWNTLNENQF-MRVPVSSYSA-N 0 1 298.368 2.019 20 5 CEBDMN CO[C@@H]1CCN([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000361371752 394825036 /nfs/dbraw/zinc/82/50/36/394825036.db2.gz YXEZWOZUHYNMMS-GXFFZTMASA-N 0 1 250.298 2.377 20 5 CEBDMN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCN[C@@H](C)C1 ZINC000415478203 394935936 /nfs/dbraw/zinc/93/59/36/394935936.db2.gz CSFXSXWTHZFVFU-NSHDSACASA-N 0 1 292.339 2.037 20 5 CEBDMN C[C@@H](c1ccccc1[N+](=O)[O-])N1C[C@@H](O)C2(CC2)C1 ZINC000494699628 395136094 /nfs/dbraw/zinc/13/60/94/395136094.db2.gz QPLOKNUFQWAUHN-GXFFZTMASA-N 0 1 262.309 2.113 20 5 CEBDMN O=[N+]([O-])c1ccc(O)cc1Cn1cnc2c1CCCC2 ZINC000331928092 296508304 /nfs/dbraw/zinc/50/83/04/296508304.db2.gz DANMNTVYCKDOJS-UHFFFAOYSA-N 0 1 273.292 2.424 20 5 CEBDMN Cc1[nH]nc(C(=O)N2CCC[C@@H](C(C)C)C2)c1[N+](=O)[O-] ZINC000444521205 395434646 /nfs/dbraw/zinc/43/46/46/395434646.db2.gz LMMIDJWRKYWHKX-SNVBAGLBSA-N 0 1 280.328 2.135 20 5 CEBDMN CCC1(CC)CCN(Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000446739981 395497936 /nfs/dbraw/zinc/49/79/36/395497936.db2.gz ZJGIIHSELJAAPB-UHFFFAOYSA-N 0 1 266.345 2.340 20 5 CEBDMN CCN1CCN(c2nccc3c2cccc3[N+](=O)[O-])CC1 ZINC000450209755 395566772 /nfs/dbraw/zinc/56/67/72/395566772.db2.gz XWHSUCGHXPJREJ-UHFFFAOYSA-N 0 1 286.335 2.285 20 5 CEBDMN COc1ccc([N+](=O)[O-])c(N2CC[C@H](N3CC=CC3)C2)c1 ZINC000266272827 286383012 /nfs/dbraw/zinc/38/30/12/286383012.db2.gz RJDHRWZEUZIXJJ-LBPRGKRZSA-N 0 1 289.335 2.054 20 5 CEBDMN C[C@@H]1C[C@H](C)N(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000408150776 165696312 /nfs/dbraw/zinc/69/63/12/165696312.db2.gz RTEYWCOXUQADPX-BDAKNGLRSA-N 0 1 288.307 2.342 20 5 CEBDMN C[C@@H](c1cccc([N+](=O)[O-])c1)N1C[C@@H](O)C2(CC2)C1 ZINC000364316413 287144746 /nfs/dbraw/zinc/14/47/46/287144746.db2.gz LZRCLESJESUAKJ-GXFFZTMASA-N 0 1 262.309 2.113 20 5 CEBDMN O=C([O-])[C@H]1CCC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000035308487 172121344 /nfs/dbraw/zinc/12/13/44/172121344.db2.gz RGRSBOLMFZTMNF-VIFPVBQESA-N 0 1 282.271 2.031 20 5 CEBDMN CO[C@@H](C)CNCc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000191149188 226531047 /nfs/dbraw/zinc/53/10/47/226531047.db2.gz NEMNBVFGQFLWBE-QMMMGPOBSA-N 0 1 290.266 2.321 20 5 CEBDMN Cn1cnc([N+](=O)[O-])c1CNC(C)(C)c1ccccc1 ZINC000355933726 228055872 /nfs/dbraw/zinc/05/58/72/228055872.db2.gz ONJHYVSBPNRCFA-UHFFFAOYSA-N 0 1 274.324 2.353 20 5 CEBDMN CC(C)N1CCN(c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000298330863 273533147 /nfs/dbraw/zinc/53/31/47/273533147.db2.gz YVXSIOZHIJZBTO-UHFFFAOYSA-N 0 1 267.304 2.264 20 5 CEBDMN COc1cc([N+](=O)[O-])ccc1CN1CC[C@H](C)[C@@H](OC)C1 ZINC000430194217 271361564 /nfs/dbraw/zinc/36/15/64/271361564.db2.gz IKGHUJIARHXBTR-NHYWBVRUSA-N 0 1 294.351 2.460 20 5 CEBDMN C[C@@H]1CN(c2ccc(F)cc2[N+](=O)[O-])[C@H](C)CN1C ZINC000351509825 274363787 /nfs/dbraw/zinc/36/37/87/274363787.db2.gz MWRWZFZUTQGQGM-NXEZZACHSA-N 0 1 267.304 2.263 20 5 CEBDMN CC(C)CCN1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000298710636 275562854 /nfs/dbraw/zinc/56/28/54/275562854.db2.gz KEIIDWVHOLLUCI-UHFFFAOYSA-N 0 1 278.356 2.158 20 5 CEBDMN CCN(C)C(=O)[C@@H](NCc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000295011370 276067882 /nfs/dbraw/zinc/06/78/82/276067882.db2.gz JLZALUGYPQUPID-AWEZNQCLSA-N 0 1 293.367 2.187 20 5 CEBDMN CCN1CCCN(c2sccc2[N+](=O)[O-])CC1 ZINC000301939379 276165354 /nfs/dbraw/zinc/16/53/54/276165354.db2.gz SVVBUWCXTWZHJT-UHFFFAOYSA-N 0 1 255.343 2.188 20 5 CEBDMN COc1cccc(N2CC[C@H](N3CC=CC3)C2)c1[N+](=O)[O-] ZINC000185484015 278016778 /nfs/dbraw/zinc/01/67/78/278016778.db2.gz XHQJUFNAVOMDGF-LBPRGKRZSA-N 0 1 289.335 2.054 20 5 CEBDMN CC[C@H]1CCN1C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000347610904 281101776 /nfs/dbraw/zinc/10/17/76/281101776.db2.gz JMCHEHMPHKNBMN-QMMMGPOBSA-N 0 1 266.301 2.066 20 5 CEBDMN CCc1[nH]nc(C(=O)N2CC(C)(C)[C@@H]2C2CC2)c1[N+](=O)[O-] ZINC000368356174 281362510 /nfs/dbraw/zinc/36/25/10/281362510.db2.gz WXIWSIHCRFRXGM-LBPRGKRZSA-N 0 1 292.339 2.141 20 5 CEBDMN O=C(c1ccn[nH]1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000152429624 289088431 /nfs/dbraw/zinc/08/84/31/289088431.db2.gz JLBFRNVRNMRBBV-UHFFFAOYSA-N 0 1 286.291 2.123 20 5 CEBDMN CO[C@@H]1COC[C@@H]1NCc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000459746946 290225347 /nfs/dbraw/zinc/22/53/47/290225347.db2.gz CIKLFTWMVMYGBK-DZGCQCFKSA-N 0 1 294.351 2.222 20 5 CEBDMN C[C@@H]1CN(c2ccc(F)cc2[N+](=O)[O-])[C@@H](C)CN1C ZINC000351509828 297079018 /nfs/dbraw/zinc/07/90/18/297079018.db2.gz MWRWZFZUTQGQGM-ZJUUUORDSA-N 0 1 267.304 2.263 20 5 CEBDMN O=[N+]([O-])c1ccn(CCN2CCC[C@H]2c2ccccn2)n1 ZINC000530963162 298090063 /nfs/dbraw/zinc/09/00/63/298090063.db2.gz VDSLPRZVURTVLI-ZDUSSCGKSA-N 0 1 287.323 2.023 20 5 CEBDMN NC1(c2noc(/C=C\c3cccc([N+](=O)[O-])c3)n2)CCC1 ZINC000566068120 313847059 /nfs/dbraw/zinc/84/70/59/313847059.db2.gz TVYGXUPCFBSOGN-WAYWQWQTSA-N 0 1 286.291 2.486 20 5 CEBDMN CC[N@@H+](CCNc1ccc([N+](=O)[O-])c(C(=O)[O-])c1)C(C)C ZINC000573492940 314162618 /nfs/dbraw/zinc/16/26/18/314162618.db2.gz FDHMYGFTMIPPGT-UHFFFAOYSA-N 0 1 295.339 2.435 20 5 CEBDMN Cc1c(CN2CCCO[C@H](CF)C2)cccc1[N+](=O)[O-] ZINC000411851785 533843607 /nfs/dbraw/zinc/84/36/07/533843607.db2.gz HDMKOJFWDBETSQ-CYBMUJFWSA-N 0 1 282.315 2.464 20 5 CEBDMN CCCN(C)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000069093142 521512769 /nfs/dbraw/zinc/51/27/69/521512769.db2.gz JPBXUYZVOQUAKE-SNVBAGLBSA-N 0 1 295.339 2.272 20 5 CEBDMN CC[C@@H](C)N(C)CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000068449914 522049644 /nfs/dbraw/zinc/04/96/44/522049644.db2.gz OQZSOLKLGPLVDO-SNVBAGLBSA-N 0 1 295.339 2.272 20 5 CEBDMN Cc1cc(CNCCc2ccccc2[N+](=O)[O-])no1 ZINC000062726519 524756003 /nfs/dbraw/zinc/75/60/03/524756003.db2.gz PMUKNLWMUDYHHC-UHFFFAOYSA-N 0 1 261.281 2.224 20 5 CEBDMN C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)[C@H]2CC2[N+](=O)[O-])C1 ZINC000363415995 525459837 /nfs/dbraw/zinc/45/98/37/525459837.db2.gz AFVBKFCJRBGGPP-PCDDKUFXSA-N 0 1 292.310 2.400 20 5 CEBDMN C[C@@H]1C[C@H](c2cccs2)CN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000370996247 525471446 /nfs/dbraw/zinc/47/14/46/525471446.db2.gz CSYPVNKUXJXJIO-LMLFDSFASA-N 0 1 280.349 2.118 20 5 CEBDMN Cc1[nH]ncc1CCCNC(=O)c1ccc([N+](=O)[O-])s1 ZINC000050183400 525496509 /nfs/dbraw/zinc/49/65/09/525496509.db2.gz JMFYXRRJIJRURV-UHFFFAOYSA-N 0 1 294.336 2.050 20 5 CEBDMN CC[N@@H+](CCC(=O)[O-])Cc1ccc([N+](=O)[O-])cc1F ZINC000311385185 601304469 /nfs/dbraw/zinc/30/44/69/601304469.db2.gz BATWEMLMRIMGNB-UHFFFAOYSA-N 0 1 270.260 2.031 20 5 CEBDMN C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@](F)(C(=O)[O-])C1 ZINC000827949731 601442536 /nfs/dbraw/zinc/44/25/36/601442536.db2.gz OETKTHWAZNMUAH-NOZJJQNGSA-N 0 1 282.271 2.154 20 5 CEBDMN C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@](F)(C(=O)[O-])C1 ZINC000827949731 601442537 /nfs/dbraw/zinc/44/25/37/601442537.db2.gz OETKTHWAZNMUAH-NOZJJQNGSA-N 0 1 282.271 2.154 20 5 CEBDMN C[C@@H]1C[C@H](C(=O)[O-])CC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000235360735 625342716 /nfs/dbraw/zinc/34/27/16/625342716.db2.gz ZDOWSJJIZCFBCZ-ZYHUDNBSSA-N 0 1 278.308 2.280 20 5 CEBDMN O=C(OCCc1cccs1)c1ccc([N+](=O)[O-])[nH]1 ZINC000743478523 624775997 /nfs/dbraw/zinc/77/59/97/624775997.db2.gz AHTUCTMHOVTGJZ-UHFFFAOYSA-N 0 1 266.278 2.384 20 5 CEBDMN CN1CC[C@H]1CNC(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000931298001 628506280 /nfs/dbraw/zinc/50/62/80/628506280.db2.gz TYABXGVTVTZMDK-QMMMGPOBSA-N 0 1 298.730 2.074 20 5 CEBDMN C[C@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])c1cccc(F)c1 ZINC000840670959 629297246 /nfs/dbraw/zinc/29/72/46/629297246.db2.gz NQYQOJZAKWUTPK-WHGOUJPWSA-N 0 1 253.229 2.095 20 5 CEBDMN Cc1ccnc(N)c1CNCc1ccc(C)c([N+](=O)[O-])c1 ZINC000895457961 630199830 /nfs/dbraw/zinc/19/98/30/630199830.db2.gz KEGQLTLZKAKTCX-UHFFFAOYSA-N 0 1 286.335 2.479 20 5 CEBDMN CC(=O)c1cc(N[C@@H]2CC[N@@H+](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000895735955 630325882 /nfs/dbraw/zinc/32/58/82/630325882.db2.gz JBMIOACSASAZOV-NOZJJQNGSA-N 0 1 277.324 2.302 20 5 CEBDMN CC(=O)c1cc(N[C@@H]2CCN(C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000895735955 630325884 /nfs/dbraw/zinc/32/58/84/630325884.db2.gz JBMIOACSASAZOV-NOZJJQNGSA-N 0 1 277.324 2.302 20 5 CEBDMN CN1CC[C@@H]1CNc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000895771485 630340002 /nfs/dbraw/zinc/34/00/02/630340002.db2.gz LWCFGLROFPPAAI-SECBINFHSA-N 0 1 278.337 2.321 20 5 CEBDMN O=C(N[C@@H]1CCCC[C@H]1c1ccccc1)[C@@H]1CC1[N+](=O)[O-] ZINC000840285085 632654449 /nfs/dbraw/zinc/65/44/49/632654449.db2.gz DBYNJKOYKIVMKZ-GBJTYRQASA-N 0 1 288.347 2.494 20 5 CEBDMN CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])[C@@H]1CCCC[C@H]1C ZINC000840311611 632784915 /nfs/dbraw/zinc/78/49/15/632784915.db2.gz FICCCSCIPWDUIE-DDHJBXDOSA-N 0 1 254.330 2.079 20 5 CEBDMN C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1CNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000899405914 632835651 /nfs/dbraw/zinc/83/56/51/632835651.db2.gz QXNLFVDEYWYLLE-PGOKHVGTSA-N 0 1 290.319 2.322 20 5 CEBDMN CC[C@@H](C)[C@H](C)N(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CC1 ZINC000840326904 632916948 /nfs/dbraw/zinc/91/69/48/632916948.db2.gz MFORQFKPPOFLMR-RBLKWDMZSA-N 0 1 254.330 2.077 20 5 CEBDMN CC[C@H](C)[C@H](C)N(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CC1 ZINC000840326900 632917097 /nfs/dbraw/zinc/91/70/97/632917097.db2.gz MFORQFKPPOFLMR-GAIPPQHRSA-N 0 1 254.330 2.077 20 5 CEBDMN O=C(NC1(C2CC2)CCC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000899823836 633024985 /nfs/dbraw/zinc/02/49/85/633024985.db2.gz MCDLVOIRKBCGOW-UHFFFAOYSA-N 0 1 276.292 2.363 20 5 CEBDMN CC(C)(C)Oc1ccccc1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000840355129 633890455 /nfs/dbraw/zinc/89/04/55/633890455.db2.gz WWIBHXYHOGNPRI-MWLCHTKSSA-N 0 1 278.308 2.468 20 5 CEBDMN C[C@H](CN[C@@H](C)c1cn(C)nn1)c1ccccc1[N+](=O)[O-] ZINC000903245419 635026021 /nfs/dbraw/zinc/02/60/21/635026021.db2.gz LYPRPNUBQSQHAE-MNOVXSKESA-N 0 1 289.339 2.178 20 5 CEBDMN O=[N+]([O-])CCNCc1ccc(OCc2ccccn2)cc1 ZINC000905054651 635790911 /nfs/dbraw/zinc/79/09/11/635790911.db2.gz KGXKDCBDFDGQGC-UHFFFAOYSA-N 0 1 287.319 2.027 20 5 CEBDMN CN(Cc1cn(-c2cccc([N+](=O)[O-])c2)nn1)C(C)(C)C ZINC000905058177 635805921 /nfs/dbraw/zinc/80/59/21/635805921.db2.gz JHOSGGRHCMSRAX-UHFFFAOYSA-N 0 1 289.339 2.406 20 5 CEBDMN O=C(OCC1CC(F)(F)C1)c1ccc([N+](=O)[O-])[nH]1 ZINC000835491680 638278182 /nfs/dbraw/zinc/27/81/82/638278182.db2.gz DXKXLBLBMJFGTI-UHFFFAOYSA-N 0 1 260.196 2.125 20 5 CEBDMN CO[C@@H]1C[C@@H](OC(=O)c2ccc([N+](=O)[O-])[nH]2)C12CCC2 ZINC000835884453 638443740 /nfs/dbraw/zinc/44/37/40/638443740.db2.gz OKBNBMGIDJZYRX-NXEZZACHSA-N 0 1 280.280 2.037 20 5 CEBDMN CCOCCCC(=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837429176 639225344 /nfs/dbraw/zinc/22/53/44/639225344.db2.gz AGLRGBDOLLVZPE-UHFFFAOYSA-N 0 1 283.280 2.160 20 5 CEBDMN C/C=C(/C)C(=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837564418 639284866 /nfs/dbraw/zinc/28/48/66/639284866.db2.gz NABIFRMWZUXTGP-BAQGIRSFSA-N 0 1 251.238 2.310 20 5 CEBDMN CC[C@@H]1CC[C@@H](C(=O)OCc2cc(O)ccc2[N+](=O)[O-])O1 ZINC000837574513 639288655 /nfs/dbraw/zinc/28/86/55/639288655.db2.gz QPHBXDOHOWNLNV-YPMHNXCESA-N 0 1 295.291 2.301 20 5 CEBDMN CCN(Cn1ncc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000044558703 639342018 /nfs/dbraw/zinc/34/20/18/639342018.db2.gz BWKRZOOIYNBMDT-UHFFFAOYSA-N 0 1 260.297 2.386 20 5 CEBDMN CCOCC1(C(=O)OCc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000837705002 639350563 /nfs/dbraw/zinc/35/05/63/639350563.db2.gz TUKPDQWLUCHFTA-UHFFFAOYSA-N 0 1 295.291 2.160 20 5 CEBDMN O=[N+]([O-])c1ccnn1CN1CCC[C@H]1C1CCC1 ZINC000102885614 639357618 /nfs/dbraw/zinc/35/76/18/639357618.db2.gz KQWCXVPZYKFGJK-NSHDSACASA-N 0 1 250.302 2.013 20 5 CEBDMN COc1cc(-c2nc([C@H](N)C(C)C)no2)ccc1[N+](=O)[O-] ZINC000164977492 639408964 /nfs/dbraw/zinc/40/89/64/639408964.db2.gz NWRGJXFANPTDHN-LLVKDONJSA-N 0 1 292.295 2.309 20 5 CEBDMN CC(C)O[C@@H](COC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccccc1 ZINC000840673836 639521721 /nfs/dbraw/zinc/52/17/21/639521721.db2.gz APPYTKIBYYBICN-MCIONIFRSA-N 0 1 293.319 2.361 20 5 CEBDMN Cc1[nH]ncc1CNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000168608829 639573966 /nfs/dbraw/zinc/57/39/66/639573966.db2.gz UPEJTCLSLVONQD-UHFFFAOYSA-N 0 1 294.698 2.210 20 5 CEBDMN CC(C)COc1ccc(OC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC000841195992 639704117 /nfs/dbraw/zinc/70/41/17/639704117.db2.gz DLIRQEGBWZDNAO-CHWSQXEVSA-N 0 1 279.292 2.292 20 5 CEBDMN Cc1cccc2[nH]c(COC(=O)[C@@H]3CC3[N+](=O)[O-])cc21 ZINC000842317000 640011901 /nfs/dbraw/zinc/01/19/01/640011901.db2.gz CUMLXWHICUFSGY-DGCLKSJQSA-N 0 1 274.276 2.185 20 5 CEBDMN COc1ccccc1OC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000916852576 640826735 /nfs/dbraw/zinc/82/67/35/640826735.db2.gz GFNNEBZEXWOUMB-UHFFFAOYSA-N 0 1 262.221 2.151 20 5 CEBDMN Cc1ccc(-c2noc(CC(F)(F)CN)n2)cc1[N+](=O)[O-] ZINC000844911407 640863958 /nfs/dbraw/zinc/86/39/58/640863958.db2.gz CYKJNOPGDWJQRB-UHFFFAOYSA-N 0 1 298.249 2.090 20 5 CEBDMN O=[N+]([O-])c1ccc(O)cc1CN1CCC[C@@H](F)C1 ZINC000846119411 641192746 /nfs/dbraw/zinc/19/27/46/641192746.db2.gz DWYJNHYKCGECDV-SNVBAGLBSA-N 0 1 254.261 2.234 20 5 CEBDMN CC1(C)OCC(N[C@H]2CCc3c2cccc3[N+](=O)[O-])CO1 ZINC000848545760 642045809 /nfs/dbraw/zinc/04/58/09/642045809.db2.gz JMYNACWBLGISGD-ZDUSSCGKSA-N 0 1 292.335 2.323 20 5 CEBDMN CCc1nc(CNCCc2ccc([N+](=O)[O-])cc2)co1 ZINC000877570633 650794363 /nfs/dbraw/zinc/79/43/63/650794363.db2.gz LFJSGKBSTMCAAY-UHFFFAOYSA-N 0 1 275.308 2.478 20 5 CEBDMN C[C@@]1(COC(=O)c2ccc([N+](=O)[O-])[nH]2)CC1(F)F ZINC000851262287 642962943 /nfs/dbraw/zinc/96/29/43/642962943.db2.gz LJHLMJUYVKREEJ-VIFPVBQESA-N 0 1 260.196 2.125 20 5 CEBDMN CC(C)(NC[C@@H]1CCC(=O)O1)c1ccccc1[N+](=O)[O-] ZINC000852078444 643290316 /nfs/dbraw/zinc/29/03/16/643290316.db2.gz PYZKJDIUYMCOSS-JTQLQIEISA-N 0 1 278.308 2.125 20 5 CEBDMN C[C@@]12COC[C@H]1CN(Cc1ccc([N+](=O)[O-])c(F)c1)C2 ZINC000852534737 643461401 /nfs/dbraw/zinc/46/14/01/643461401.db2.gz OUZQUGDUBKTASE-BXUZGUMPSA-N 0 1 280.299 2.202 20 5 CEBDMN CC(=O)c1ccc([N+](=O)[O-])cc1N[C@H]1CCN(C2CC2)C1 ZINC000853231877 643717192 /nfs/dbraw/zinc/71/71/92/643717192.db2.gz NUCSBBGPZYUPRQ-NSHDSACASA-N 0 1 289.335 2.446 20 5 CEBDMN O=[N+]([O-])c1ccc([O-])cc1C[N@H+]1CC[C@H]2CSC[C@H]2C1 ZINC000877742022 650885463 /nfs/dbraw/zinc/88/54/63/650885463.db2.gz XGSAPHVHHLREIX-CMPLNLGQSA-N 0 1 294.376 2.485 20 5 CEBDMN Cc1cc(CC(=O)OCc2cc(F)ccc2[N+](=O)[O-])n[nH]1 ZINC000756256527 644621046 /nfs/dbraw/zinc/62/10/46/644621046.db2.gz MCYGWJJXAWJJJR-UHFFFAOYSA-N 0 1 293.254 2.051 20 5 CEBDMN CC1(C)C[C@]1(NC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccccc1 ZINC000856458290 644674326 /nfs/dbraw/zinc/67/43/26/644674326.db2.gz QANZTIJYIHKQEL-JMSVASOKSA-N 0 1 274.320 2.093 20 5 CEBDMN CCC[C@@H]1[C@H](C)CCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839692857 644774980 /nfs/dbraw/zinc/77/49/80/644774980.db2.gz YBVWBNFASNUGDF-DDHJBXDOSA-N 0 1 254.330 2.079 20 5 CEBDMN Cc1cccc([C@H](C)NC(=O)[C@@H]2CC2[N+](=O)[O-])c1C ZINC000839683525 644784575 /nfs/dbraw/zinc/78/45/75/644784575.db2.gz OVXPLOFNKVKOFX-CYZMBNFOSA-N 0 1 262.309 2.146 20 5 CEBDMN O=C(NCc1ccc(C2CCC2)cc1)[C@@H]1CC1[N+](=O)[O-] ZINC000839736282 644786165 /nfs/dbraw/zinc/78/61/65/644786165.db2.gz LXSRWZIORFXROI-ZIAGYGMSSA-N 0 1 274.320 2.236 20 5 CEBDMN Cc1oc2ccccc2c1CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839723939 644792646 /nfs/dbraw/zinc/79/26/46/644792646.db2.gz FMIAKHFPYQREPT-CHWSQXEVSA-N 0 1 288.303 2.065 20 5 CEBDMN CC(F)(F)c1ccc(CNC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC000839776955 644813551 /nfs/dbraw/zinc/81/35/51/644813551.db2.gz DWPVKIGBQXTSHP-GHMZBOCLSA-N 0 1 284.262 2.080 20 5 CEBDMN O=[N+]([O-])c1ccc(F)cc1CSc1cn[nH]n1 ZINC000757746799 644843672 /nfs/dbraw/zinc/84/36/72/644843672.db2.gz YBGDXLRGGJQDTF-UHFFFAOYSA-N 0 1 254.246 2.144 20 5 CEBDMN CCN(CCC1CC1)Cn1cc([N+](=O)[O-])c(C)n1 ZINC000760538039 645168730 /nfs/dbraw/zinc/16/87/30/645168730.db2.gz JFANOQOKAFLALC-UHFFFAOYSA-N 0 1 252.318 2.179 20 5 CEBDMN CC[C@H](N[C@@H](C)C(=O)N(C)OC)c1cccc([N+](=O)[O-])c1 ZINC000858578818 645208539 /nfs/dbraw/zinc/20/85/39/645208539.db2.gz MITXJCNHLIGHQS-GWCFXTLKSA-N 0 1 295.339 2.044 20 5 CEBDMN CCc1nc([C@@H](C)NCc2cccc([N+](=O)[O-])c2C)n[nH]1 ZINC000763139471 645509330 /nfs/dbraw/zinc/50/93/30/645509330.db2.gz HLTXMWYNSIJXCP-SNVBAGLBSA-N 0 1 289.339 2.435 20 5 CEBDMN O=[N+]([O-])c1ccc(F)cc1CN1CCN(CCCF)CC1 ZINC000860010390 645673941 /nfs/dbraw/zinc/67/39/41/645673941.db2.gz WCWFGPCOMGLRBP-UHFFFAOYSA-N 0 1 299.321 2.211 20 5 CEBDMN CCN(CC)C(=O)CN[C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000765333882 645757878 /nfs/dbraw/zinc/75/78/78/645757878.db2.gz MIWUSMGAZOFNMN-LBPRGKRZSA-N 0 1 293.367 2.422 20 5 CEBDMN O=C(OCc1cc(C2CC2)no1)c1ccc([N+](=O)[O-])[nH]1 ZINC000860977346 645968041 /nfs/dbraw/zinc/96/80/41/645968041.db2.gz NFYRUWFQYNFAIX-UHFFFAOYSA-N 0 1 277.236 2.145 20 5 CEBDMN O=C(N[C@H](CCc1ccccc1)C(F)F)[C@@H]1CC1[N+](=O)[O-] ZINC000862807141 646576673 /nfs/dbraw/zinc/57/66/73/646576673.db2.gz HKTSCKJPYYZGSR-IJLUTSLNSA-N 0 1 298.289 2.034 20 5 CEBDMN CC(C)[C@H]1C[C@H]1COC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000774846800 646901860 /nfs/dbraw/zinc/90/18/60/646901860.db2.gz DZDDAFZALXECSF-DTWKUNHWSA-N 0 1 252.270 2.372 20 5 CEBDMN C[C@@](O)(CNCc1ccc([N+](=O)[O-])cc1F)c1ccco1 ZINC000778093232 647199293 /nfs/dbraw/zinc/19/92/93/647199293.db2.gz VGHDBBVWPNMMFO-CQSZACIVSA-N 0 1 294.282 2.324 20 5 CEBDMN CC[C@H](C)[C@@H](C)NC(=O)[C@@](C)(N)c1cccc([N+](=O)[O-])c1 ZINC000867942748 647996058 /nfs/dbraw/zinc/99/60/58/647996058.db2.gz VXTJPPRPXVGEET-RWSFTLGLSA-N 0 1 293.367 2.320 20 5 CEBDMN CC(C)(F)CCNC(=O)[C@](C)(N)c1cccc([N+](=O)[O-])c1 ZINC000867983740 648010186 /nfs/dbraw/zinc/01/01/86/648010186.db2.gz DOOGTCKOCVCJNB-CQSZACIVSA-N 0 1 297.330 2.023 20 5 CEBDMN CCOc1ccc([C@H]2CCCN2CC[N+](=O)[O-])cc1 ZINC000791054854 648477116 /nfs/dbraw/zinc/47/71/16/648477116.db2.gz ZYKMUYUERGJXAY-CQSZACIVSA-N 0 1 264.325 2.499 20 5 CEBDMN C[C@@H](N[C@@H](C)CCO)c1c(F)cccc1[N+](=O)[O-] ZINC000872037191 649249139 /nfs/dbraw/zinc/24/91/39/649249139.db2.gz BVCQEMSFUOWGRD-DTWKUNHWSA-N 0 1 256.277 2.155 20 5 CEBDMN CCO[C@H]1CCC[C@H](OC(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000873602518 649708078 /nfs/dbraw/zinc/70/80/78/649708078.db2.gz ZUCINCLFDVNGHY-UWVGGRQHSA-N 0 1 282.296 2.427 20 5 CEBDMN CC(=O)c1c(C)cc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1C ZINC000882179963 651991610 /nfs/dbraw/zinc/99/16/10/651991610.db2.gz YYTGYVJNVIHJGR-VXGBXAGGSA-N 0 1 276.292 2.110 20 5 CEBDMN CC(C)C[C@@H]1CCCN1Cn1cc([N+](=O)[O-])cn1 ZINC000129593111 652035495 /nfs/dbraw/zinc/03/54/95/652035495.db2.gz QOYDNFKTNHMORV-NSHDSACASA-N 0 1 252.318 2.259 20 5 CEBDMN CCn1c(C)nc([N+](=O)[O-])c1N1CCN(C(C)(C)C)CC1 ZINC001117481934 814925650 /nfs/dbraw/zinc/92/56/50/814925650.db2.gz LFBKEMWSKZAUPW-UHFFFAOYSA-N 0 1 295.387 2.040 20 5 CEBDMN O=[N+]([O-])c1cc(F)ccc1CN1CC[C@@](O)(C2CC2)C1 ZINC001118558362 815025112 /nfs/dbraw/zinc/02/51/12/815025112.db2.gz OUSLWAHJSMQCQM-AWEZNQCLSA-N 0 1 280.299 2.081 20 5 CEBDMN CCN1CC[C@H](Oc2c(F)c(F)ccc2[N+](=O)[O-])C1 ZINC001225960084 805391768 /nfs/dbraw/zinc/39/17/68/805391768.db2.gz OWBJXNKZCUKUNU-QMMMGPOBSA-N 0 1 272.251 2.346 20 5 CEBDMN COc1ccc(C[N@@H+](C)C(C)(C)CC(=O)[O-])cc1[N+](=O)[O-] ZINC001119602897 815136302 /nfs/dbraw/zinc/13/63/02/815136302.db2.gz YSRNLINJGCXHEO-UHFFFAOYSA-N 0 1 296.323 2.289 20 5 CEBDMN O=C(Nc1ccc(Cl)c2ccncc12)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001128360418 809031592 /nfs/dbraw/zinc/03/15/92/809031592.db2.gz CAXSYRNHUJXHGA-PRHODGIISA-N 0 1 291.694 2.492 20 5 CEBDMN COc1ccc(C[C@@H](C)N(C)CCF)c([N+](=O)[O-])c1 ZINC001170356068 812391307 /nfs/dbraw/zinc/39/13/07/812391307.db2.gz VWKNBUILQOSZNH-SNVBAGLBSA-N 0 1 270.304 2.436 20 5 CEBDMN CC(C)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001133513476 813096932 /nfs/dbraw/zinc/09/69/32/813096932.db2.gz ZVWSEBLBOQDMOK-MGPQQGTHSA-N 0 1 276.336 2.035 20 5 CEBDMN Cc1nnc(NC(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)[nH]1 ZINC001134128495 813216111 /nfs/dbraw/zinc/21/61/11/813216111.db2.gz QPIDSWMQHUIMJT-UHFFFAOYSA-N 0 1 295.686 2.235 20 5 CEBDMN Cc1n[nH]c(NC(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)n1 ZINC001134128495 813216113 /nfs/dbraw/zinc/21/61/13/813216113.db2.gz QPIDSWMQHUIMJT-UHFFFAOYSA-N 0 1 295.686 2.235 20 5 CEBDMN C[C@H](NCc1cnn(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000037775658 361935904 /nfs/dbraw/zinc/93/59/04/361935904.db2.gz QNUHSDKVTBFYDH-JTQLQIEISA-N 0 1 260.297 2.179 20 5 CEBDMN Cc1ccc([C@H](C)NCc2cnn(C)c2)cc1[N+](=O)[O-] ZINC000041158974 362023214 /nfs/dbraw/zinc/02/32/14/362023214.db2.gz ZGVMTYSSBRERNC-NSHDSACASA-N 0 1 274.324 2.488 20 5 CEBDMN CN1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000048752171 343532348 /nfs/dbraw/zinc/53/23/48/343532348.db2.gz DXHNYQJOHSKCGE-VIFPVBQESA-N 0 1 297.742 2.072 20 5 CEBDMN CCC1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000053377243 343575409 /nfs/dbraw/zinc/57/54/09/343575409.db2.gz HWTYUHHVVJNETH-UHFFFAOYSA-N 0 1 291.351 2.316 20 5 CEBDMN Cc1[nH]ncc1CN(C)C(=O)c1ccc([N+](=O)[O-])cc1C ZINC000602175020 346988457 /nfs/dbraw/zinc/98/84/57/346988457.db2.gz ZBJVFECRLVRZJF-UHFFFAOYSA-N 0 1 288.307 2.207 20 5 CEBDMN Cc1c(CN2CCC(CO)CC2)cccc1[N+](=O)[O-] ZINC000048335230 362256163 /nfs/dbraw/zinc/25/61/63/362256163.db2.gz IDWUDZDWJVHCSO-UHFFFAOYSA-N 0 1 264.325 2.108 20 5 CEBDMN C[C@H](NCCOc1ccc([N+](=O)[O-])cc1)c1cnccn1 ZINC000089580856 344124923 /nfs/dbraw/zinc/12/49/23/344124923.db2.gz KUCLXYQVNAMSRY-NSHDSACASA-N 0 1 288.307 2.114 20 5 CEBDMN O=[N+]([O-])c1cccc(-c2nc([C@@H]3CCCN3)no2)c1 ZINC000228560328 344560971 /nfs/dbraw/zinc/56/09/71/344560971.db2.gz AYIFWXJYONQRBF-JTQLQIEISA-N 0 1 260.253 2.069 20 5 CEBDMN C[C@H](c1ccccc1[N+](=O)[O-])[N@H+](C)C[C@H](C)C(=O)[O-] ZINC000251104253 344635507 /nfs/dbraw/zinc/63/55/07/344635507.db2.gz NSBWDRMCBHHYIA-VHSXEESVSA-N 0 1 266.297 2.308 20 5 CEBDMN CCC[C@H](C)NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000311929397 344736433 /nfs/dbraw/zinc/73/64/33/344736433.db2.gz VSUWHFCCKWIKKU-QMMMGPOBSA-N 0 1 290.316 2.201 20 5 CEBDMN O=[N+]([O-])c1ccc(CN2CC[C@@H](CCCO)C2)c(F)c1 ZINC000449791714 282369831 /nfs/dbraw/zinc/36/98/31/282369831.db2.gz PZHWRTRKRHXLBW-LLVKDONJSA-N 0 1 282.315 2.328 20 5 CEBDMN COc1cc([N+](=O)[O-])ccc1CN1CCCCC[C@@H]1CO ZINC000594016802 345567304 /nfs/dbraw/zinc/56/73/04/345567304.db2.gz IOUGMAJLYDSNGZ-CQSZACIVSA-N 0 1 294.351 2.340 20 5 CEBDMN Cc1cc(CN[C@@H]2CCc3c2cccc3[N+](=O)[O-])[nH]n1 ZINC000594495231 345638387 /nfs/dbraw/zinc/63/83/87/345638387.db2.gz OIPGCEBEDYZFTM-CYBMUJFWSA-N 0 1 272.308 2.403 20 5 CEBDMN Cc1cc(CN[C@@H]2CCc3c2cccc3[N+](=O)[O-])n[nH]1 ZINC000594495231 345638389 /nfs/dbraw/zinc/63/83/89/345638389.db2.gz OIPGCEBEDYZFTM-CYBMUJFWSA-N 0 1 272.308 2.403 20 5 CEBDMN Cc1noc(CN(C[C@@H](C)O)C2CCCCC2)c1[N+](=O)[O-] ZINC000595305263 345758290 /nfs/dbraw/zinc/75/82/90/345758290.db2.gz ZQHDUYIXODVZCX-SNVBAGLBSA-N 0 1 297.355 2.407 20 5 CEBDMN COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@H]1CO[C@H](C)C1 ZINC000595046720 345734998 /nfs/dbraw/zinc/73/49/98/345734998.db2.gz QQQJDZZGNLGFCC-OUAUKWLOSA-N 0 1 280.324 2.431 20 5 CEBDMN CN(Cc1ccc(F)cc1[N+](=O)[O-])C[C@H]1CCOC1 ZINC000595343981 345765669 /nfs/dbraw/zinc/76/56/69/345765669.db2.gz QXYHLIWQRNLESX-SNVBAGLBSA-N 0 1 268.288 2.202 20 5 CEBDMN Cc1noc(CN2CC[C@@H](c3ccncc3)C2)c1[N+](=O)[O-] ZINC000595487015 345793745 /nfs/dbraw/zinc/79/37/45/345793745.db2.gz BUPGHZJPWGZSMR-GFCCVEGCSA-N 0 1 288.307 2.276 20 5 CEBDMN C[C@@H]1CN(Cc2ccc(F)cc2[N+](=O)[O-])C[C@H](C)N1C ZINC000595504542 345797518 /nfs/dbraw/zinc/79/75/18/345797518.db2.gz FQPQGOPSRQMJJM-PHIMTYICSA-N 0 1 281.331 2.258 20 5 CEBDMN CO[C@@H]1[C@@H](C)[C@H](NCc2onc(C)c2[N+](=O)[O-])C1(C)C ZINC000595512161 345801001 /nfs/dbraw/zinc/80/10/01/345801001.db2.gz OAZJRHKEIFADNZ-CQFDHEJISA-N 0 1 283.328 2.040 20 5 CEBDMN CO[C@]1(CO)CCCN([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000595664558 345842178 /nfs/dbraw/zinc/84/21/78/345842178.db2.gz ZXLGOGXJHYOSIU-SWLSCSKDSA-N 0 1 294.351 2.129 20 5 CEBDMN COc1ccc([N+](=O)[O-])cc1CN1C[C@@H](C)[C@H](O)[C@@H](C)C1 ZINC000595752317 345866322 /nfs/dbraw/zinc/86/63/22/345866322.db2.gz XFHVFQIBCPVFOQ-HBYGRHMLSA-N 0 1 294.351 2.052 20 5 CEBDMN O=[N+]([O-])c1cc(F)ccc1CN[C@H]1C[C@@H](O)C12CCC2 ZINC000595780829 345875422 /nfs/dbraw/zinc/87/54/22/345875422.db2.gz IUEHAZBONKZKMO-QWHCGFSZSA-N 0 1 280.299 2.127 20 5 CEBDMN COc1cc([N+](=O)[O-])ccc1CN1C[C@H](C)[C@@](C)(CO)C1 ZINC000595860127 345900335 /nfs/dbraw/zinc/90/03/35/345900335.db2.gz HILKIHIZHFFUNN-XHDPSFHLSA-N 0 1 294.351 2.054 20 5 CEBDMN COc1cc(CN2C[C@@H](C)[C@](C)(CO)C2)ccc1[N+](=O)[O-] ZINC000595873710 345902990 /nfs/dbraw/zinc/90/29/90/345902990.db2.gz MPLAIGSQGVNJEO-ABAIWWIYSA-N 0 1 294.351 2.054 20 5 CEBDMN Cc1cc(N2CC[C@H](N3CC=CC3)C2)c([N+](=O)[O-])s1 ZINC000596143170 345950486 /nfs/dbraw/zinc/95/04/86/345950486.db2.gz ZCQGUOCDNBJIMI-NSHDSACASA-N 0 1 279.365 2.415 20 5 CEBDMN CCSC1(CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1 ZINC000598330821 346328426 /nfs/dbraw/zinc/32/84/26/346328426.db2.gz UFTBUNPZALEMQI-UHFFFAOYSA-N 0 1 296.348 2.316 20 5 CEBDMN CCc1[nH]nc(C(=O)N2CCC[C@H](CCF)C2)c1[N+](=O)[O-] ZINC000598220788 346309376 /nfs/dbraw/zinc/30/93/76/346309376.db2.gz NWSKHPASUIBKPV-SECBINFHSA-N 0 1 298.318 2.092 20 5 CEBDMN CC(C)(CNC(=O)c1n[nH]cc1[N+](=O)[O-])CC(F)(F)F ZINC000598582207 346377801 /nfs/dbraw/zinc/37/78/01/346377801.db2.gz SZVUSIGKTAIYBX-UHFFFAOYSA-N 0 1 294.233 2.026 20 5 CEBDMN CN(CC1=CCSC1)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000598516294 346369645 /nfs/dbraw/zinc/36/96/45/346369645.db2.gz RMHLZOOVNWTQNV-UHFFFAOYSA-N 0 1 294.332 2.046 20 5 CEBDMN Cc1nccnc1CN(C)CCc1cccc([N+](=O)[O-])c1 ZINC000598672198 346397762 /nfs/dbraw/zinc/39/77/62/346397762.db2.gz MPGLKXSXUFLZOH-UHFFFAOYSA-N 0 1 286.335 2.368 20 5 CEBDMN C[C@@H]1CN(CCn2cc([N+](=O)[O-])cn2)C[C@@H](C)C1(F)F ZINC000599511839 346531136 /nfs/dbraw/zinc/53/11/36/346531136.db2.gz BWGNFUMPILHUKT-NXEZZACHSA-N 0 1 288.298 2.014 20 5 CEBDMN Cc1nc([C@H]2CCN(c3ccsc3[N+](=O)[O-])C2)n[nH]1 ZINC000601175534 346778614 /nfs/dbraw/zinc/77/86/14/346778614.db2.gz IKPFMCGDNBACES-QMMMGPOBSA-N 0 1 279.325 2.077 20 5 CEBDMN Cc1nnc([C@H]2CCN(c3ccsc3[N+](=O)[O-])C2)[nH]1 ZINC000601175534 346778615 /nfs/dbraw/zinc/77/86/15/346778615.db2.gz IKPFMCGDNBACES-QMMMGPOBSA-N 0 1 279.325 2.077 20 5 CEBDMN C[C@@H]1CCC[C@H](C)N1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602776040 347193178 /nfs/dbraw/zinc/19/31/78/347193178.db2.gz OHNVRQYKDMTMFL-AOOOYVTPSA-N 0 1 252.318 2.091 20 5 CEBDMN O=[N+]([O-])c1ccc(N2CC[C@H](N3CC=CC3)C2)s1 ZINC000610281812 347669510 /nfs/dbraw/zinc/66/95/10/347669510.db2.gz JUZHVDZTGCPYHG-JTQLQIEISA-N 0 1 265.338 2.107 20 5 CEBDMN O=[N+]([O-])c1ccsc1N[C@H]1CCN(C2CC2)C1 ZINC000611412752 347776236 /nfs/dbraw/zinc/77/62/36/347776236.db2.gz YRVAOUZJIOFWHA-QMMMGPOBSA-N 0 1 253.327 2.305 20 5 CEBDMN COC[C@@H](NCc1c(F)cccc1[N+](=O)[O-])C(C)C ZINC000612483458 347891902 /nfs/dbraw/zinc/89/19/02/347891902.db2.gz DUTGHEXOSVTNKD-GFCCVEGCSA-N 0 1 270.304 2.495 20 5 CEBDMN C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2F)C[C@@H](C)N1C ZINC000336893482 365937095 /nfs/dbraw/zinc/93/70/95/365937095.db2.gz UQNOBVADRPXSGP-GHMZBOCLSA-N 0 1 281.331 2.258 20 5 CEBDMN O=[N+]([O-])c1ccc2oc(CN(CCO)C3CCC3)nc2c1 ZINC000615237789 348303513 /nfs/dbraw/zinc/30/35/13/348303513.db2.gz MJTSOIAURQDQTP-UHFFFAOYSA-N 0 1 291.307 2.083 20 5 CEBDMN Cc1cc([N+](=O)[O-])ccc1CN[C@@H](C)c1cn[nH]c1 ZINC000273437207 192149875 /nfs/dbraw/zinc/14/98/75/192149875.db2.gz VTZORMMKIZCWKW-JTQLQIEISA-N 0 1 260.297 2.477 20 5 CEBDMN CCc1[nH]nc(C(=O)N2C3CCCC2CCC3)c1[N+](=O)[O-] ZINC000618220139 348901910 /nfs/dbraw/zinc/90/19/10/348901910.db2.gz FAVFHTGPWSOOIE-UHFFFAOYSA-N 0 1 292.339 2.428 20 5 CEBDMN CC(C)(C)[C@@H](CO)NCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000618305267 348923530 /nfs/dbraw/zinc/92/35/30/348923530.db2.gz XQHPDNPQNXWYAX-GFCCVEGCSA-N 0 1 293.323 2.233 20 5 CEBDMN CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1cnoc1 ZINC000619283684 349150098 /nfs/dbraw/zinc/15/00/98/349150098.db2.gz WIOMNYPEVDTUSI-UHFFFAOYSA-N 0 1 277.236 2.234 20 5 CEBDMN COC[C@@H]1CCCN1Cc1ccc([N+](=O)[O-])cc1OC ZINC000619531685 349194593 /nfs/dbraw/zinc/19/45/93/349194593.db2.gz VVLIKZBAKIUWGU-ZDUSSCGKSA-N 0 1 280.324 2.214 20 5 CEBDMN C[C@@H](NCCn1cc([N+](=O)[O-])cn1)c1ccc(F)cc1F ZINC000130999336 366012927 /nfs/dbraw/zinc/01/29/27/366012927.db2.gz XXOIBEHZCNRSNK-SECBINFHSA-N 0 1 296.277 2.420 20 5 CEBDMN Cc1cc(C[C@@H](C)Nc2nccc(C)c2[N+](=O)[O-])[nH]n1 ZINC000133500314 187689060 /nfs/dbraw/zinc/68/90/60/187689060.db2.gz DHEWOOYPYMIZGY-SECBINFHSA-N 0 1 275.312 2.373 20 5 CEBDMN CCCC1(CNC(=O)c2n[nH]cc2[N+](=O)[O-])CCC1 ZINC000154233898 188130989 /nfs/dbraw/zinc/13/09/89/188130989.db2.gz XPQSUOUBZLEJNL-UHFFFAOYSA-N 0 1 266.301 2.018 20 5 CEBDMN CC(C)C(=O)NCCN(C)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000157568379 188324831 /nfs/dbraw/zinc/32/48/31/188324831.db2.gz CMVUPDFJWQVEOP-GFCCVEGCSA-N 0 1 293.367 2.360 20 5 CEBDMN CC(C)(CNC(=O)c1n[nH]cc1[N+](=O)[O-])c1cccs1 ZINC000158515047 188380122 /nfs/dbraw/zinc/38/01/22/188380122.db2.gz PVLWNLTXOZSNDW-UHFFFAOYSA-N 0 1 294.336 2.087 20 5 CEBDMN CCS[C@@H]1CCC[C@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000132206545 366126410 /nfs/dbraw/zinc/12/64/10/366126410.db2.gz RDZCBKLLYROULB-DTWKUNHWSA-N 0 1 298.368 2.112 20 5 CEBDMN Cc1cc(C[C@H](C)Nc2nccc(C)c2[N+](=O)[O-])[nH]n1 ZINC000133500100 366231420 /nfs/dbraw/zinc/23/14/20/366231420.db2.gz DHEWOOYPYMIZGY-VIFPVBQESA-N 0 1 275.312 2.373 20 5 CEBDMN O=C([O-])CCCC[N@@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000570226645 299246987 /nfs/dbraw/zinc/24/69/87/299246987.db2.gz SOBGCMIYWNOJKR-UHFFFAOYSA-N 0 1 294.307 2.044 20 5 CEBDMN O=C([O-])CCCC[N@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000570226645 299246991 /nfs/dbraw/zinc/24/69/91/299246991.db2.gz SOBGCMIYWNOJKR-UHFFFAOYSA-N 0 1 294.307 2.044 20 5 CEBDMN Cc1cc([N+](=O)[O-])ccc1CN1CCCO[C@H](CF)C1 ZINC000414475484 236377183 /nfs/dbraw/zinc/37/71/83/236377183.db2.gz HHCHJQWCVSGHES-CQSZACIVSA-N 0 1 282.315 2.464 20 5 CEBDMN Cc1c(C[N@H+]2CCC[C@@]2(C)C(=O)[O-])cccc1[N+](=O)[O-] ZINC000079487811 363608071 /nfs/dbraw/zinc/60/80/71/363608071.db2.gz XIPUXLNRIGIWBE-AWEZNQCLSA-N 0 1 278.308 2.342 20 5 CEBDMN CC(C)c1nc(CNc2ncc(Cl)cc2[N+](=O)[O-])n[nH]1 ZINC000294934853 199257663 /nfs/dbraw/zinc/25/76/63/199257663.db2.gz KNAWLVJNVJQJIP-UHFFFAOYSA-N 0 1 296.718 2.497 20 5 CEBDMN Cc1cc([N+](=O)[O-])ccc1CN1CC(C(C)(C)O)C1 ZINC000297358078 200161740 /nfs/dbraw/zinc/16/17/40/200161740.db2.gz HFWUWYQFTJXYCI-UHFFFAOYSA-N 0 1 264.325 2.106 20 5 CEBDMN O=[N+]([O-])c1ccc([O-])cc1C[N@H+]1CCC[C@H]2COCC[C@@H]21 ZINC000339010436 366613578 /nfs/dbraw/zinc/61/35/78/366613578.db2.gz BNVMWZMLLXNBIA-FZMZJTMJSA-N 0 1 292.335 2.301 20 5 CEBDMN CC(C)[N@@H+](CCC(=O)[O-])Cc1csc([N+](=O)[O-])c1 ZINC000086748128 363839536 /nfs/dbraw/zinc/83/95/36/363839536.db2.gz CBYLZOFMAIWIPW-UHFFFAOYSA-N 0 1 272.326 2.341 20 5 CEBDMN CN(CCC(F)(F)F)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356412433 370699924 /nfs/dbraw/zinc/69/99/24/370699924.db2.gz CXESAZVWKFHPBI-UHFFFAOYSA-N 0 1 292.213 2.325 20 5 CEBDMN C[C@@H](NCc1cncn1C)c1cccc([N+](=O)[O-])c1 ZINC000112343155 364796292 /nfs/dbraw/zinc/79/62/92/364796292.db2.gz LVAUNHNLUFCKIB-SNVBAGLBSA-N 0 1 260.297 2.179 20 5 CEBDMN COC[C@@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000112989757 364866521 /nfs/dbraw/zinc/86/65/21/364866521.db2.gz SZRJHPMIFBHXFS-GFCCVEGCSA-N 0 1 294.351 2.462 20 5 CEBDMN O=C(NCCCC1CCCCC1)c1n[nH]cc1[N+](=O)[O-] ZINC000160012686 366965573 /nfs/dbraw/zinc/96/55/73/366965573.db2.gz VNHXNRQRXXHDEN-UHFFFAOYSA-N 0 1 280.328 2.408 20 5 CEBDMN C[C@@H](C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)C(=O)[O-] ZINC000583877661 367109968 /nfs/dbraw/zinc/10/99/68/367109968.db2.gz UJMKSGFABYIUNK-JTQLQIEISA-N 0 1 278.308 2.280 20 5 CEBDMN CCO[C@@H]1C[C@H]1N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000584509481 367165353 /nfs/dbraw/zinc/16/53/53/367165353.db2.gz TZPQHFMSCWANAU-OASPWFOLSA-N 0 1 250.298 2.423 20 5 CEBDMN CCc1[nH]nc(C(=O)N2CCCCCCC2)c1[N+](=O)[O-] ZINC000171369478 367529484 /nfs/dbraw/zinc/52/94/84/367529484.db2.gz IDEPSRWGELPMJS-UHFFFAOYSA-N 0 1 280.328 2.287 20 5 CEBDMN Cc1cc(NCCc2ccc3cn[nH]c3c2)ncc1[N+](=O)[O-] ZINC000343082531 367662737 /nfs/dbraw/zinc/66/27/37/367662737.db2.gz WCAJQTPHLQVTCX-UHFFFAOYSA-N 0 1 297.318 2.251 20 5 CEBDMN O=[N+]([O-])c1cnc(NCCN2CCCC2)c(Cl)c1 ZINC000172408293 367736596 /nfs/dbraw/zinc/73/65/96/367736596.db2.gz XFCPIPVWVCIELB-UHFFFAOYSA-N 0 1 270.720 2.151 20 5 CEBDMN C[C@H](NC(=O)CN(C)C1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000173619702 367927143 /nfs/dbraw/zinc/92/71/43/367927143.db2.gz IEPLSZPXMOOZRT-NSHDSACASA-N 0 1 291.351 2.256 20 5 CEBDMN COC(=O)CC1CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC000345304042 368228877 /nfs/dbraw/zinc/22/88/77/368228877.db2.gz OAPNZXBZQTZRFQ-UHFFFAOYSA-N 0 1 292.335 2.370 20 5 CEBDMN C[C@H](c1ccco1)N(C)CCn1ccc([N+](=O)[O-])n1 ZINC000176220087 368213972 /nfs/dbraw/zinc/21/39/72/368213972.db2.gz JNGYZIZCAUKAJO-SNVBAGLBSA-N 0 1 264.285 2.077 20 5 CEBDMN O=[N+]([O-])c1ccn(CC[N@H+]2CCS[C@H]3CCCC[C@@H]32)n1 ZINC000177207276 368262950 /nfs/dbraw/zinc/26/29/50/368262950.db2.gz KTTUIQQLDPOLFH-RYUDHWBXSA-N 0 1 296.396 2.151 20 5 CEBDMN C/C=C\C[C@H](CO)NCc1ccc([N+](=O)[O-])cc1F ZINC000349791213 369401890 /nfs/dbraw/zinc/40/18/90/369401890.db2.gz OSRVRCGUFBFGGN-OTDNITJGSA-N 0 1 268.288 2.151 20 5 CEBDMN C[C@]1(CO)CCC[C@@H]1NCc1c(F)cccc1[N+](=O)[O-] ZINC000351495040 369636803 /nfs/dbraw/zinc/63/68/03/369636803.db2.gz PNGKDQCMDGWOFU-UONOGXRCSA-N 0 1 282.315 2.375 20 5 CEBDMN C[C@H]1CN(C)CCN1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000352028271 369663033 /nfs/dbraw/zinc/66/30/33/369663033.db2.gz PRHDMWFDYDNTGQ-VIFPVBQESA-N 0 1 285.294 2.009 20 5 CEBDMN CCOCCN(CC)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000352404259 369714730 /nfs/dbraw/zinc/71/47/30/369714730.db2.gz GADZDZCTXCBMMR-UHFFFAOYSA-N 0 1 282.340 2.462 20 5 CEBDMN C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+](CCO)CC1CC1 ZINC000352484408 369751648 /nfs/dbraw/zinc/75/16/48/369751648.db2.gz OUOFOCSZXHRZNV-NSHDSACASA-N 0 1 264.325 2.360 20 5 CEBDMN CCCCN(C(=O)c1n[nH]c(CC)c1[N+](=O)[O-])C1CC1 ZINC000354087669 370212298 /nfs/dbraw/zinc/21/22/98/370212298.db2.gz DSOYDTONECVNCN-UHFFFAOYSA-N 0 1 280.328 2.285 20 5 CEBDMN C[C@@H](O)C1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000225782036 370317874 /nfs/dbraw/zinc/31/78/74/370317874.db2.gz OHLRQQNBAKWVHX-LLVKDONJSA-N 0 1 264.325 2.188 20 5 CEBDMN O=[N+]([O-])c1ccccc1CNCCOCC1CC1 ZINC000224528928 370279910 /nfs/dbraw/zinc/27/99/10/370279910.db2.gz GXPLUNRCALZIRC-UHFFFAOYSA-N 0 1 250.298 2.111 20 5 CEBDMN Cc1ccnc(NC[C@H](C)[N@@H+](C)C2CC2)c1[N+](=O)[O-] ZINC000227116187 370360480 /nfs/dbraw/zinc/36/04/80/370360480.db2.gz UXJARFYREPHHLE-JTQLQIEISA-N 0 1 264.329 2.193 20 5 CEBDMN CCc1nnc(Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)[nH]1 ZINC000358797531 371225379 /nfs/dbraw/zinc/22/53/79/371225379.db2.gz DAPUEVWSAKAYMS-UHFFFAOYSA-N 0 1 298.306 2.187 20 5 CEBDMN O=[N+]([O-])c1ccc(CN2C[C@@H]3CC[C@H](O)[C@H]3C2)c(Cl)c1 ZINC000252880429 371486970 /nfs/dbraw/zinc/48/69/70/371486970.db2.gz SPOAWTOSWUHZQN-WFBYXXMGSA-N 0 1 296.754 2.451 20 5 CEBDMN COc1cc([N+](=O)[O-])ccc1CN1CC[C@@H](CO)C[C@@H]1C ZINC000344167676 217082697 /nfs/dbraw/zinc/08/26/97/217082697.db2.gz NQRAEFNENHOCDR-NWDGAFQWSA-N 0 1 294.351 2.196 20 5 CEBDMN C[C@H]1CN(Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1CO ZINC000362063602 372195663 /nfs/dbraw/zinc/19/56/63/372195663.db2.gz HMOUXPIHXMLRBC-GXSJLCMTSA-N 0 1 284.743 2.308 20 5 CEBDMN Cc1c([C@H](C)NC[C@@H](O)C(F)(F)F)cccc1[N+](=O)[O-] ZINC000268880947 372269812 /nfs/dbraw/zinc/26/98/12/372269812.db2.gz XPHLTNFRNAXWDG-GZMMTYOYSA-N 0 1 292.257 2.477 20 5 CEBDMN CC(C)CN(C)C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000269370130 372431910 /nfs/dbraw/zinc/43/19/10/372431910.db2.gz LWSUFJYHANIRQH-UHFFFAOYSA-N 0 1 268.317 2.169 20 5 CEBDMN COc1ccc(CN[C@@H](C)c2cn[nH]c2)cc1[N+](=O)[O-] ZINC000270232217 372710496 /nfs/dbraw/zinc/71/04/96/372710496.db2.gz QZIMSTJPDBSMOV-VIFPVBQESA-N 0 1 276.296 2.177 20 5 CEBDMN C[C@@H]1C[C@H](c2ccsc2)CN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000364639695 372781937 /nfs/dbraw/zinc/78/19/37/372781937.db2.gz NISSDVAIRTVNSX-SASUGWTJSA-N 0 1 280.349 2.118 20 5 CEBDMN C[C@@H]1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])[C@@H]1c1cccc(F)c1 ZINC000365774755 372930896 /nfs/dbraw/zinc/93/08/96/372930896.db2.gz YFCCGCFRMQCWMI-JXJLXUTGSA-N 0 1 292.310 2.400 20 5 CEBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC2(C1)CCCCCC2 ZINC000370215972 373607521 /nfs/dbraw/zinc/60/75/21/373607521.db2.gz NIEXRKXQNVCNFR-NEPJUHHUSA-N 0 1 266.341 2.225 20 5 CEBDMN Cc1ccccc1[C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000370535018 373678345 /nfs/dbraw/zinc/67/83/45/373678345.db2.gz IDCGMWKNVWSEJP-HBJVGIJOSA-N 0 1 274.320 2.022 20 5 CEBDMN C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)[C@H]1CC1[N+](=O)[O-] ZINC000371923655 374005669 /nfs/dbraw/zinc/00/56/69/374005669.db2.gz JYAWRGOBDMVRQL-ZZVYKPCYSA-N 0 1 274.320 2.056 20 5 CEBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(c2cccc(F)c2)CC1 ZINC000374068961 374480617 /nfs/dbraw/zinc/48/06/17/374480617.db2.gz XRYBPNIFGXNLMP-ZIAGYGMSSA-N 0 1 292.310 2.197 20 5 CEBDMN CCNC(=O)[C@H](C)N[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000278204591 374751284 /nfs/dbraw/zinc/75/12/84/374751284.db2.gz HCBDDVLGJPMZFY-IINYFYTJSA-N 0 1 291.351 2.086 20 5 CEBDMN CC[C@@H](C)[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])C(F)(F)F ZINC000278155020 374736159 /nfs/dbraw/zinc/73/61/59/374736159.db2.gz OTTHXXLSQIEZIB-XRGYYRRGSA-N 0 1 294.233 2.025 20 5 CEBDMN O=C(N[C@@H]1CCC[C@@H]1c1ccccc1)[C@H]1CC1[N+](=O)[O-] ZINC000377604131 374895888 /nfs/dbraw/zinc/89/58/88/374895888.db2.gz CNKDVVYZIOUOPK-XJFOESAGSA-N 0 1 274.320 2.104 20 5 CEBDMN COC(=O)[C@@H]1CN(Cc2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000378005632 374999443 /nfs/dbraw/zinc/99/94/43/374999443.db2.gz ZGMLUYCVZIHFBF-ZDUSSCGKSA-N 0 1 292.335 2.226 20 5 CEBDMN O=[N+]([O-])c1cc(CN2CCOCC3(CC3)C2)cs1 ZINC000408174868 375422387 /nfs/dbraw/zinc/42/23/87/375422387.db2.gz NFZXEAQGJPIQED-UHFFFAOYSA-N 0 1 268.338 2.269 20 5 CEBDMN C[C@H]1CCC[C@@H](CO)N1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000283072699 375648513 /nfs/dbraw/zinc/64/85/13/375648513.db2.gz KFKBVMLIIFZMQU-JQWIXIFHSA-N 0 1 282.315 2.469 20 5 CEBDMN Cc1c([C@H](C)N[C@H](C)C(=O)NC(C)C)cccc1[N+](=O)[O-] ZINC000414328682 375832653 /nfs/dbraw/zinc/83/26/53/375832653.db2.gz AUBFBXFZBMDARV-NWDGAFQWSA-N 0 1 293.367 2.467 20 5 CEBDMN CCCc1[nH]nc(C(=O)N2C[C@H](C)[C@H](C)[C@H]2C)c1[N+](=O)[O-] ZINC000416323529 376039945 /nfs/dbraw/zinc/03/99/45/376039945.db2.gz VCLXKAXXSALAMR-LPEHRKFASA-N 0 1 294.355 2.387 20 5 CEBDMN C[C@@H](NCCOc1ccc([N+](=O)[O-])cc1)c1ncc[nH]1 ZINC000556860448 376509389 /nfs/dbraw/zinc/50/93/89/376509389.db2.gz BJVIDOZAINYCBB-SNVBAGLBSA-N 0 1 276.296 2.048 20 5 CEBDMN CC[C@H]1C[N@@H+](C)CCN1Cc1csc([N+](=O)[O-])c1 ZINC000556953311 376524364 /nfs/dbraw/zinc/52/43/64/376524364.db2.gz HUFYIGMDFHFBCF-NSHDSACASA-N 0 1 269.370 2.182 20 5 CEBDMN CC[C@H]1CN(C)CCN1Cc1csc([N+](=O)[O-])c1 ZINC000556953311 376524370 /nfs/dbraw/zinc/52/43/70/376524370.db2.gz HUFYIGMDFHFBCF-NSHDSACASA-N 0 1 269.370 2.182 20 5 CEBDMN COc1ccc([N+](=O)[O-])cc1CN1CCCC[C@H]1[C@@H](C)O ZINC000264479342 190112942 /nfs/dbraw/zinc/11/29/42/190112942.db2.gz ZNDRCLFTWARLEE-RISCZKNCSA-N 0 1 294.351 2.339 20 5 CEBDMN O=C(NCc1ccc([N+](=O)[O-])cc1)c1n[nH]c2ccccc21 ZINC000316422067 376804193 /nfs/dbraw/zinc/80/41/93/376804193.db2.gz CMVINLHTAVLLRU-UHFFFAOYSA-N 0 1 296.286 2.401 20 5 CEBDMN C[C@H]1CCCC[C@H]1N(C)Cc1c([N+](=O)[O-])ncn1C ZINC000331075349 377270570 /nfs/dbraw/zinc/27/05/70/377270570.db2.gz UWBQWKPJSGFJIV-WDEREUQCSA-N 0 1 266.345 2.339 20 5 CEBDMN COc1cccc([N+](=O)[O-])c1N1CCN(CC2CC2)CC1 ZINC000564239244 377364974 /nfs/dbraw/zinc/36/49/74/377364974.db2.gz XULFIRODVXNSBD-UHFFFAOYSA-N 0 1 291.351 2.135 20 5 CEBDMN CC[C@H](C)CONC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000293800542 377763910 /nfs/dbraw/zinc/76/39/10/377763910.db2.gz SVLLZUWIJSVLCP-QMMMGPOBSA-N 0 1 268.269 2.008 20 5 CEBDMN CC[C@H]1CN(C)CCN1Cc1cc([N+](=O)[O-])ccc1OC ZINC000567448015 377819093 /nfs/dbraw/zinc/81/90/93/377819093.db2.gz OSMHQEGKVPHMKG-ZDUSSCGKSA-N 0 1 293.367 2.129 20 5 CEBDMN Cc1cc(C[C@H](C)Nc2ccc([N+](=O)[O-])nc2)[nH]n1 ZINC000450391434 378389262 /nfs/dbraw/zinc/38/92/62/378389262.db2.gz LWXJRJRMWRUONV-QMMMGPOBSA-N 0 1 261.285 2.064 20 5 CEBDMN Cc1nc(NC[C@@H](c2ccco2)N(C)C)ncc1[N+](=O)[O-] ZINC000296229340 378460836 /nfs/dbraw/zinc/46/08/36/378460836.db2.gz DTAQAMITEXVRDD-NSHDSACASA-N 0 1 291.311 2.001 20 5 CEBDMN Cc1cc(N2CC(C)(CO)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000450785401 378578773 /nfs/dbraw/zinc/57/87/73/378578773.db2.gz AFEZZLGAYFVXNH-UHFFFAOYSA-N 0 1 287.319 2.270 20 5 CEBDMN CCN(CC)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000298763552 378825184 /nfs/dbraw/zinc/82/51/84/378825184.db2.gz VSUQAHUWAXATSC-UHFFFAOYSA-N 0 1 276.296 2.487 20 5 CEBDMN CC[C@H](N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)C(=O)NC ZINC000453405980 378890776 /nfs/dbraw/zinc/89/07/76/378890776.db2.gz OYHSGTDYQGIGRG-JQWIXIFHSA-N 0 1 279.340 2.078 20 5 CEBDMN CC[C@H](N[C@@H](CC)c1cccc([N+](=O)[O-])c1)C(=O)NC ZINC000453424543 378900582 /nfs/dbraw/zinc/90/05/82/378900582.db2.gz YGNRFIVFFQVGKS-STQMWFEESA-N 0 1 279.340 2.160 20 5 CEBDMN Cc1[nH]nc(C(=O)N(C)[C@@H]2CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC000299536711 379034291 /nfs/dbraw/zinc/03/42/91/379034291.db2.gz NHFNJZYGUUUXGU-WCBMZHEXSA-N 0 1 280.328 2.277 20 5 CEBDMN Cc1[nH]nc(C(=O)N(C)Cc2ccc(C)cc2)c1[N+](=O)[O-] ZINC000299546146 379038575 /nfs/dbraw/zinc/03/85/75/379038575.db2.gz PQAIBFMWSUDMHW-UHFFFAOYSA-N 0 1 288.307 2.207 20 5 CEBDMN Cc1cn[nH]c1CN[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000289454619 197355128 /nfs/dbraw/zinc/35/51/28/197355128.db2.gz HHIOZLATWRHGTM-SNVBAGLBSA-N 0 1 260.297 2.477 20 5 CEBDMN CCN1C[C@@H](C)N(c2ncc([N+](=O)[O-])cc2F)C[C@@H]1C ZINC000517709047 379376282 /nfs/dbraw/zinc/37/62/82/379376282.db2.gz HILDBKZIPLTMJW-VHSXEESVSA-N 0 1 282.319 2.048 20 5 CEBDMN CC(C)C[C@H](C(=O)[O-])[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000520823558 379506839 /nfs/dbraw/zinc/50/68/39/379506839.db2.gz IXIUGUUMPOOYPE-CQSZACIVSA-N 0 1 292.335 2.452 20 5 CEBDMN COCCCN(C)Cc1ccc([N+](=O)[O-])cc1F ZINC000266982945 190295147 /nfs/dbraw/zinc/29/51/47/190295147.db2.gz BBZKLDLFRGTEQG-UHFFFAOYSA-N 0 1 256.277 2.202 20 5 CEBDMN COC[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000267078230 190301844 /nfs/dbraw/zinc/30/18/44/190301844.db2.gz XETLZOVXAFGLTP-SNVBAGLBSA-N 0 1 268.288 2.202 20 5 CEBDMN C[C@H]1CC[C@H](CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000334071270 380231471 /nfs/dbraw/zinc/23/14/71/380231471.db2.gz ZYBLQQKLQSGKQN-UWVGGRQHSA-N 0 1 278.308 2.466 20 5 CEBDMN O=C(NCC(C1CC1)C1CC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000541877728 380285064 /nfs/dbraw/zinc/28/50/64/380285064.db2.gz ZDEMTXAANBKAST-UHFFFAOYSA-N 0 1 290.319 2.466 20 5 CEBDMN C[N@H+](CCC(=O)[O-])Cc1cc([N+](=O)[O-])ccc1Cl ZINC000237242301 131017092 /nfs/dbraw/zinc/01/70/92/131017092.db2.gz DBMBTJIDVZQQOE-UHFFFAOYSA-N 0 1 272.688 2.155 20 5 CEBDMN C[N@@H+](CCC(=O)[O-])Cc1cc([N+](=O)[O-])ccc1Cl ZINC000237242301 131017094 /nfs/dbraw/zinc/01/70/94/131017094.db2.gz DBMBTJIDVZQQOE-UHFFFAOYSA-N 0 1 272.688 2.155 20 5 CEBDMN CCCCN(CCO)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000355632244 394482238 /nfs/dbraw/zinc/48/22/38/394482238.db2.gz WGOKEDIBBWWLSQ-UHFFFAOYSA-N 0 1 292.339 2.066 20 5 CEBDMN Cc1cc(NCc2n[nH]c(C(C)(C)C)n2)ncc1[N+](=O)[O-] ZINC000413414663 394545832 /nfs/dbraw/zinc/54/58/32/394545832.db2.gz NEFJNGYXAFSCNH-UHFFFAOYSA-N 0 1 290.327 2.326 20 5 CEBDMN CC(C)CNC(=O)[C@H](C)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000079309494 394631425 /nfs/dbraw/zinc/63/14/25/394631425.db2.gz QIWWERSQQTXAQF-NEPJUHHUSA-N 0 1 293.367 2.406 20 5 CEBDMN CC(C)N(C(=O)c1cc(O)cc([N+](=O)[O-])c1)C1CC1 ZINC000269258872 394715773 /nfs/dbraw/zinc/71/57/73/394715773.db2.gz ANLMKFKLDLVHEF-UHFFFAOYSA-N 0 1 264.281 2.313 20 5 CEBDMN CC(C)c1[nH]nc(C(=O)N2CCSC[C@@H]2C)c1[N+](=O)[O-] ZINC000269333245 394717308 /nfs/dbraw/zinc/71/73/08/394717308.db2.gz ATACGJFHYDGFJB-QMMMGPOBSA-N 0 1 298.368 2.019 20 5 CEBDMN CC1=CCN(C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])CC1 ZINC000270146372 394726756 /nfs/dbraw/zinc/72/67/56/394726756.db2.gz RRHFOFCETAMGNM-UHFFFAOYSA-N 0 1 278.312 2.234 20 5 CEBDMN CC(C)n1nnnc1SCc1cc(O)ccc1[N+](=O)[O-] ZINC000436474584 395119624 /nfs/dbraw/zinc/11/96/24/395119624.db2.gz LYARRCNIOSWDNW-UHFFFAOYSA-N 0 1 295.324 2.160 20 5 CEBDMN C[C@@H]1C[C@@H](CO)CN(Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000398814773 395238017 /nfs/dbraw/zinc/23/80/17/395238017.db2.gz QNBZNZWYGSJPCR-GHMZBOCLSA-N 0 1 282.315 2.184 20 5 CEBDMN C[C@@H]1CN(c2c3c(ccc2[N+](=O)[O-])NCC3)C[C@H](C)N1C ZINC000292735014 395203453 /nfs/dbraw/zinc/20/34/53/395203453.db2.gz ILUMUJJWOUPEMQ-PHIMTYICSA-N 0 1 290.367 2.092 20 5 CEBDMN C[C@H](NC(=O)CCc1cnc[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000189168170 395324818 /nfs/dbraw/zinc/32/48/18/395324818.db2.gz AIPMFOUPXVDPKI-JTQLQIEISA-N 0 1 288.307 2.128 20 5 CEBDMN CCC[C@H](C)N(C)C(=O)c1n[nH]c(CC)c1[N+](=O)[O-] ZINC000443953251 395407209 /nfs/dbraw/zinc/40/72/09/395407209.db2.gz RSBWEMHMQPLNCT-QMMMGPOBSA-N 0 1 268.317 2.141 20 5 CEBDMN CCc1[nH]nc(C(=O)N(C)[C@@H](C)C2CCC2)c1[N+](=O)[O-] ZINC000444340001 395428794 /nfs/dbraw/zinc/42/87/94/395428794.db2.gz IGSJOZFUOSFCSX-QMMMGPOBSA-N 0 1 280.328 2.141 20 5 CEBDMN CC[C@H](C)N1CCN(c2c([N+](=O)[O-])nc(C)n2CC)CC1 ZINC000450863762 395580127 /nfs/dbraw/zinc/58/01/27/395580127.db2.gz UDSKLHWYRSWLMC-NSHDSACASA-N 0 1 295.387 2.040 20 5 CEBDMN Cc1c(NC(=O)CCN2CC[C@H](F)C2)cccc1[N+](=O)[O-] ZINC000451201959 395593392 /nfs/dbraw/zinc/59/33/92/395593392.db2.gz VVVHAGQTKSZCAI-NSHDSACASA-N 0 1 295.314 2.276 20 5 CEBDMN COc1ccc([N+](=O)[O-])c(N2C[C@@H](C)N(C)[C@H](C)C2)c1 ZINC000338783231 286383335 /nfs/dbraw/zinc/38/33/35/286383335.db2.gz FXMCBUDDHJSGQN-GHMZBOCLSA-N 0 1 279.340 2.132 20 5 CEBDMN C[C@@H]1C[C@H](c2ccccc2)CCN1C(=O)[C@H]1CC1[N+](=O)[O-] ZINC000366950862 156108736 /nfs/dbraw/zinc/10/87/36/156108736.db2.gz HJUYKPGHLKARRM-RZFFKMDDSA-N 0 1 288.347 2.446 20 5 CEBDMN C[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000170766412 165042175 /nfs/dbraw/zinc/04/21/75/165042175.db2.gz GVZBADKNIQCPCJ-NSHDSACASA-N 0 1 250.298 2.206 20 5 CEBDMN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc2[nH]nnc2c1 ZINC000176736824 165173377 /nfs/dbraw/zinc/17/33/77/165173377.db2.gz BIHXICWXELVPBJ-UHFFFAOYSA-N 0 1 297.274 2.427 20 5 CEBDMN C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H](C(=O)[O-])C1 ZINC000086790325 287152619 /nfs/dbraw/zinc/15/26/19/287152619.db2.gz WUFCKYWDSUJLGA-UWVGGRQHSA-N 0 1 264.281 2.062 20 5 CEBDMN Cc1n[nH]cc1CN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000038011310 173979567 /nfs/dbraw/zinc/97/95/67/173979567.db2.gz SODRUHGZYMGVHD-SECBINFHSA-N 0 1 260.297 2.477 20 5 CEBDMN CCN(Cc1cc([N+](=O)[O-])ccc1OC)CC(C)(C)O ZINC000078748507 177381730 /nfs/dbraw/zinc/38/17/30/177381730.db2.gz KKFRDZNUTHQOTH-UHFFFAOYSA-N 0 1 282.340 2.196 20 5 CEBDMN C[C@@H](Cc1ccccc1[N+](=O)[O-])N[C@@H](C)c1ncnn1C ZINC000449276836 260344620 /nfs/dbraw/zinc/34/46/20/260344620.db2.gz DBBDOQHFBACCGN-QWRGUYRKSA-N 0 1 289.339 2.005 20 5 CEBDMN O=[N+]([O-])c1ccccc1C=CCN1CC[C@@H](c2nnc[nH]2)C1 ZINC000425358695 264070235 /nfs/dbraw/zinc/07/02/35/264070235.db2.gz RCCMEWCAEGUCGL-HSBHDXMMSA-N 0 1 299.334 2.216 20 5 CEBDMN CO[C@@H](C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1)C1CC1 ZINC000425418546 264296505 /nfs/dbraw/zinc/29/65/05/264296505.db2.gz IYLJZRYCQHDEDF-HNNXBMFYSA-N 0 1 276.336 2.378 20 5 CEBDMN CO[C@@H](CN1CCc2ccc([N+](=O)[O-])cc2C1)C1CC1 ZINC000425418546 264296507 /nfs/dbraw/zinc/29/65/07/264296507.db2.gz IYLJZRYCQHDEDF-HNNXBMFYSA-N 0 1 276.336 2.378 20 5 CEBDMN C[C@@H](NCc1ccnc(N)c1)c1cccc([N+](=O)[O-])c1 ZINC000193488862 270285487 /nfs/dbraw/zinc/28/54/87/270285487.db2.gz CVXTULUWKUFCDC-SNVBAGLBSA-N 0 1 272.308 2.423 20 5 CEBDMN Cc1cnn(C)c1CN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000285504610 270331680 /nfs/dbraw/zinc/33/16/80/270331680.db2.gz QHSFGFQLTUTKSY-LLVKDONJSA-N 0 1 274.324 2.488 20 5 CEBDMN CCN1CCN(c2nccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413027173 273667389 /nfs/dbraw/zinc/66/73/89/273667389.db2.gz YCUWNXIEUKSKPA-UHFFFAOYSA-N 0 1 286.335 2.285 20 5 CEBDMN Cc1cc(C)c([N+](=O)[O-])c(N2CCN(C(C)C)CC2)n1 ZINC000408171116 274686252 /nfs/dbraw/zinc/68/62/52/274686252.db2.gz HDCQEZPAQQJZCC-UHFFFAOYSA-N 0 1 278.356 2.137 20 5 CEBDMN O=[N+]([O-])c1cc(Cl)cnc1N[C@H]1CCc2[nH]cnc2C1 ZINC000370265605 275033725 /nfs/dbraw/zinc/03/37/25/275033725.db2.gz JCCAVLBDWSINSB-QMMMGPOBSA-N 0 1 293.714 2.336 20 5 CEBDMN CCOc1cccc(N2CCN(CC)CC2)c1[N+](=O)[O-] ZINC000273177271 276381224 /nfs/dbraw/zinc/38/12/24/276381224.db2.gz NQQAPMUDSVMRIZ-UHFFFAOYSA-N 0 1 279.340 2.135 20 5 CEBDMN C[C@@H]1CCC[C@H]1NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000269286812 277732081 /nfs/dbraw/zinc/73/20/81/277732081.db2.gz NVSFAHDSRAOTJJ-PRHODGIISA-N 0 1 264.281 2.219 20 5 CEBDMN CSCCN1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000340691158 278130494 /nfs/dbraw/zinc/13/04/94/278130494.db2.gz QDXURVIPOHNZCY-UHFFFAOYSA-N 0 1 252.339 2.316 20 5 CEBDMN CCN1C[C@H](C)N(C(=O)c2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000344417541 279452398 /nfs/dbraw/zinc/45/23/98/279452398.db2.gz FECGNRMJUFVQCA-RYUDHWBXSA-N 0 1 291.351 2.150 20 5 CEBDMN C[C@H]1C[C@H](Nc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC[N@H+]1C ZINC000211473099 280206978 /nfs/dbraw/zinc/20/69/78/280206978.db2.gz PACMWJBZUYSBLS-GXSJLCMTSA-N 0 1 293.323 2.188 20 5 CEBDMN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(C)CC[C@H]1C ZINC000354009191 281016618 /nfs/dbraw/zinc/01/66/18/281016618.db2.gz UPTCKYHRHXNVMP-GFCCVEGCSA-N 0 1 291.351 2.069 20 5 CEBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@H](C)C(=O)NCCF ZINC000514798368 297553737 /nfs/dbraw/zinc/55/37/37/297553737.db2.gz NXMQZFQLWVLUEW-GHMZBOCLSA-N 0 1 297.330 2.028 20 5 CEBDMN COc1ccc(OCCN2[C@H](C)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000548096450 298393358 /nfs/dbraw/zinc/39/33/58/298393358.db2.gz YINMJEGDBFRWSQ-PHIMTYICSA-N 0 1 280.324 2.465 20 5 CEBDMN C[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C[C@@H]1C(=O)[O-] ZINC000573323763 314152342 /nfs/dbraw/zinc/15/23/42/314152342.db2.gz XTXFAGGQUSMZDK-SKDRFNHKSA-N 0 1 296.298 2.277 20 5 CEBDMN CCN(C)C(=O)[C@@H](C)N[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000581081463 322368467 /nfs/dbraw/zinc/36/84/67/322368467.db2.gz BAQXZPSPUHPILZ-ZWNOBZJWSA-N 0 1 291.351 2.039 20 5 CEBDMN C[C@H]1CC[C@H](C(=O)[O-])C[N@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000396961002 329318650 /nfs/dbraw/zinc/31/86/50/329318650.db2.gz BSXHZGYYCVRRMW-ONGXEEELSA-N 0 1 296.298 2.419 20 5 CEBDMN CC(=O)NC1CCN([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000050991769 519647112 /nfs/dbraw/zinc/64/71/12/519647112.db2.gz QPRVBWRRZZBKFP-NSHDSACASA-N 0 1 291.351 2.256 20 5 CEBDMN CCCc1[nH]nc(C(=O)N2CC[C@H](C3CC3)C2)c1[N+](=O)[O-] ZINC000366693601 521327763 /nfs/dbraw/zinc/32/77/63/521327763.db2.gz YIZREJQHSHWFMK-JTQLQIEISA-N 0 1 292.339 2.143 20 5 CEBDMN CN(CC(=O)Nc1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000048391312 522520866 /nfs/dbraw/zinc/52/08/66/522520866.db2.gz VFKIZQFLRLOHIH-UHFFFAOYSA-N 0 1 277.324 2.408 20 5 CEBDMN C[C@H](C[N@@H+](C)Cc1ccc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC000050444747 524296870 /nfs/dbraw/zinc/29/68/70/524296870.db2.gz SHZMAOUGGWMXMN-MRVPVSSYSA-N 0 1 286.715 2.401 20 5 CEBDMN O=C(OC[C@H]1CC1(Cl)Cl)c1ccc([N+](=O)[O-])[nH]1 ZINC000749198272 575208447 /nfs/dbraw/zinc/20/84/47/575208447.db2.gz HTXMKVUXRHHBHE-RXMQYKEDSA-N 0 1 279.079 2.274 20 5 CEBDMN CN(CCOC(C)(C)C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000750091432 575246640 /nfs/dbraw/zinc/24/66/40/575246640.db2.gz KLSKEOXRZIHFFG-AWEZNQCLSA-N 0 1 296.367 2.375 20 5 CEBDMN O=C(OCc1cc(Cl)ccn1)c1ccc([N+](=O)[O-])[nH]1 ZINC000751172220 575284101 /nfs/dbraw/zinc/28/41/01/575284101.db2.gz QGFIGQTVPWECKO-UHFFFAOYSA-N 0 1 281.655 2.328 20 5 CEBDMN O=c1[nH]c2ccc(CNCc3ccccc3[N+](=O)[O-])cc2[nH]1 ZINC000753568919 575330308 /nfs/dbraw/zinc/33/03/08/575330308.db2.gz VIRHDXJWXNTIEA-UHFFFAOYSA-N 0 1 298.302 2.467 20 5 CEBDMN C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](NC(=O)[O-])C1 ZINC000825638025 604036210 /nfs/dbraw/zinc/03/62/10/604036210.db2.gz JCONEZHBSUBVIQ-MNOVXSKESA-N 0 1 293.323 2.388 20 5 CEBDMN C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](NC(=O)[O-])C1 ZINC000825638025 604036213 /nfs/dbraw/zinc/03/62/13/604036213.db2.gz JCONEZHBSUBVIQ-MNOVXSKESA-N 0 1 293.323 2.388 20 5 CEBDMN C[N@H+](CC(=O)[O-])Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000820569459 604539558 /nfs/dbraw/zinc/53/95/58/604539558.db2.gz QVMJNHUACYEKPA-UHFFFAOYSA-N 0 1 290.275 2.371 20 5 CEBDMN C[N@@H+](CC(=O)[O-])Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000820569459 604539561 /nfs/dbraw/zinc/53/95/61/604539561.db2.gz QVMJNHUACYEKPA-UHFFFAOYSA-N 0 1 290.275 2.371 20 5 CEBDMN CO[C@@H]1CC[C@H]1N(C)Cc1ccccc1[N+](=O)[O-] ZINC000934112663 624233874 /nfs/dbraw/zinc/23/38/74/624233874.db2.gz VCDKTRVRKCUZCF-CHWSQXEVSA-N 0 1 250.298 2.204 20 5 CEBDMN CN(CCCn1ccnc1)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000181077215 627368500 /nfs/dbraw/zinc/36/85/00/627368500.db2.gz ARKRBTZXKZOHEN-UHFFFAOYSA-N 0 1 292.314 2.453 20 5 CEBDMN O=[N+]([O-])CCN[C@H](c1ccccc1)C1(CO)CCCC1 ZINC000930681854 628219027 /nfs/dbraw/zinc/21/90/27/628219027.db2.gz RAQZEYRSYRBZKH-CQSZACIVSA-N 0 1 278.352 2.147 20 5 CEBDMN Cc1ccc(C(=O)[C@@H](C)OC(=O)[C@@H]2CC2[N+](=O)[O-])cc1C ZINC000840672519 629313440 /nfs/dbraw/zinc/31/34/40/629313440.db2.gz SNMDKIFEWAPFON-RAIGVLPGSA-N 0 1 291.303 2.083 20 5 CEBDMN O=C(OC[C@@H]1CCCCC1(F)F)[C@@H]1CC1[N+](=O)[O-] ZINC000840674644 629373133 /nfs/dbraw/zinc/37/31/33/629373133.db2.gz ODGJGUMLMDLNSW-DJLDLDEBSA-N 0 1 263.240 2.020 20 5 CEBDMN CCC(=O)c1ccc(N(C)CCN(C)C)c([N+](=O)[O-])c1 ZINC000795106160 629441196 /nfs/dbraw/zinc/44/11/96/629441196.db2.gz UOXFANAWYFSKJR-UHFFFAOYSA-N 0 1 279.340 2.185 20 5 CEBDMN CCN1[C@H](C)CN(c2nccc(C)c2[N+](=O)[O-])C[C@@H]1C ZINC000895100269 629895644 /nfs/dbraw/zinc/89/56/44/629895644.db2.gz SXZUYKGBWQVTDU-TXEJJXNPSA-N 0 1 278.356 2.217 20 5 CEBDMN COC(=O)CC(C)(C)NCc1ccc([N+](=O)[O-])cc1OC ZINC000797519012 630271259 /nfs/dbraw/zinc/27/12/59/630271259.db2.gz RFRFVYBENZOIMH-UHFFFAOYSA-N 0 1 296.323 2.035 20 5 CEBDMN CC[C@]1(O)CCN(Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000801546300 631286580 /nfs/dbraw/zinc/28/65/80/631286580.db2.gz JBJGTNGTOZVJHX-ZDUSSCGKSA-N 0 1 268.288 2.081 20 5 CEBDMN CC(C)(CCc1ccccc1)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840314339 632794796 /nfs/dbraw/zinc/79/47/96/632794796.db2.gz FRHGRTCVUHAFDB-CHWSQXEVSA-N 0 1 276.336 2.179 20 5 CEBDMN COc1cc(CNCC[N+](=O)[O-])ccc1OCCC(C)C ZINC000899871096 633063217 /nfs/dbraw/zinc/06/32/17/633063217.db2.gz NYSLBMAYMACMOC-UHFFFAOYSA-N 0 1 296.367 2.486 20 5 CEBDMN C[C@]1(C(=O)OCc2cc(O)ccc2[N+](=O)[O-])CC1(F)F ZINC000817250271 633608861 /nfs/dbraw/zinc/60/88/61/633608861.db2.gz JHTJKHSCGJJROF-LLVKDONJSA-N 0 1 287.218 2.389 20 5 CEBDMN Cc1nc(NC(=O)[C@@H]2CCCN2C(C)C)ccc1[N+](=O)[O-] ZINC000903817598 635273785 /nfs/dbraw/zinc/27/37/85/635273785.db2.gz ADPRGVZVRJWUPP-LBPRGKRZSA-N 0 1 292.339 2.110 20 5 CEBDMN CN(Cc1ccc([N+](=O)[O-])c(Cl)c1)C1(CO)CC1 ZINC000827903585 636456135 /nfs/dbraw/zinc/45/61/35/636456135.db2.gz KYRVAPDRZCFOOB-UHFFFAOYSA-N 0 1 270.716 2.205 20 5 CEBDMN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1C[C@@H](C)N[C@H](C)C1 ZINC000876530681 650307251 /nfs/dbraw/zinc/30/72/51/650307251.db2.gz PODVFUYBNXZQSY-GHMZBOCLSA-N 0 1 291.351 2.034 20 5 CEBDMN Cc1cc(N[C@@H]2CC[N@@H+](C)[C@H]2C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000910355079 638025721 /nfs/dbraw/zinc/02/57/21/638025721.db2.gz GFILNXJXRSTMCF-JOYOIKCWSA-N 0 1 293.323 2.106 20 5 CEBDMN O=C(OCc1cc(O)ccc1[N+](=O)[O-])C1CC=CC1 ZINC000837537240 639271592 /nfs/dbraw/zinc/27/15/92/639271592.db2.gz BBBRZQHDBDKSMO-UHFFFAOYSA-N 0 1 263.249 2.310 20 5 CEBDMN CC(C)(F)C(=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837611351 639307878 /nfs/dbraw/zinc/30/78/78/639307878.db2.gz RQIPOSMUZJQATI-UHFFFAOYSA-N 0 1 257.217 2.092 20 5 CEBDMN CC[C@@H](C)[C@@H](OC)C(=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837696753 639347123 /nfs/dbraw/zinc/34/71/23/639347123.db2.gz QNZAEVUICAOKQY-NOZJJQNGSA-N 0 1 297.307 2.405 20 5 CEBDMN C[C@@H]1CN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CCN1 ZINC000841010232 639616452 /nfs/dbraw/zinc/61/64/52/639616452.db2.gz DHDZHNPISOBRIV-MRVPVSSYSA-N 0 1 298.730 2.074 20 5 CEBDMN C[C@H]1C[C@@H](c2cccc(F)c2)N(CC[N+](=O)[O-])C1 ZINC000929724270 640034420 /nfs/dbraw/zinc/03/44/20/640034420.db2.gz YWVCQKQGNBTWCG-GWCFXTLKSA-N 0 1 252.289 2.485 20 5 CEBDMN O=C(NCC1(c2ccccc2F)CCC1)[C@@H]1CC1[N+](=O)[O-] ZINC000844651308 640795559 /nfs/dbraw/zinc/79/55/59/640795559.db2.gz GJENDWKTPSJHPM-ZWNOBZJWSA-N 0 1 292.310 2.029 20 5 CEBDMN C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)C[C@H](C)N1 ZINC000070076060 641628859 /nfs/dbraw/zinc/62/88/59/641628859.db2.gz MSUIBFDIPVKHMV-DTORHVGOSA-N 0 1 297.742 2.071 20 5 CEBDMN O=C(OCc1cc(O)ccc1[N+](=O)[O-])[C@H]1C[C@H]2C[C@H]2C1 ZINC000850264456 642645029 /nfs/dbraw/zinc/64/50/29/642645029.db2.gz BBKCMUUKNSPOFT-MYJAWHEDSA-N 0 1 277.276 2.390 20 5 CEBDMN O=[N+]([O-])c1cccc(-c2ncn(CN3CC[C@@H]4C[C@@H]4C3)n2)c1 ZINC000853579858 643821292 /nfs/dbraw/zinc/82/12/92/643821292.db2.gz NLFCPGTZGSUSEE-DGCLKSJQSA-N 0 1 299.334 2.153 20 5 CEBDMN Cc1c(CN2C[C@H](O)CC(C)(C)C2)cccc1[N+](=O)[O-] ZINC000877752464 650896283 /nfs/dbraw/zinc/89/62/83/650896283.db2.gz RPOJTUCSMOUJJM-CYBMUJFWSA-N 0 1 278.352 2.496 20 5 CEBDMN CC(C)(C)[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839508290 644245185 /nfs/dbraw/zinc/24/51/85/644245185.db2.gz GRYBXVFNYYIAGI-DDHJBXDOSA-N 0 1 268.357 2.373 20 5 CEBDMN Cc1ccccc1[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])C(C)C ZINC000839687112 644773163 /nfs/dbraw/zinc/77/31/63/644773163.db2.gz VWQVZAAAWTWYRL-MGPQQGTHSA-N 0 1 276.336 2.474 20 5 CEBDMN CC[C@H](Cc1ccccc1)N(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839693657 644776411 /nfs/dbraw/zinc/77/64/11/644776411.db2.gz PRGBZRARUDGUTG-MGPQQGTHSA-N 0 1 276.336 2.131 20 5 CEBDMN Cc1cc(C)cc(C[C@@H](C)NC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC000839693283 644776420 /nfs/dbraw/zinc/77/64/20/644776420.db2.gz TXMUVPXKPXMUBU-MRVWCRGKSA-N 0 1 276.336 2.016 20 5 CEBDMN O=C(NC1(Cc2cccc(Cl)c2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC000839788463 644818219 /nfs/dbraw/zinc/81/82/19/644818219.db2.gz FBTJMHCQUNFTEV-VXGBXAGGSA-N 0 1 294.738 2.197 20 5 CEBDMN C[C@@H](c1ccccc1[N+](=O)[O-])N1CCN(C)[C@@H](C)C1 ZINC000761076960 645232348 /nfs/dbraw/zinc/23/23/48/645232348.db2.gz QKBDRECHZISNKW-RYUDHWBXSA-N 0 1 263.341 2.292 20 5 CEBDMN CCO[C@@H]1C[C@H](OC(=O)c2ccc([N+](=O)[O-])[nH]2)C12CCC2 ZINC000763585498 645559164 /nfs/dbraw/zinc/55/91/64/645559164.db2.gz QQBFMDQHTIQWGE-MNOVXSKESA-N 0 1 294.307 2.427 20 5 CEBDMN O=[N+]([O-])c1ccc(CN2CC[C@@H]3CC[C@@H](O)[C@@H]32)cc1F ZINC000860131375 645708747 /nfs/dbraw/zinc/70/87/47/645708747.db2.gz TUBGEXHXYQQDPK-ZLKJLUDKSA-N 0 1 280.299 2.079 20 5 CEBDMN CCN(CC)C(=O)CN[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000765335227 645757817 /nfs/dbraw/zinc/75/78/17/645757817.db2.gz UAIJIKOBHFDZGU-LBPRGKRZSA-N 0 1 293.367 2.422 20 5 CEBDMN Cc1ccc(CN(C)C2(C(N)=O)CCCC2)cc1[N+](=O)[O-] ZINC000878304173 651059848 /nfs/dbraw/zinc/05/98/48/651059848.db2.gz JGHUCKDHQIUIHJ-UHFFFAOYSA-N 0 1 291.351 2.133 20 5 CEBDMN CN(Cc1ccoc1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776280078 647045093 /nfs/dbraw/zinc/04/50/93/647045093.db2.gz ZJNOIADTPCDHKL-CQSZACIVSA-N 0 1 276.292 2.353 20 5 CEBDMN CC[C@@H]1C[C@@H](OC(=O)c2ccc([N+](=O)[O-])[nH]2)CCO1 ZINC000779302955 647308987 /nfs/dbraw/zinc/30/89/87/647308987.db2.gz MWHQYCRSKVYLMM-BDAKNGLRSA-N 0 1 268.269 2.037 20 5 CEBDMN Cc1ccc(CN[C@@H](C)c2ccnn2C)cc1[N+](=O)[O-] ZINC000865839928 647487034 /nfs/dbraw/zinc/48/70/34/647487034.db2.gz YETWYVYEWYFIHG-NSHDSACASA-N 0 1 274.324 2.488 20 5 CEBDMN C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])NCc1nccn1C ZINC000866258427 647699269 /nfs/dbraw/zinc/69/92/69/647699269.db2.gz WFPDMZIPVVBSPU-JTQLQIEISA-N 0 1 292.314 2.188 20 5 CEBDMN CC(C)(NCc1cccc([N+](=O)[O-])c1)C(=O)N1CCCC1 ZINC000793394769 648749874 /nfs/dbraw/zinc/74/98/74/648749874.db2.gz KNSDSGQSFDNQEP-UHFFFAOYSA-N 0 1 291.351 2.085 20 5 CEBDMN O=C(N[C@H]1C[C@H](Sc2ccccc2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000871100473 649005194 /nfs/dbraw/zinc/00/51/94/649005194.db2.gz SCLJVXBTKOQPBZ-OJAKKHQRSA-N 0 1 292.360 2.091 20 5 CEBDMN C[C@H](N[C@H]1CCC(=O)N(C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872037167 649249522 /nfs/dbraw/zinc/24/95/22/649249522.db2.gz BNGRUHPHOXCJMO-UWVGGRQHSA-N 0 1 295.314 2.005 20 5 CEBDMN C[C@@H](NC[C@H]1C[C@H](O)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872126174 649285155 /nfs/dbraw/zinc/28/51/55/649285155.db2.gz JCMYZFOEJAPLFB-OPRDCNLKSA-N 0 1 268.288 2.155 20 5 CEBDMN C[C@@H](OC(=O)c1ccc([N+](=O)[O-])[nH]1)[C@H]1CC12CC2 ZINC000873628545 649714566 /nfs/dbraw/zinc/71/45/66/649714566.db2.gz NDVRIJRVTRLMDU-HTQZYQBOSA-N 0 1 250.254 2.268 20 5 CEBDMN CCN1CC[C@@H]1CNC(=O)c1c(C)ccc([N+](=O)[O-])c1C ZINC000882498801 652111868 /nfs/dbraw/zinc/11/18/68/652111868.db2.gz YCLWXEGRSUHXKM-GFCCVEGCSA-N 0 1 291.351 2.036 20 5 CEBDMN CC[S@](=O)CCNCc1cc([N+](=O)[O-])ccc1Cl ZINC000134736522 652869958 /nfs/dbraw/zinc/86/99/58/652869958.db2.gz NOTTWWQRZZDHAI-GOSISDBHSA-N 0 1 290.772 2.106 20 5 CEBDMN CSCc1n[nH]c(CNc2ccccc2[N+](=O)[O-])n1 ZINC000884695447 652968272 /nfs/dbraw/zinc/96/82/72/652968272.db2.gz YNDBGLYFNWPZDN-UHFFFAOYSA-N 0 1 279.325 2.188 20 5 CEBDMN CSCc1nnc(CNc2ccccc2[N+](=O)[O-])[nH]1 ZINC000884695447 652968273 /nfs/dbraw/zinc/96/82/73/652968273.db2.gz YNDBGLYFNWPZDN-UHFFFAOYSA-N 0 1 279.325 2.188 20 5 CEBDMN CCCCC(=O)N(C)CCNCc1csc([N+](=O)[O-])c1 ZINC001266643221 802809414 /nfs/dbraw/zinc/80/94/14/802809414.db2.gz UBKZLBHLPJQWBU-UHFFFAOYSA-N 0 1 299.396 2.395 20 5 CEBDMN O=[N+]([O-])c1ccc(Cl)c(CN[C@H]2CC23CC(O)C3)c1 ZINC000724976935 803376771 /nfs/dbraw/zinc/37/67/71/803376771.db2.gz UPPLHBJCYXKEHZ-YDGIUTOCSA-N 0 1 282.727 2.251 20 5 CEBDMN CN1CC[C@@H]1CNc1nccc2c1cccc2[N+](=O)[O-] ZINC000712593354 814754408 /nfs/dbraw/zinc/75/44/08/814754408.db2.gz YLSANYFUKFLWHF-SNVBAGLBSA-N 0 1 272.308 2.259 20 5 CEBDMN O=[N+]([O-])c1ccc(-c2noc(CNCC3CC3)n2)cc1 ZINC000036884661 814943674 /nfs/dbraw/zinc/94/36/74/814943674.db2.gz NXZNLGFKAKFGPS-UHFFFAOYSA-N 0 1 274.280 2.144 20 5 CEBDMN CC(C)(O)[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000721788885 805419766 /nfs/dbraw/zinc/41/97/66/805419766.db2.gz OFWWJIVKUVVBRW-LLVKDONJSA-N 0 1 282.315 2.327 20 5 CEBDMN C[C@@H]1CC[C@@H](NC(=O)[C@](C)(N)c2cccc([N+](=O)[O-])c2)C1 ZINC001119326596 815092581 /nfs/dbraw/zinc/09/25/81/815092581.db2.gz XNEVLKFLWKIBEO-IXPVHAAZSA-N 0 1 291.351 2.074 20 5 CEBDMN C[C@H]1COC[C@@H]1NCc1ccc([N+](=O)[O-])cc1Cl ZINC000699780859 807842243 /nfs/dbraw/zinc/84/22/43/807842243.db2.gz CMDQMAQEKHLSPT-UFBFGSQYSA-N 0 1 270.716 2.373 20 5 CEBDMN CC[C@@H]1COC[C@H]1NCc1cc([N+](=O)[O-])ccc1OC ZINC000699831949 807866108 /nfs/dbraw/zinc/86/61/08/807866108.db2.gz AKJXLJCYBVFYNY-ZWNOBZJWSA-N 0 1 280.324 2.118 20 5 CEBDMN C[C@@H]1CCC[C@H](N(C)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000073587228 808735236 /nfs/dbraw/zinc/73/52/36/808735236.db2.gz QQXNBEBYSWEEHD-MNOVXSKESA-N 0 1 252.318 2.259 20 5 CEBDMN COCC1(N(C)Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000707157165 809881047 /nfs/dbraw/zinc/88/10/47/809881047.db2.gz VLZZHHGEMABBOS-UHFFFAOYSA-N 0 1 268.288 2.345 20 5 CEBDMN CC(C)N(Cc1cc(F)ccc1[N+](=O)[O-])C[C@H](C)O ZINC000709506529 809962752 /nfs/dbraw/zinc/96/27/52/809962752.db2.gz CTGBKRGUZBUKKW-JTQLQIEISA-N 0 1 270.304 2.325 20 5 CEBDMN [NH3+]Cc1nc(=O)[n-]n1-c1nc2ccccc2c2ccccc21 ZINC001168762061 810049189 /nfs/dbraw/zinc/04/91/89/810049189.db2.gz AJIRUEQAUYIORE-UHFFFAOYSA-N 0 1 291.314 2.133 20 5 CEBDMN Cc1cnc(CN)n1-c1c(C)cc(C)c([N+](=O)[O-])c1C ZINC001169029779 811343718 /nfs/dbraw/zinc/34/37/18/811343718.db2.gz XQAKCXJKQLSLGR-UHFFFAOYSA-N 0 1 274.324 2.473 20 5 CEBDMN COc1ccc(C[C@@H](C)N(C)C2(C)COC2)c([N+](=O)[O-])c1 ZINC001170352633 812391938 /nfs/dbraw/zinc/39/19/38/812391938.db2.gz OYVNGBIXAXSVOT-LLVKDONJSA-N 0 1 294.351 2.255 20 5 CEBDMN NCc1nccn1[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172895186 815543151 /nfs/dbraw/zinc/54/31/51/815543151.db2.gz ALZXJHPGDQYFLF-ZDUSSCGKSA-N 0 1 286.335 2.370 20 5 CEBDMN CCc1cc(CNc2ncnc3cccc([N+](=O)[O-])c32)n[nH]1 ZINC000754034299 814112642 /nfs/dbraw/zinc/11/26/42/814112642.db2.gz CTNXTADXBDIHKE-UHFFFAOYSA-N 0 1 298.306 2.436 20 5 CEBDMN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CCOC2(CC2)C1 ZINC001173231603 815632786 /nfs/dbraw/zinc/63/27/86/815632786.db2.gz NCHURMQMTYCGIF-LBPRGKRZSA-N 0 1 276.336 2.391 20 5 CEBDMN O=C(Oc1cccc2c1OCCC2)c1ccc([N+](=O)[O-])[nH]1 ZINC001143185777 816802026 /nfs/dbraw/zinc/80/20/26/816802026.db2.gz IXRVTKNOKGDVNF-UHFFFAOYSA-N 0 1 288.259 2.467 20 5 CEBDMN CC[C@H](N[C@H](C)C(=O)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000036794139 361858376 /nfs/dbraw/zinc/85/83/76/361858376.db2.gz HXZLPIRWDGSRRD-MFKMUULPSA-N 0 1 279.340 2.112 20 5 CEBDMN Cc1cc([N+](=O)[O-])ccc1-n1[nH]c2c(c1=O)CSCC2 ZINC000601942211 346935458 /nfs/dbraw/zinc/93/54/58/346935458.db2.gz IAKPJHCIJYVGGA-SNVBAGLBSA-N 0 1 291.332 2.359 20 5 CEBDMN C[C@H](c1ccccc1)[C@H](C)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000127321702 365741097 /nfs/dbraw/zinc/74/10/97/365741097.db2.gz LPPCACXTPQIQAK-UWVGGRQHSA-N 0 1 288.307 2.240 20 5 CEBDMN C[N@H+]1CCC[C@@H](CNc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)C1 ZINC000044539388 343474371 /nfs/dbraw/zinc/47/43/71/343474371.db2.gz UQLYWXKDCHFJFN-JTQLQIEISA-N 0 1 293.323 2.047 20 5 CEBDMN Cc1c(C[N@H+]2C3CCC2(C(=O)[O-])CC3)cccc1[N+](=O)[O-] ZINC000601962061 346944731 /nfs/dbraw/zinc/94/47/31/346944731.db2.gz BEZMPSSKYFGKOF-UHFFFAOYSA-N 0 1 290.319 2.485 20 5 CEBDMN CCN1CCN(Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000127861853 365765010 /nfs/dbraw/zinc/76/50/10/365765010.db2.gz NMTZYAGMJWJLQW-UHFFFAOYSA-N 0 1 263.341 2.041 20 5 CEBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@H]1CCc1ccccc1 ZINC000055487900 343604585 /nfs/dbraw/zinc/60/45/85/343604585.db2.gz QUVRFCSFITWCKE-ZNMIVQPWSA-N 0 1 288.347 2.275 20 5 CEBDMN CC(=O)N(C)C1CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC000068576281 343769183 /nfs/dbraw/zinc/76/91/83/343769183.db2.gz MGMHMTJUDQTMJH-UHFFFAOYSA-N 0 1 291.351 2.038 20 5 CEBDMN O=[N+]([O-])c1ccc(N2CCC(c3nc[nH]n3)CC2)c(F)c1 ZINC000081036606 344036685 /nfs/dbraw/zinc/03/66/85/344036685.db2.gz CLVXEQJFTRKVPK-UHFFFAOYSA-N 0 1 291.286 2.236 20 5 CEBDMN CC(C)(O)CCN1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088605801 344112409 /nfs/dbraw/zinc/11/24/09/344112409.db2.gz WXIKTKOQGWFTPU-UHFFFAOYSA-N 0 1 264.325 2.114 20 5 CEBDMN COc1ccc([N+](=O)[O-])cc1CN1CCC[C@H]([C@H](C)O)C1 ZINC000089931745 344132138 /nfs/dbraw/zinc/13/21/38/344132138.db2.gz FBIMKYZHUUVKHH-RYUDHWBXSA-N 0 1 294.351 2.196 20 5 CEBDMN CCCN(C)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000049480563 362366528 /nfs/dbraw/zinc/36/65/28/362366528.db2.gz ZJFUUQOIWQPHMT-UHFFFAOYSA-N 0 1 265.313 2.184 20 5 CEBDMN CCOCCN1CCN(c2ccc([N+](=O)[O-])cc2C)CC1 ZINC000117195030 344288967 /nfs/dbraw/zinc/28/89/67/344288967.db2.gz HEGBETCIRHODCG-UHFFFAOYSA-N 0 1 293.367 2.062 20 5 CEBDMN C[C@@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)C1CCC1 ZINC000131063404 344356220 /nfs/dbraw/zinc/35/62/20/344356220.db2.gz XBYGFGRNDGRMNO-MRVPVSSYSA-N 0 1 288.307 2.390 20 5 CEBDMN C[C@H](CO)CN(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000121530230 344302978 /nfs/dbraw/zinc/30/29/78/344302978.db2.gz WQWXDOJXQRYVHF-NSHDSACASA-N 0 1 264.325 2.188 20 5 CEBDMN Cc1c(C[N@@H+]2CC[C@@H](C(=O)[O-])[C@H]2C)cccc1[N+](=O)[O-] ZINC000227576550 344554871 /nfs/dbraw/zinc/55/48/71/344554871.db2.gz AAJOFNXWAKZYNV-ZYHUDNBSSA-N 0 1 278.308 2.198 20 5 CEBDMN COc1ccc(CN2CCC[C@@H](CCO)C2)cc1[N+](=O)[O-] ZINC000051916653 362449182 /nfs/dbraw/zinc/44/91/82/362449182.db2.gz VPSFZIKBTPDJJL-LBPRGKRZSA-N 0 1 294.351 2.198 20 5 CEBDMN C[C@H]1C[N@@H+](Cc2csc([N+](=O)[O-])c2)CC[C@H]1C(=O)[O-] ZINC000388861583 344834451 /nfs/dbraw/zinc/83/44/51/344834451.db2.gz FYPGJUJLPRAHJL-WCBMZHEXSA-N 0 1 284.337 2.199 20 5 CEBDMN CCN1CCC[C@H](Nc2ncc([N+](=O)[O-])cc2F)C1 ZINC000591141920 345224552 /nfs/dbraw/zinc/22/45/52/345224552.db2.gz QHQIRTBWJRWBIN-VIFPVBQESA-N 0 1 268.292 2.025 20 5 CEBDMN C[C@@H]1CC[C@H](C(=O)[O-])[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000593290352 345462551 /nfs/dbraw/zinc/46/25/51/345462551.db2.gz GIPFYTGFNLAVGW-BXKDBHETSA-N 0 1 264.281 2.032 20 5 CEBDMN O=C([O-])CC[N@H+](Cc1cccc([N+](=O)[O-])c1)CC1CC1 ZINC000593745119 345531597 /nfs/dbraw/zinc/53/15/97/345531597.db2.gz XEBZTDQDHCCUCF-UHFFFAOYSA-N 0 1 278.308 2.282 20 5 CEBDMN COc1ccc([N+](=O)[O-])cc1CN[C@@H]1COC2(CCC2)C1 ZINC000595009123 345726279 /nfs/dbraw/zinc/72/62/79/345726279.db2.gz ACTHUXZUNUQKTJ-LBPRGKRZSA-N 0 1 292.335 2.405 20 5 CEBDMN Cc1noc(CN2CCC[C@]2(C)CCCO)c1[N+](=O)[O-] ZINC000595408092 345776149 /nfs/dbraw/zinc/77/61/49/345776149.db2.gz MCIOWLXNZBLTIX-CYBMUJFWSA-N 0 1 283.328 2.018 20 5 CEBDMN Cc1noc(CN[C@@H](C(C)C)[C@H](CO)C(C)C)c1[N+](=O)[O-] ZINC000595523139 345803335 /nfs/dbraw/zinc/80/33/35/345803335.db2.gz IKZAVLIAGOFYEN-YPMHNXCESA-N 0 1 299.371 2.270 20 5 CEBDMN O=[N+]([O-])c1ccc([O-])cc1C[N@@H+]1CCC[C@@](O)(C2CC2)C1 ZINC000595752354 345866887 /nfs/dbraw/zinc/86/68/87/345866887.db2.gz XSFJIRWTWOGHRQ-HNNXBMFYSA-N 0 1 292.335 2.037 20 5 CEBDMN C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2F)C[C@]1(C)CO ZINC000595871963 345903008 /nfs/dbraw/zinc/90/30/08/345903008.db2.gz JEWNRYJPBLGZLI-QMTHXVAHSA-N 0 1 282.315 2.184 20 5 CEBDMN Cc1cc(NC[C@@H](C)N2CCN(C)CC2)c([N+](=O)[O-])s1 ZINC000596104747 345940866 /nfs/dbraw/zinc/94/08/66/345940866.db2.gz MUFRHLDXMXCIRP-SNVBAGLBSA-N 0 1 298.412 2.013 20 5 CEBDMN Cc1cc(N2CC[C@@H](N3CC=CC3)C2)c([N+](=O)[O-])s1 ZINC000596143169 345950539 /nfs/dbraw/zinc/95/05/39/345950539.db2.gz ZCQGUOCDNBJIMI-LLVKDONJSA-N 0 1 279.365 2.415 20 5 CEBDMN COCc1nc(CNc2c(Cl)cccc2[N+](=O)[O-])n[nH]1 ZINC000596436594 346023956 /nfs/dbraw/zinc/02/39/56/346023956.db2.gz PUHXSTHWTKHTFH-UHFFFAOYSA-N 0 1 297.702 2.125 20 5 CEBDMN COCc1nnc(CNc2c(Cl)cccc2[N+](=O)[O-])[nH]1 ZINC000596436594 346023957 /nfs/dbraw/zinc/02/39/57/346023957.db2.gz PUHXSTHWTKHTFH-UHFFFAOYSA-N 0 1 297.702 2.125 20 5 CEBDMN O=[N+]([O-])c1ccc(OCCSCc2c[nH]nn2)cc1 ZINC000600571425 346656006 /nfs/dbraw/zinc/65/60/06/346656006.db2.gz UXVVOHYQUBJWGZ-UHFFFAOYSA-N 0 1 280.309 2.025 20 5 CEBDMN O=[N+]([O-])c1ccc2oc(CN[C@@H]3C[C@H]4CC[C@@H]3O4)nc2c1 ZINC000602699198 347155528 /nfs/dbraw/zinc/15/55/28/347155528.db2.gz NCULQSKQSYJCJQ-FOGDFJRCSA-N 0 1 289.291 2.146 20 5 CEBDMN CC(C)[C@@H](CC(F)(F)F)NCc1cn(C)nc1[N+](=O)[O-] ZINC000602818771 347212911 /nfs/dbraw/zinc/21/29/11/347212911.db2.gz WVUCNRPUMJENST-SECBINFHSA-N 0 1 294.277 2.395 20 5 CEBDMN CCN1C[C@@H](C)N(c2ncc(C)cc2[N+](=O)[O-])C[C@H]1C ZINC000611222050 347753334 /nfs/dbraw/zinc/75/33/34/347753334.db2.gz SDCODHVATUZIRE-VXGBXAGGSA-N 0 1 278.356 2.217 20 5 CEBDMN CCN(CC)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611249347 347758479 /nfs/dbraw/zinc/75/84/79/347758479.db2.gz RRIPTQQSEIXZLT-UHFFFAOYSA-N 0 1 266.297 2.208 20 5 CEBDMN Cc1ncc([N+](=O)[O-])cc1-c1nc([C@H](N)CC(C)C)no1 ZINC000339388291 215139162 /nfs/dbraw/zinc/13/91/62/215139162.db2.gz VADSWRNUKIOQFX-LLVKDONJSA-N 0 1 291.311 2.394 20 5 CEBDMN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CC[C@@H](n2cncn2)C1 ZINC000614418888 348197720 /nfs/dbraw/zinc/19/77/20/348197720.db2.gz DMHGACPLJPXHJB-SMDDNHRTSA-N 0 1 287.323 2.194 20 5 CEBDMN CC(C)[C@@H]1CN(c2ccc([N+](=O)[O-])s2)CCN1C ZINC000616999927 348604502 /nfs/dbraw/zinc/60/45/02/348604502.db2.gz MNALRAFJPWIDLT-JTQLQIEISA-N 0 1 269.370 2.433 20 5 CEBDMN CC(C)[C@@H](C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)N(C)C ZINC000352178404 219346929 /nfs/dbraw/zinc/34/69/29/219346929.db2.gz MQQRDBDLFIDUCG-LBPRGKRZSA-N 0 1 283.303 2.259 20 5 CEBDMN C[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1C(=O)[O-] ZINC000111255429 186379486 /nfs/dbraw/zinc/37/94/86/186379486.db2.gz OHSXOPFCMJVUSP-KWQFWETISA-N 0 1 298.726 2.401 20 5 CEBDMN Cc1ccc(CN[C@H](CO)CC(F)(F)F)cc1[N+](=O)[O-] ZINC000339794105 215341829 /nfs/dbraw/zinc/34/18/29/215341829.db2.gz JSJHYPRTAVXHKP-JTQLQIEISA-N 0 1 292.257 2.306 20 5 CEBDMN CCC(CC)NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000123652214 187103167 /nfs/dbraw/zinc/10/31/67/187103167.db2.gz COKHWVHPBIFGLF-UHFFFAOYSA-N 0 1 290.316 2.201 20 5 CEBDMN CCN(CC)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000072557627 363144801 /nfs/dbraw/zinc/14/48/01/363144801.db2.gz BCEFGRXBRNCOAN-CYBMUJFWSA-N 0 1 277.324 2.042 20 5 CEBDMN CCN(CC)C(=O)CN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000134823704 187774321 /nfs/dbraw/zinc/77/43/21/187774321.db2.gz SEURGLHRYOVGES-NSHDSACASA-N 0 1 279.340 2.114 20 5 CEBDMN CC[C@H]1CCN1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000292125281 198173018 /nfs/dbraw/zinc/17/30/18/198173018.db2.gz AWJMGGKTMGUJCW-AAEUAGOBSA-N 0 1 250.298 2.113 20 5 CEBDMN COC(=O)N1CC(N[C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000495626762 291057002 /nfs/dbraw/zinc/05/70/02/291057002.db2.gz QYMTWNLEDRWTNG-SNVBAGLBSA-N 0 1 293.323 2.004 20 5 CEBDMN Cc1[nH]nc(C(=O)N2CC(C)(C)[C@@H]3CCC[C@@H]32)c1[N+](=O)[O-] ZINC000294583419 199096237 /nfs/dbraw/zinc/09/62/37/199096237.db2.gz FOCKGVOAFDQTAA-ZJUUUORDSA-N 0 1 292.339 2.277 20 5 CEBDMN COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@]1(C)C(=O)[O-] ZINC000079489034 363608940 /nfs/dbraw/zinc/60/89/40/363608940.db2.gz OOYHNQLMSNEATR-AWEZNQCLSA-N 0 1 294.307 2.043 20 5 CEBDMN COc1cccc(NCc2n[nH]c(C(C)C)n2)c1[N+](=O)[O-] ZINC000294917987 199246714 /nfs/dbraw/zinc/24/67/14/199246714.db2.gz IYSAKHHITIEJQM-UHFFFAOYSA-N 0 1 291.311 2.457 20 5 CEBDMN O=[N+]([O-])c1ccc([O-])cc1C[N@H+]1CC[C@H]([C@H]2CCOC2)C1 ZINC000339050187 366630470 /nfs/dbraw/zinc/63/04/70/366630470.db2.gz FVTBMLXENPDABB-RYUDHWBXSA-N 0 1 292.335 2.159 20 5 CEBDMN Cc1ccc([C@@H](C)NC[C@@H](O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000151220507 366630621 /nfs/dbraw/zinc/63/06/21/366630621.db2.gz OUDJSICTZXCZRV-LDYMZIIASA-N 0 1 292.257 2.477 20 5 CEBDMN C[C@@H](NCc1cc(O)ccc1[N+](=O)[O-])c1ccon1 ZINC000339089447 366648313 /nfs/dbraw/zinc/64/83/13/366648313.db2.gz PVHZFEAROIJQRC-MRVPVSSYSA-N 0 1 263.253 2.139 20 5 CEBDMN COc1cc(CN2CCC[C@]23CCOC3)ccc1[N+](=O)[O-] ZINC000341930055 216157599 /nfs/dbraw/zinc/15/75/99/216157599.db2.gz BMGWLEGDKBFONH-OAHLLOKOSA-N 0 1 292.335 2.358 20 5 CEBDMN COc1cc(CN[C@@H]2C[C@H]2C(F)F)c([N+](=O)[O-])cc1O ZINC000342218532 216265386 /nfs/dbraw/zinc/26/53/86/216265386.db2.gz IPZCOZXMQIKJQL-HTQZYQBOSA-N 0 1 288.250 2.052 20 5 CEBDMN Cc1ccc([N+](=O)[O-])c(NCCCc2nc[nH]n2)c1 ZINC000094659722 364287361 /nfs/dbraw/zinc/28/73/61/364287361.db2.gz BQDBUXMWLWTZPG-UHFFFAOYSA-N 0 1 261.285 2.066 20 5 CEBDMN C[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])c1ccc(F)cc1F ZINC000158941521 366862793 /nfs/dbraw/zinc/86/27/93/366862793.db2.gz CLLWSFDDVOWEKD-LURJTMIESA-N 0 1 296.233 2.087 20 5 CEBDMN Cc1c(NC(=O)[C@@H](C)Cc2cnc[nH]2)cccc1[N+](=O)[O-] ZINC000582070885 366859659 /nfs/dbraw/zinc/85/96/59/366859659.db2.gz ANLXVPBNHUNYMU-VIFPVBQESA-N 0 1 288.307 2.444 20 5 CEBDMN CCN1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000116268985 365047929 /nfs/dbraw/zinc/04/79/29/365047929.db2.gz SCHBWVGSUSWFLV-UHFFFAOYSA-N 0 1 283.759 2.386 20 5 CEBDMN Cc1cccc(CCN2CCc3ncc([N+](=O)[O-])cc3C2)n1 ZINC000582902757 366974753 /nfs/dbraw/zinc/97/47/53/366974753.db2.gz SYERFEXTRTXJIT-UHFFFAOYSA-N 0 1 298.346 2.294 20 5 CEBDMN C[C@@H](NCC(=O)NC1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000173407295 367908172 /nfs/dbraw/zinc/90/81/72/367908172.db2.gz ZINVNKRLNBYPMO-LLVKDONJSA-N 0 1 291.351 2.304 20 5 CEBDMN C[C@@H](CC(F)(F)F)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000345480173 368292090 /nfs/dbraw/zinc/29/20/90/368292090.db2.gz IADCRBZJNVLPBI-LURJTMIESA-N 0 1 292.213 2.371 20 5 CEBDMN CCN1C[C@@H](C)N(C(=O)c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000345967345 368500662 /nfs/dbraw/zinc/50/06/62/368500662.db2.gz SBGXYGIHAAOUQJ-VXGBXAGGSA-N 0 1 291.351 2.150 20 5 CEBDMN Cc1noc(C)c1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000346654570 368754569 /nfs/dbraw/zinc/75/45/69/368754569.db2.gz MSYSQAKVLSBDOZ-UHFFFAOYSA-N 0 1 297.292 2.000 20 5 CEBDMN COCC1=CCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000185892569 368882549 /nfs/dbraw/zinc/88/25/49/368882549.db2.gz NPHBFJYELILKQS-UHFFFAOYSA-N 0 1 292.335 2.252 20 5 CEBDMN COCC1=CCN(CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000185892272 368882578 /nfs/dbraw/zinc/88/25/78/368882578.db2.gz LKDVQVFRTDGDTP-UHFFFAOYSA-N 0 1 292.335 2.252 20 5 CEBDMN CCc1[nH]nc(C(=O)N2CCCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000186244597 368944595 /nfs/dbraw/zinc/94/45/95/368944595.db2.gz BUCUWVJLAKSTBM-SECBINFHSA-N 0 1 280.328 2.143 20 5 CEBDMN CCN(C)C(=O)[C@@H](C)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000188478768 369362267 /nfs/dbraw/zinc/36/22/67/369362267.db2.gz VPIWQBJTTPBFHC-GHMZBOCLSA-N 0 1 279.340 2.112 20 5 CEBDMN CCCNC(=O)CN[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192608642 369834008 /nfs/dbraw/zinc/83/40/08/369834008.db2.gz TYSMHXRPHHWRBW-AWEZNQCLSA-N 0 1 291.351 2.088 20 5 CEBDMN CCc1[nH]nc(C(=O)N2CCC[C@@H](C)[C@H]2C)c1[N+](=O)[O-] ZINC000192619433 369835467 /nfs/dbraw/zinc/83/54/67/369835467.db2.gz UPHMJVHSDILLGI-RKDXNWHRSA-N 0 1 280.328 2.141 20 5 CEBDMN CC(C)N(Cc1ccc([N+](=O)[O-])cc1F)C[C@@H](C)O ZINC000352691092 369838708 /nfs/dbraw/zinc/83/87/08/369838708.db2.gz IPWSUKBNBANOKO-SNVBAGLBSA-N 0 1 270.304 2.325 20 5 CEBDMN Cc1nc([C@@H](C)Nc2ncnc3cccc([N+](=O)[O-])c32)n[nH]1 ZINC000343995761 217008527 /nfs/dbraw/zinc/00/85/27/217008527.db2.gz ZTBBIUILVXEHRQ-SSDOTTSWSA-N 0 1 299.294 2.138 20 5 CEBDMN C[C@@H]1CCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)[C@@H]1C(=O)[O-] ZINC000235308197 370560826 /nfs/dbraw/zinc/56/08/26/370560826.db2.gz ZQKHGWXXZGJPRE-RISCZKNCSA-N 0 1 292.335 2.322 20 5 CEBDMN CCC[C@@H]1CNCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000359240734 371390916 /nfs/dbraw/zinc/39/09/16/371390916.db2.gz ONZCCMBVLNNCFL-CYBMUJFWSA-N 0 1 291.351 2.117 20 5 CEBDMN Cc1ccc2nc(CNc3ccncc3[N+](=O)[O-])[nH]c2c1 ZINC000360991031 371585420 /nfs/dbraw/zinc/58/54/20/371585420.db2.gz PYXMWMDBJRDKIR-UHFFFAOYSA-N 0 1 283.291 2.209 20 5 CEBDMN COc1cc([N+](=O)[O-])ccc1CN1CC[C@H](CO)C[C@@H]1C ZINC000344167677 217083405 /nfs/dbraw/zinc/08/34/05/217083405.db2.gz NQRAEFNENHOCDR-RYUDHWBXSA-N 0 1 294.351 2.196 20 5 CEBDMN C[C@H]1CN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C[C@@H]1C ZINC000267597065 372076082 /nfs/dbraw/zinc/07/60/82/372076082.db2.gz DXNHVPRQEPVQCJ-IUCAKERBSA-N 0 1 288.307 2.199 20 5 CEBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC12CCC2 ZINC000356639668 296183730 /nfs/dbraw/zinc/18/37/30/296183730.db2.gz YHYWJEZOQHNAOX-UHFFFAOYSA-N 0 1 262.265 2.069 20 5 CEBDMN CN(Cc1csc([N+](=O)[O-])c1)CC1(O)CCCC1 ZINC000269774965 372562670 /nfs/dbraw/zinc/56/26/70/372562670.db2.gz CXMQYZRRBSHGRJ-UHFFFAOYSA-N 0 1 270.354 2.393 20 5 CEBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@@H]1Cc1ccc(F)cc1 ZINC000363082657 372625790 /nfs/dbraw/zinc/62/57/90/372625790.db2.gz ADFKGMPZTQZVOJ-MGPQQGTHSA-N 0 1 292.310 2.024 20 5 CEBDMN COCC1(O)CCN([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000270353694 372753487 /nfs/dbraw/zinc/75/34/87/372753487.db2.gz ILPHLDQTUYFBDG-LBPRGKRZSA-N 0 1 294.351 2.129 20 5 CEBDMN Cc1ccc(CNC[C@@](C)(O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000270554324 372842151 /nfs/dbraw/zinc/84/21/51/372842151.db2.gz NHZQONQQSIEPRT-LLVKDONJSA-N 0 1 292.257 2.306 20 5 CEBDMN CCOc1ccc([N+](=O)[O-])cc1CN1CC[C@H]([C@H](C)O)C1 ZINC000272654032 373602401 /nfs/dbraw/zinc/60/24/01/373602401.db2.gz ZYEREJDDZRIVHP-RYUDHWBXSA-N 0 1 294.351 2.196 20 5 CEBDMN CO[C@H](CNC(=O)c1cc(O)cc([N+](=O)[O-])c1)C(C)(C)C ZINC000272667551 373606432 /nfs/dbraw/zinc/60/64/32/373606432.db2.gz JLFWVJZPXIUKCH-GFCCVEGCSA-N 0 1 296.323 2.091 20 5 CEBDMN Cc1c(CN[C@H](C)c2cn[nH]c2)cccc1[N+](=O)[O-] ZINC000274123071 373817889 /nfs/dbraw/zinc/81/78/89/373817889.db2.gz VJHYJSNHQDVKFL-SNVBAGLBSA-N 0 1 260.297 2.477 20 5 CEBDMN CCOc1cc(CN2CCC[C@@](C)(O)C2)ccc1[N+](=O)[O-] ZINC000276890480 374337161 /nfs/dbraw/zinc/33/71/61/374337161.db2.gz KAMWAGXPUYWGAO-OAHLLOKOSA-N 0 1 294.351 2.340 20 5 CEBDMN CC[C@@H](C)[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])C(F)(F)F ZINC000278155016 374736395 /nfs/dbraw/zinc/73/63/95/374736395.db2.gz OTTHXXLSQIEZIB-SVGQVSJJSA-N 0 1 294.233 2.025 20 5 CEBDMN CCC(=O)c1ccc(N[C@H](C)c2nnc[nH]2)c([N+](=O)[O-])c1 ZINC000280041810 375071141 /nfs/dbraw/zinc/07/11/41/375071141.db2.gz AWELWIYKFZEUJB-MRVPVSSYSA-N 0 1 289.295 2.479 20 5 CEBDMN CC(C)[N@@H+](C)C[C@H](C)Nc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000386512043 375260939 /nfs/dbraw/zinc/26/09/39/375260939.db2.gz CPLVJGHPTGFNEJ-JTQLQIEISA-N 0 1 295.339 2.434 20 5 CEBDMN Cc1c(Cc2nc(C3(N)CCC3)no2)cccc1[N+](=O)[O-] ZINC000414632278 375891552 /nfs/dbraw/zinc/89/15/52/375891552.db2.gz ZWMPMSWQRHMDRH-UHFFFAOYSA-N 0 1 288.307 2.215 20 5 CEBDMN Cc1nnc(CCNCc2csc([N+](=O)[O-])c2)s1 ZINC000289917567 376557207 /nfs/dbraw/zinc/55/72/07/376557207.db2.gz SEBUGGOXJMMNLT-UHFFFAOYSA-N 0 1 284.366 2.149 20 5 CEBDMN CC(C)C[C@H]1OCCC[C@@H]1NCc1c([N+](=O)[O-])ncn1C ZINC000331133933 377295581 /nfs/dbraw/zinc/29/55/81/377295581.db2.gz RHNSPNWJRPTUNS-WCQYABFASA-N 0 1 296.371 2.012 20 5 CEBDMN CCOc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H](O)CC1 ZINC000292978462 377378260 /nfs/dbraw/zinc/37/82/60/377378260.db2.gz BBXPLKIMLLPROR-CQSZACIVSA-N 0 1 294.351 2.340 20 5 CEBDMN C[N@H+](CCCC(=O)[O-])Cc1c(F)cccc1[N+](=O)[O-] ZINC000430667917 377539274 /nfs/dbraw/zinc/53/92/74/377539274.db2.gz GNWXNQAMDNYNJH-UHFFFAOYSA-N 0 1 270.260 2.031 20 5 CEBDMN C[N@@H+](CCCC(=O)[O-])Cc1c(F)cccc1[N+](=O)[O-] ZINC000430667917 377539280 /nfs/dbraw/zinc/53/92/80/377539280.db2.gz GNWXNQAMDNYNJH-UHFFFAOYSA-N 0 1 270.260 2.031 20 5 CEBDMN CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[C@H](CO)C1 ZINC000265807130 190208621 /nfs/dbraw/zinc/20/86/21/190208621.db2.gz IXNQRQZUQVCNRM-LBPRGKRZSA-N 0 1 294.351 2.196 20 5 CEBDMN CCc1[nH]nc(C(=O)N2CC[C@@](C)(CC)C2)c1[N+](=O)[O-] ZINC000332733102 377685961 /nfs/dbraw/zinc/68/59/61/377685961.db2.gz VACXPFZHVGBVDH-CYBMUJFWSA-N 0 1 280.328 2.143 20 5 CEBDMN CC[C@@H](C)[N@@H+](CC(=O)[O-])Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000566073169 377719907 /nfs/dbraw/zinc/71/99/07/377719907.db2.gz DMFCLZATDQXKKV-SNVBAGLBSA-N 0 1 296.323 2.289 20 5 CEBDMN C[C@H](CCc1ccccc1[N+](=O)[O-])NCc1ncccn1 ZINC000567488418 377828392 /nfs/dbraw/zinc/82/83/92/377828392.db2.gz RFXDAZIEHMWSPS-GFCCVEGCSA-N 0 1 286.335 2.496 20 5 CEBDMN Cc1[nH]nc(C(=O)N2CCCC3(CCCC3)C2)c1[N+](=O)[O-] ZINC000438681771 377911148 /nfs/dbraw/zinc/91/11/48/377911148.db2.gz RDDXCWGATGMZHB-UHFFFAOYSA-N 0 1 292.339 2.423 20 5 CEBDMN CN(Cc1ccc([N+](=O)[O-])c(F)c1)CC(C)(C)CO ZINC000295345693 378115174 /nfs/dbraw/zinc/11/51/74/378115174.db2.gz YDEWRHVPUBYAQK-UHFFFAOYSA-N 0 1 270.304 2.184 20 5 CEBDMN CCC[C@H](O)CN1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000450484081 378443865 /nfs/dbraw/zinc/44/38/65/378443865.db2.gz KLXFOQKNBDBPIO-AWEZNQCLSA-N 0 1 264.325 2.114 20 5 CEBDMN CCCN(CC)CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000299326973 378965184 /nfs/dbraw/zinc/96/51/84/378965184.db2.gz BDDIYNGWHZBKEE-UHFFFAOYSA-N 0 1 295.339 2.274 20 5 CEBDMN Cc1c(C[N@H+](C)[C@H](C)CC(=O)[O-])cccc1[N+](=O)[O-] ZINC000516665096 379304839 /nfs/dbraw/zinc/30/48/39/379304839.db2.gz UWZBYIQAHDAKMZ-SECBINFHSA-N 0 1 266.297 2.198 20 5 CEBDMN Cc1ccc(NC(=O)CN2CC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000520638162 379497966 /nfs/dbraw/zinc/49/79/66/379497966.db2.gz PYMUZULTBSBOOS-SNVBAGLBSA-N 0 1 277.324 2.184 20 5 CEBDMN O=C(CCNCc1ccco1)Nc1ccccc1[N+](=O)[O-] ZINC000548761448 380558463 /nfs/dbraw/zinc/55/84/63/380558463.db2.gz DKRUDWYRHSPDSO-UHFFFAOYSA-N 0 1 289.291 2.306 20 5 CEBDMN C[C@H](NC(=O)CN1CC[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000548826122 380568186 /nfs/dbraw/zinc/56/81/86/380568186.db2.gz WESIBVAYJRZIGF-NEPJUHHUSA-N 0 1 291.351 2.114 20 5 CEBDMN O=[N+]([O-])c1ccccc1N1CCN([C@H]2CCSC2)CC1 ZINC000372461122 285164012 /nfs/dbraw/zinc/16/40/12/285164012.db2.gz ZDIKDVOQJXNMOM-LBPRGKRZSA-N 0 1 293.392 2.222 20 5 CEBDMN Cc1ccc(CN2C[C@@H](O)CC[C@H]2C)cc1[N+](=O)[O-] ZINC000421370275 394514391 /nfs/dbraw/zinc/51/43/91/394514391.db2.gz IDLPRKODZNUAAI-YPMHNXCESA-N 0 1 264.325 2.248 20 5 CEBDMN Cc1[nH]nc(C(=O)N2C[C@H](C)C[C@@H](C)[C@@H]2C)c1[N+](=O)[O-] ZINC000356674705 394583807 /nfs/dbraw/zinc/58/38/07/394583807.db2.gz XXPORKKVWOUMDE-MRTMQBJTSA-N 0 1 280.328 2.133 20 5 CEBDMN CC[C@@H]1CC[C@H](C)N1Cc1c([N+](=O)[O-])ncn1C ZINC000332687716 394638937 /nfs/dbraw/zinc/63/89/37/394638937.db2.gz UTKXYUVCYKQJRR-VHSXEESVSA-N 0 1 252.318 2.091 20 5 CEBDMN Cc1ccc([C@@H]2CCCN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)cc1 ZINC000370801394 395014094 /nfs/dbraw/zinc/01/40/94/395014094.db2.gz KIJPIAFVNAIEBH-RBSFLKMASA-N 0 1 288.347 2.366 20 5 CEBDMN C[C@@H]1OCC[C@@]1(C)NCc1c(F)cccc1[N+](=O)[O-] ZINC000494238305 395102242 /nfs/dbraw/zinc/10/22/42/395102242.db2.gz PXVZHEGYQGGQCV-TVQRCGJNSA-N 0 1 268.288 2.391 20 5 CEBDMN CN1CC[C@@H]2CN(c3c(Cl)cccc3[N+](=O)[O-])C[C@@H]21 ZINC000450797610 395578028 /nfs/dbraw/zinc/57/80/28/395578028.db2.gz UIRNHQBMZNJHLP-SKDRFNHKSA-N 0 1 281.743 2.389 20 5 CEBDMN O=C(NCCCCc1ccccc1)c1n[nH]cc1[N+](=O)[O-] ZINC000611198794 400666581 /nfs/dbraw/zinc/66/65/81/400666581.db2.gz RHAWFMWSNNSGEQ-UHFFFAOYSA-N 0 1 288.307 2.071 20 5 CEBDMN Cc1ccc([C@@H]2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)c(C)c1 ZINC000373442020 292217871 /nfs/dbraw/zinc/21/78/71/292217871.db2.gz JDVQRHNJUKYSCF-BPLDGKMQSA-N 0 1 288.347 2.285 20 5 CEBDMN Cc1cc(NC(=O)N2CCCN(C)CC2)ccc1[N+](=O)[O-] ZINC000193525716 153235949 /nfs/dbraw/zinc/23/59/49/153235949.db2.gz VWSOWJGLKQAHNO-UHFFFAOYSA-N 0 1 292.339 2.073 20 5 CEBDMN C[C@H](Nc1ccc([N+](=O)[O-])c2cnccc12)c1nnc[nH]1 ZINC000219649224 153303665 /nfs/dbraw/zinc/30/36/65/153303665.db2.gz XZOPNIDVKTURLG-QMMMGPOBSA-N 0 1 284.279 2.434 20 5 CEBDMN O=C([O-])[C@H]1CCC[N@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000263406671 154078649 /nfs/dbraw/zinc/07/86/49/154078649.db2.gz KAOWZRWEGLVHCN-VUUYWXRKSA-N 0 1 276.292 2.157 20 5 CEBDMN C[C@@H]1C[C@H](c2ccccc2)CCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000366950860 156108078 /nfs/dbraw/zinc/10/80/78/156108078.db2.gz HJUYKPGHLKARRM-NMFUWQPSSA-N 0 1 288.347 2.446 20 5 CEBDMN Cn1cccc1[C@@H]1CCCCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000368762941 156398293 /nfs/dbraw/zinc/39/82/93/156398293.db2.gz YEQKNHLLUBWPSR-XBFCOCLRSA-N 0 1 291.351 2.134 20 5 CEBDMN CC(C)(C)[C@H](CO)NCc1c(F)cc([N+](=O)[O-])cc1F ZINC000285297317 196244534 /nfs/dbraw/zinc/24/45/34/196244534.db2.gz LRUFWQVTWSCTEO-LBPRGKRZSA-N 0 1 288.294 2.370 20 5 CEBDMN CCCNC(=O)[C@@H](C)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000036959535 270224565 /nfs/dbraw/zinc/22/45/65/270224565.db2.gz TXFXUMAHNOHRLH-WDEREUQCSA-N 0 1 279.340 2.160 20 5 CEBDMN CC[C@H](C)[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)CC(=O)[O-] ZINC000236970401 270318148 /nfs/dbraw/zinc/31/81/48/270318148.db2.gz JXTRRGGJXGUJKC-NSHDSACASA-N 0 1 296.323 2.159 20 5 CEBDMN C[C@@H]1CN(C/C=C\c2ccccc2[N+](=O)[O-])CC[C@@H]1O ZINC000428456882 271268324 /nfs/dbraw/zinc/26/83/24/271268324.db2.gz WFJMYKIVDPJDQM-BQUOTFMISA-N 0 1 276.336 2.311 20 5 CEBDMN COc1cc([N+](=O)[O-])ccc1CN1CCCC[C@@H]1CCO ZINC000430227951 271365178 /nfs/dbraw/zinc/36/51/78/271365178.db2.gz QTKJCBPNSVAHPK-CYBMUJFWSA-N 0 1 294.351 2.340 20 5 CEBDMN COC(=O)[C@H]1CC[C@@H](NCc2ccc([N+](=O)[O-])cc2F)C1 ZINC000435290531 271625305 /nfs/dbraw/zinc/62/53/05/271625305.db2.gz RAQHEACKSZNLOH-GXSJLCMTSA-N 0 1 296.298 2.165 20 5 CEBDMN CCC[C@H]1CNCCN1C(=O)c1cc([N+](=O)[O-])ccc1C ZINC000359200102 273622983 /nfs/dbraw/zinc/62/29/83/273622983.db2.gz AEIQGBBFFYBUEB-ZDUSSCGKSA-N 0 1 291.351 2.117 20 5 CEBDMN CC[C@H](N[C@@H](C)C(=O)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000036794137 288057390 /nfs/dbraw/zinc/05/73/90/288057390.db2.gz HXZLPIRWDGSRRD-GWCFXTLKSA-N 0 1 279.340 2.112 20 5 CEBDMN C[C@@H](Nc1c(F)cc([N+](=O)[O-])cc1F)c1nnc[nH]1 ZINC000226500353 280215268 /nfs/dbraw/zinc/21/52/68/280215268.db2.gz AVWDLKFKOFCLLZ-RXMQYKEDSA-N 0 1 269.211 2.164 20 5 CEBDMN O=[N+]([O-])c1ccc(O)cc1CN1CCC(F)(F)C1 ZINC000339077365 280368918 /nfs/dbraw/zinc/36/89/18/280368918.db2.gz PZCATPDPWJZMEN-UHFFFAOYSA-N 0 1 258.224 2.141 20 5 CEBDMN Cc1ccc([N+](=O)[O-])c(N2CCN(C)[C@@H](C)[C@@H]2C)c1 ZINC000356794845 281012231 /nfs/dbraw/zinc/01/22/31/281012231.db2.gz NNJAROJZOVIYIA-RYUDHWBXSA-N 0 1 263.341 2.432 20 5 CEBDMN O=C(NC[C@@H]1C[C@H]1C1CC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000456891332 289688140 /nfs/dbraw/zinc/68/81/40/289688140.db2.gz YPVNEIXXBBKZAJ-GWCFXTLKSA-N 0 1 276.292 2.076 20 5 CEBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCCCCO1 ZINC000530364505 298066458 /nfs/dbraw/zinc/06/64/58/298066458.db2.gz OLRDLHAHHAAZCJ-UHFFFAOYSA-N 0 1 290.279 2.029 20 5 CEBDMN C[C@@H]1CN2CCCC[C@@H]2CN1c1ncc([N+](=O)[O-])cc1F ZINC000571293224 314082972 /nfs/dbraw/zinc/08/29/72/314082972.db2.gz LVVSGLUOHHOIPM-GHMZBOCLSA-N 0 1 294.330 2.192 20 5 CEBDMN CCCNC(=O)CCNCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000050444012 519872536 /nfs/dbraw/zinc/87/25/36/519872536.db2.gz SEILUABYPKVLOH-UHFFFAOYSA-N 0 1 299.758 2.254 20 5 CEBDMN CC(C)N(C)C(=O)CN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000411464276 528799195 /nfs/dbraw/zinc/79/91/95/528799195.db2.gz XVELTOIYLITXES-NSHDSACASA-N 0 1 279.340 2.112 20 5 CEBDMN CC[C@@H](C)N1CCN(c2ncc([N+](=O)[O-])cc2F)CC1 ZINC000413310399 529356539 /nfs/dbraw/zinc/35/65/39/529356539.db2.gz CPOBATTVNORAKF-SNVBAGLBSA-N 0 1 282.319 2.049 20 5 CEBDMN CCc1[nH]nc(C(=O)N2CCC[C@H]2C2CCC2)c1[N+](=O)[O-] ZINC000192514028 535999740 /nfs/dbraw/zinc/99/97/40/535999740.db2.gz ZJCQFTQIJJNDBW-NSHDSACASA-N 0 1 292.339 2.285 20 5 CEBDMN CN(C)[C@@H](CNc1ncc([N+](=O)[O-])s1)c1ccco1 ZINC000190301937 536132603 /nfs/dbraw/zinc/13/26/03/536132603.db2.gz ZZFPZQGVLYRBCT-QMMMGPOBSA-N 0 1 282.325 2.359 20 5 CEBDMN CCc1cc(CNC(=O)Nc2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000732821419 574632541 /nfs/dbraw/zinc/63/25/41/574632541.db2.gz CPUJOPNUYFYAEZ-UHFFFAOYSA-N 0 1 289.295 2.202 20 5 CEBDMN O=C([O-])[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000062133365 597720202 /nfs/dbraw/zinc/72/02/02/597720202.db2.gz SRGBMFPIVDWEMR-VIFPVBQESA-N 0 1 284.699 2.155 20 5 CEBDMN C[C@H]1C[NH+](Cc2ccc([N+](=O)[O-])cc2)C[C@H](C)N1C(=O)[O-] ZINC000220638707 602832167 /nfs/dbraw/zinc/83/21/67/602832167.db2.gz NWUGJRNZTZQKDA-QWRGUYRKSA-N 0 1 293.323 2.167 20 5 CEBDMN C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)CCCNC(=O)[O-] ZINC000825639586 603562994 /nfs/dbraw/zinc/56/29/94/603562994.db2.gz UGURRAQWVZFCKO-SNVBAGLBSA-N 0 1 281.312 2.245 20 5 CEBDMN O=[N+]([O-])c1ccccc1CNCCO[C@@H]1CCCCO1 ZINC000813332803 623155771 /nfs/dbraw/zinc/15/57/71/623155771.db2.gz DMGICHOJOYLTEG-CQSZACIVSA-N 0 1 280.324 2.228 20 5 CEBDMN COC(=O)C[C@@H](NCc1cccnc1[N+](=O)[O-])C(C)(C)C ZINC000934035619 624180983 /nfs/dbraw/zinc/18/09/83/624180983.db2.gz AOKOJCKGAVEYAR-LLVKDONJSA-N 0 1 295.339 2.057 20 5 CEBDMN C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+](C)[C@H](C)C(=O)[O-] ZINC000901979598 634403050 /nfs/dbraw/zinc/40/30/50/634403050.db2.gz CSUKFWFMCGPVLY-PFEDMVJOSA-N 0 1 278.308 2.403 20 5 CEBDMN COC(CCN(C)Cc1ccccc1[N+](=O)[O-])OC ZINC000851715275 627708422 /nfs/dbraw/zinc/70/84/22/627708422.db2.gz OYSRPCZLSIOQBF-UHFFFAOYSA-N 0 1 268.313 2.036 20 5 CEBDMN O=C(Nc1c2c(cc3c1CCC3)CCC2)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000840464398 634690432 /nfs/dbraw/zinc/69/04/32/634690432.db2.gz UZGNSEZSABSZLT-ZIAGYGMSSA-N 0 1 286.331 2.268 20 5 CEBDMN O=C(Oc1c(F)cccc1Cl)[C@@H]1CC1[N+](=O)[O-] ZINC000841166027 629228628 /nfs/dbraw/zinc/22/86/28/629228628.db2.gz JJEUEVTZWMMWJK-SVGQVSJJSA-N 0 1 259.620 2.050 20 5 CEBDMN COc1ccccc1CC1CCN(CC[N+](=O)[O-])CC1 ZINC000791052419 629239791 /nfs/dbraw/zinc/23/97/91/629239791.db2.gz NMWKVKVRYMGUHF-UHFFFAOYSA-N 0 1 278.352 2.226 20 5 CEBDMN CCCCc1nc(COC(=O)[C@@H]2CC2[N+](=O)[O-])cs1 ZINC000840670616 629290904 /nfs/dbraw/zinc/29/09/04/629290904.db2.gz JUSZISIODDDWBL-NXEZZACHSA-N 0 1 284.337 2.194 20 5 CEBDMN CS[C@@H](C)[C@@H](C)OC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000797208912 630175466 /nfs/dbraw/zinc/17/54/66/630175466.db2.gz KRGXSZGSTHNRCX-RQJHMYQMSA-N 0 1 258.299 2.220 20 5 CEBDMN CN1CC[C@H]1CNc1nc2ccccc2cc1[N+](=O)[O-] ZINC000895769335 630337865 /nfs/dbraw/zinc/33/78/65/630337865.db2.gz BMYDCIVFUVMIHD-NSHDSACASA-N 0 1 272.308 2.259 20 5 CEBDMN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCCN(C)C2)c1C ZINC000895833689 630371031 /nfs/dbraw/zinc/37/10/31/630371031.db2.gz CSHWUGAIVAYULX-GFCCVEGCSA-N 0 1 291.351 2.036 20 5 CEBDMN Cc1nc([C@H](C)OC(=O)c2cc(C)cc([N+](=O)[O-])c2)n[nH]1 ZINC000840225316 632346253 /nfs/dbraw/zinc/34/62/53/632346253.db2.gz LVGDYPGZORMVRA-QMMMGPOBSA-N 0 1 290.279 2.248 20 5 CEBDMN Cc1nc([C@H](C)OC(=O)c2cc(F)cc([N+](=O)[O-])c2)n[nH]1 ZINC000840228573 632358967 /nfs/dbraw/zinc/35/89/67/632358967.db2.gz QHDXAJDWRRIZJR-LURJTMIESA-N 0 1 294.242 2.078 20 5 CEBDMN O=[N+]([O-])c1cc(CN[C@H]2Cc3ccccc3[C@@H]2O)cs1 ZINC000898393618 632475340 /nfs/dbraw/zinc/47/53/40/632475340.db2.gz SGJMMTGSZKQUTR-JSGCOSHPSA-N 0 1 290.344 2.404 20 5 CEBDMN COc1ccc(CNC/C=C\Cl)cc1[N+](=O)[O-] ZINC000898434808 632495872 /nfs/dbraw/zinc/49/58/72/632495872.db2.gz AANCUMWBJSACSD-DJWKRKHSSA-N 0 1 256.689 2.446 20 5 CEBDMN CCN(C[C@@H](C)OC)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000812301505 632505839 /nfs/dbraw/zinc/50/58/39/632505839.db2.gz ILXIWENFCAAVQL-LLVKDONJSA-N 0 1 292.339 2.259 20 5 CEBDMN O=C([C@@H]1CC1[N+](=O)[O-])N(C1CC1)[C@@H]1CCc2ccccc21 ZINC000840295395 632730488 /nfs/dbraw/zinc/73/04/88/632730488.db2.gz WUQAOBLMOOFXGX-RBSFLKMASA-N 0 1 286.331 2.330 20 5 CEBDMN C[C@@H](NC[C@@H](C)c1ccccc1[N+](=O)[O-])c1cn(C)nn1 ZINC000903245418 635026283 /nfs/dbraw/zinc/02/62/83/635026283.db2.gz LYPRPNUBQSQHAE-GHMZBOCLSA-N 0 1 289.339 2.178 20 5 CEBDMN CC(C)(NC(=O)CN1CCCC1)c1ccccc1[N+](=O)[O-] ZINC000823117190 635072727 /nfs/dbraw/zinc/07/27/27/635072727.db2.gz MVIGHBLZHUHWFM-UHFFFAOYSA-N 0 1 291.351 2.042 20 5 CEBDMN O=[N+]([O-])CCNCCOc1ccc(Cl)c(Cl)c1 ZINC000905273794 636201004 /nfs/dbraw/zinc/20/10/04/636201004.db2.gz NHLTZDUSMANWIM-UHFFFAOYSA-N 0 1 279.123 2.239 20 5 CEBDMN C[C@@H](O)C1(NCc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000827579761 636358476 /nfs/dbraw/zinc/35/84/76/636358476.db2.gz JUJRCISRABPGEX-MRVPVSSYSA-N 0 1 270.716 2.251 20 5 CEBDMN O=[N+]([O-])c1ccc([C@H]2CCCN(CC3OCCO3)C2)cc1 ZINC000831538396 637365765 /nfs/dbraw/zinc/36/57/65/637365765.db2.gz BXNXCWBYXUJFPY-ZDUSSCGKSA-N 0 1 292.335 2.147 20 5 CEBDMN CC(C)(O)CCCCOC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000835430130 638252317 /nfs/dbraw/zinc/25/23/17/638252317.db2.gz HDMJODFDXWMAMU-UHFFFAOYSA-N 0 1 270.285 2.021 20 5 CEBDMN CC[C@H](OC(=O)c1ccc([N+](=O)[O-])[nH]1)C(F)(F)F ZINC000835652511 638341101 /nfs/dbraw/zinc/34/11/01/638341101.db2.gz RRYGDBYPIDXROL-LURJTMIESA-N 0 1 266.175 2.421 20 5 CEBDMN CO[C@H]1C[C@@H](OC(=O)c2ccc([N+](=O)[O-])[nH]2)C12CCC2 ZINC000835884457 638443710 /nfs/dbraw/zinc/44/37/10/638443710.db2.gz OKBNBMGIDJZYRX-VHSXEESVSA-N 0 1 280.280 2.037 20 5 CEBDMN CC(C)[C@H](N)c1noc(-c2cc(F)cc([N+](=O)[O-])c2)n1 ZINC000166147467 639449821 /nfs/dbraw/zinc/44/98/21/639449821.db2.gz PHHLJZMMPOLXAI-JTQLQIEISA-N 0 1 280.259 2.440 20 5 CEBDMN CC[C@@H]1CCCC[C@@H]1OCCOC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000842340882 639655049 /nfs/dbraw/zinc/65/50/49/639655049.db2.gz UBKHYCGHFUCOBF-LPWJVIDDSA-N 0 1 285.340 2.180 20 5 CEBDMN O=C(Oc1cc(Cl)ccc1F)[C@@H]1CC1[N+](=O)[O-] ZINC000841123444 639685820 /nfs/dbraw/zinc/68/58/20/639685820.db2.gz DNQQLGPLGQYVHL-HTRCEHHLSA-N 0 1 259.620 2.050 20 5 CEBDMN CC[C@H](C)CN(C)Cn1nc(C)c([N+](=O)[O-])c1C ZINC000171890320 639736841 /nfs/dbraw/zinc/73/68/41/639736841.db2.gz AOCBXJNMZINJFG-VIFPVBQESA-N 0 1 254.334 2.344 20 5 CEBDMN C[C@H]1CCCN1Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000173527722 639864627 /nfs/dbraw/zinc/86/46/27/639864627.db2.gz FJKKDRBIVBMMHC-JTQLQIEISA-N 0 1 260.297 2.386 20 5 CEBDMN C[C@H](COC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1ccc(F)cc1 ZINC000842339460 640021323 /nfs/dbraw/zinc/02/13/23/640021323.db2.gz OANXZRMDWBGUMB-ZWKOPEQDSA-N 0 1 281.283 2.213 20 5 CEBDMN O=C(OCc1snc(Cl)c1Cl)[C@@H]1CC1[N+](=O)[O-] ZINC000842360249 640028293 /nfs/dbraw/zinc/02/82/93/640028293.db2.gz ZOBPDFSHTQJSEI-QWWZWVQMSA-N 0 1 297.119 2.158 20 5 CEBDMN C[C@@H]1CC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C[C@@H]1C(=O)[O-] ZINC000842937919 640225639 /nfs/dbraw/zinc/22/56/39/640225639.db2.gz SOGGZBMQCGHJQN-SKDRFNHKSA-N 0 1 296.298 2.277 20 5 CEBDMN CC[C@H](COC(=O)[C@@H]1CC1[N+](=O)[O-])CC(F)(F)F ZINC000842997587 640238583 /nfs/dbraw/zinc/23/85/83/640238583.db2.gz JPUMLSZTONOPHA-XLPZGREQSA-N 0 1 269.219 2.173 20 5 CEBDMN O=[N+]([O-])c1cnn(C[N@H+]2CCC[C@@H]2Cc2ccccc2)c1 ZINC000914566300 640436514 /nfs/dbraw/zinc/43/65/14/640436514.db2.gz WJXYUMWCBGHNLV-CQSZACIVSA-N 0 1 286.335 2.456 20 5 CEBDMN O=[N+]([O-])c1cnn(CN2CCC[C@@H]2Cc2ccccc2)c1 ZINC000914566300 640436515 /nfs/dbraw/zinc/43/65/15/640436515.db2.gz WJXYUMWCBGHNLV-CQSZACIVSA-N 0 1 286.335 2.456 20 5 CEBDMN Cc1nn(CN2CCC[C@@H]2C(C)C)c(C)c1[N+](=O)[O-] ZINC000920484914 641158584 /nfs/dbraw/zinc/15/85/84/641158584.db2.gz KETWRRTWFGYIQO-GFCCVEGCSA-N 0 1 266.345 2.486 20 5 CEBDMN CCc1nc([C@H](C)OC(=O)c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000849629441 642375475 /nfs/dbraw/zinc/37/54/75/642375475.db2.gz TWDAJYDTPXPBLT-QMMMGPOBSA-N 0 1 290.279 2.193 20 5 CEBDMN CO[C@@H](C(=O)OCc1cc(O)ccc1[N+](=O)[O-])C1CCC1 ZINC000850177906 642606685 /nfs/dbraw/zinc/60/66/85/642606685.db2.gz OCNAQNIVVFBYHX-CYBMUJFWSA-N 0 1 295.291 2.159 20 5 CEBDMN CN(Cc1cnc[nH]1)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000852285068 643378052 /nfs/dbraw/zinc/37/80/52/643378052.db2.gz YTBRMIUXUBETEV-UHFFFAOYSA-N 0 1 264.260 2.089 20 5 CEBDMN C[C@@H](C(=O)OCc1cc(O)ccc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000923056738 643541520 /nfs/dbraw/zinc/54/15/20/643541520.db2.gz CEAJVOOBKAXVFI-RNCFNFMXSA-N 0 1 295.291 2.159 20 5 CEBDMN CCO[C@@H]1[C@H](C)[C@@H]1C(=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000923450736 643720656 /nfs/dbraw/zinc/72/06/56/643720656.db2.gz ICHRWWVUCWFKLB-OXHMUOHRSA-N 0 1 295.291 2.015 20 5 CEBDMN CN(CC1CN(C)C1)c1nc2ccc([N+](=O)[O-])cc2s1 ZINC000853825019 643911304 /nfs/dbraw/zinc/91/13/04/643911304.db2.gz CEUVIYFXFVLJLS-UHFFFAOYSA-N 0 1 292.364 2.202 20 5 CEBDMN Cc1ccc(CN2C[C@@H](O)CC(C)(C)C2)cc1[N+](=O)[O-] ZINC000877751963 650895026 /nfs/dbraw/zinc/89/50/26/650895026.db2.gz ABNRISAKZAGQEB-ZDUSSCGKSA-N 0 1 278.352 2.496 20 5 CEBDMN CC[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccc(C)cc1 ZINC000839454896 644235516 /nfs/dbraw/zinc/23/55/16/644235516.db2.gz LUBPWLYABFDGMK-FRRDWIJNSA-N 0 1 262.309 2.228 20 5 CEBDMN O=C(N[C@@H]1CC[C@@H]2CCCC[C@H]2C1)[C@@H]1CC1[N+](=O)[O-] ZINC000839471454 644236420 /nfs/dbraw/zinc/23/64/20/644236420.db2.gz WFNBFYCDMMZCKL-KIJLLGNVSA-N 0 1 266.341 2.127 20 5 CEBDMN CC(C)c1ccc(CNC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC000839508992 644245429 /nfs/dbraw/zinc/24/54/29/644245429.db2.gz LDXDSRUFFIHPLD-CHWSQXEVSA-N 0 1 262.309 2.091 20 5 CEBDMN CC1(C)CN(C(=O)[C@@H]2CC2[N+](=O)[O-])CCc2ccccc21 ZINC000855350569 644313456 /nfs/dbraw/zinc/31/34/56/644313456.db2.gz UXYFREQXMNWPCM-TZMCWYRMSA-N 0 1 288.347 2.014 20 5 CEBDMN CC(C)CCC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000839703092 644776949 /nfs/dbraw/zinc/77/69/49/644776949.db2.gz FONMBVOYCIJRDS-CHWSQXEVSA-N 0 1 268.357 2.326 20 5 CEBDMN CCN(Cc1c[nH]c2ccccc12)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839734498 644785727 /nfs/dbraw/zinc/78/57/27/644785727.db2.gz RRMQNWCYJSOXMF-TZMCWYRMSA-N 0 1 287.319 2.182 20 5 CEBDMN O=C(Nc1ccc2c(cnn2C(F)F)c1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839707290 644787471 /nfs/dbraw/zinc/78/74/71/644787471.db2.gz BNFGJEBQGUEJPM-PSASIEDQSA-N 0 1 296.233 2.035 20 5 CEBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@@H]1/C=C\c1ccccc1 ZINC000839721820 644792663 /nfs/dbraw/zinc/79/26/63/644792663.db2.gz PUGTUBIPFNZLNI-RKNRVPRMSA-N 0 1 286.331 2.356 20 5 CEBDMN CC(C)[C@@H]1CCC[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000839729014 644794842 /nfs/dbraw/zinc/79/48/42/644794842.db2.gz UVIBQTLHQDGVCY-FDYHWXHSSA-N 0 1 268.357 2.373 20 5 CEBDMN C[C@@H]1C[C@@H](c2ccccc2)[C@H](C)N1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839781129 644815195 /nfs/dbraw/zinc/81/51/95/644815195.db2.gz JBHZUYHWNJFNKU-OBRUSBNWSA-N 0 1 288.347 2.445 20 5 CEBDMN C[C@H](c1ccccc1[N+](=O)[O-])N1CCN(C)[C@@H](C)C1 ZINC000761076959 645233154 /nfs/dbraw/zinc/23/31/54/645233154.db2.gz QKBDRECHZISNKW-NWDGAFQWSA-N 0 1 263.341 2.292 20 5 CEBDMN COCC[C@@]1(NCc2cc(F)ccc2[N+](=O)[O-])CCOC1 ZINC000773943206 646788596 /nfs/dbraw/zinc/78/85/96/646788596.db2.gz LWHCIKMOXFKJJV-CQSZACIVSA-N 0 1 298.314 2.019 20 5 CEBDMN CN(Cc1ccco1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776271635 647044987 /nfs/dbraw/zinc/04/49/87/647044987.db2.gz MONSUUDCMPLPDF-CQSZACIVSA-N 0 1 276.292 2.353 20 5 CEBDMN CC(C)(C)[C@H]1CCN(Cn2cc([N+](=O)[O-])cn2)C1 ZINC000784031686 647791455 /nfs/dbraw/zinc/79/14/55/647791455.db2.gz LTOLCSQZBLRLOR-JTQLQIEISA-N 0 1 252.318 2.117 20 5 CEBDMN CCCCCNC(=O)[C@@](C)(N)c1cccc([N+](=O)[O-])c1 ZINC000867942128 647995408 /nfs/dbraw/zinc/99/54/08/647995408.db2.gz MCXJRLSMISZUDK-AWEZNQCLSA-N 0 1 279.340 2.075 20 5 CEBDMN CCO[C@H]1C[C@H](N(C)CC[N+](=O)[O-])C12CCCCC2 ZINC000791052952 648476000 /nfs/dbraw/zinc/47/60/00/648476000.db2.gz PWNKMPRARSISIG-STQMWFEESA-N 0 1 270.373 2.323 20 5 CEBDMN Cc1ccc(CN2CCN(CCCF)CC2)cc1[N+](=O)[O-] ZINC000879060216 651236532 /nfs/dbraw/zinc/23/65/32/651236532.db2.gz AGIKYRICIYJRRL-UHFFFAOYSA-N 0 1 295.358 2.380 20 5 CEBDMN CCCCO[C@H]1C[C@H](N(C)C(=O)[C@@H]2CC2[N+](=O)[O-])C1(C)C ZINC001126918790 806808841 /nfs/dbraw/zinc/80/88/41/806808841.db2.gz KOZSHGXIUMGLCE-NDBYEHHHSA-N 0 1 298.383 2.094 20 5 CEBDMN CN1CCC[C@H](NC(=O)c2cccc([N+](=O)[O-])c2Cl)C1 ZINC000160404009 806870207 /nfs/dbraw/zinc/87/02/07/806870207.db2.gz CJDMYWKIRFSJON-VIFPVBQESA-N 0 1 297.742 2.072 20 5 CEBDMN COc1cc(Nc2ccc(F)cc2[N+](=O)[O-])no1 ZINC001210951346 802757131 /nfs/dbraw/zinc/75/71/31/802757131.db2.gz FBMQUPCSAPPTGW-UHFFFAOYSA-N 0 1 253.189 2.474 20 5 CEBDMN COC[C@H](C)OC[C@@H](C)Oc1cc(O)ccc1[N+](=O)[O-] ZINC001225490379 804885681 /nfs/dbraw/zinc/88/56/81/804885681.db2.gz HQLIYFFFKQMMGG-VHSXEESVSA-N 0 1 285.296 2.119 20 5 CEBDMN Cc1c(C)c([N+](=O)[O-])ccc1O[C@H]1CC[N@H+](C)C1 ZINC001229883536 809621711 /nfs/dbraw/zinc/62/17/11/809621711.db2.gz WCIWXYSUHYACJB-NSHDSACASA-N 0 1 250.298 2.295 20 5 CEBDMN O=[N+]([O-])[C@@H]1C[C@H]1c1nnc(CCCc2cccs2)o1 ZINC001118433035 810240407 /nfs/dbraw/zinc/24/04/07/810240407.db2.gz ZJBMWGIKTMAHCX-NXEZZACHSA-N 0 1 279.321 2.439 20 5 CEBDMN C[C@@H](NC(=O)[C@@](C)(N)c1cccc([N+](=O)[O-])c1)C1CCC1 ZINC001122367431 815405442 /nfs/dbraw/zinc/40/54/42/815405442.db2.gz BXVILNMFQQIKGL-BMIGLBTASA-N 0 1 291.351 2.074 20 5 CEBDMN CC1(CC(=O)NCCNCc2csc([N+](=O)[O-])c2)CC1 ZINC001131482244 812679045 /nfs/dbraw/zinc/67/90/45/812679045.db2.gz AESZHTVHILAKIM-UHFFFAOYSA-N 0 1 297.380 2.052 20 5 CEBDMN CC(C)N1CCN(c2ncc(F)cc2[N+](=O)[O-])C[C@@H]1C ZINC001158494755 812751633 /nfs/dbraw/zinc/75/16/33/812751633.db2.gz QBNQMVHZESALRZ-JTQLQIEISA-N 0 1 282.319 2.048 20 5 CEBDMN O=[N+]([O-])c1ccc(Cl)cc1NCCN1CCC1 ZINC000697901750 814654616 /nfs/dbraw/zinc/65/46/16/814654616.db2.gz BKJNZEILTSHDSM-UHFFFAOYSA-N 0 1 255.705 2.366 20 5 CEBDMN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1C[C@H](CO)C[C@H](F)C1 ZINC001173224364 815627222 /nfs/dbraw/zinc/62/72/22/815627222.db2.gz FFCWOBMQFXWXQT-BNOWGMLFSA-N 0 1 296.342 2.178 20 5 CEBDMN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)NCc1ncc(F)cn1 ZINC001173210808 815634981 /nfs/dbraw/zinc/63/49/81/815634981.db2.gz OBVKVRGGPJFORO-JTQLQIEISA-N 0 1 290.298 2.245 20 5 CEBDMN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)NCc1ncccn1 ZINC001173209821 815635207 /nfs/dbraw/zinc/63/52/07/815635207.db2.gz GIKREFVVOYRVRB-NSHDSACASA-N 0 1 272.308 2.106 20 5 CEBDMN Nc1cccc2[nH+]cn(-c3cc(C(=O)[O-])cc([N+](=O)[O-])c3)c21 ZINC001176677407 816454032 /nfs/dbraw/zinc/45/40/32/816454032.db2.gz VYARFPPCQMJDQE-UHFFFAOYSA-N 0 1 298.258 2.214 20 5 CEBDMN C[C@H](O)CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000124967111 187163485 /nfs/dbraw/zinc/16/34/85/187163485.db2.gz BDUIFFXBWBBYPT-VIFPVBQESA-N 0 1 293.348 2.189 20 5 CEBDMN CC[C@H](NCC(=O)NC(C)C)c1cccc([N+](=O)[O-])c1 ZINC000036781540 361857858 /nfs/dbraw/zinc/85/78/58/361857858.db2.gz BTFPEPIHCSCGHF-ZDUSSCGKSA-N 0 1 279.340 2.160 20 5 CEBDMN CCc1[nH]nc(C(=O)N2C[C@@H]3CCCC[C@H]3C2)c1[N+](=O)[O-] ZINC000176211038 529466613 /nfs/dbraw/zinc/46/66/13/529466613.db2.gz TWDSJJMDSSEBAX-UWVGGRQHSA-N 0 1 292.339 2.143 20 5 CEBDMN Cc1ccc([N+](=O)[O-])cc1-n1[nH]c2c(c1=O)CSCC2 ZINC000601936866 346933198 /nfs/dbraw/zinc/93/31/98/346933198.db2.gz WMBQKXLHGQTCKK-JTQLQIEISA-N 0 1 291.332 2.359 20 5 CEBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(C)CC(C)C ZINC000049442539 343537401 /nfs/dbraw/zinc/53/74/01/343537401.db2.gz MJNFOCRKFYWSQC-UHFFFAOYSA-N 0 1 279.340 2.430 20 5 CEBDMN Cc1c(CN(CC(N)=O)C2CCCC2)cccc1[N+](=O)[O-] ZINC000052826688 343565863 /nfs/dbraw/zinc/56/58/63/343565863.db2.gz WXLICBNWZZZPTE-UHFFFAOYSA-N 0 1 291.351 2.133 20 5 CEBDMN Cc1cc(NC[C@@H](C)CN2CCOCC2)ccc1[N+](=O)[O-] ZINC000077995522 343939110 /nfs/dbraw/zinc/93/91/10/343939110.db2.gz MZFVLSWSGFSDMB-GFCCVEGCSA-N 0 1 293.367 2.283 20 5 CEBDMN CCCCN(CCO)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000083168565 344075328 /nfs/dbraw/zinc/07/53/28/344075328.db2.gz GWPBZLGZPFCPDL-UHFFFAOYSA-N 0 1 293.323 2.330 20 5 CEBDMN COc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H]([C@@H](C)O)C1 ZINC000089931744 344132225 /nfs/dbraw/zinc/13/22/25/344132225.db2.gz FBIMKYZHUUVKHH-VXGBXAGGSA-N 0 1 294.351 2.196 20 5 CEBDMN CC[C@@H](O)[C@H]1CCCC[N@H+]1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000093321577 344219451 /nfs/dbraw/zinc/21/94/51/344219451.db2.gz ZIDPNTYQJQQZGX-HUUCEWRRSA-N 0 1 294.351 2.426 20 5 CEBDMN CC[C@@H](O)[C@@H]1CCCC[N@H+]1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000093321575 344219481 /nfs/dbraw/zinc/21/94/81/344219481.db2.gz ZIDPNTYQJQQZGX-LSDHHAIUSA-N 0 1 294.351 2.426 20 5 CEBDMN C[C@H]1C[N@@H+](Cc2cc([O-])ccc2[N+](=O)[O-])C[C@H]1C ZINC000093503307 344226340 /nfs/dbraw/zinc/22/63/40/344226340.db2.gz NZWUTQVZVJSDAP-AOOOYVTPSA-N 0 1 250.298 2.388 20 5 CEBDMN Cc1cccc(C2=CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)c1 ZINC000092518270 344193080 /nfs/dbraw/zinc/19/30/80/344193080.db2.gz LPKUZBXCAZOQMY-CABCVRRESA-N 0 1 286.331 2.276 20 5 CEBDMN O=[N+]([O-])c1ccc(CN[C@@H]2CCOC2)c(Cl)c1 ZINC000131483491 344358199 /nfs/dbraw/zinc/35/81/99/344358199.db2.gz YWIBZLRZOQKJGN-SECBINFHSA-N 0 1 256.689 2.127 20 5 CEBDMN O=[N+]([O-])c1ccc(CNCC2(CO)CC2)c(Cl)c1 ZINC000122399372 344306549 /nfs/dbraw/zinc/30/65/49/344306549.db2.gz QDCUXYWJMQUJBX-UHFFFAOYSA-N 0 1 270.716 2.110 20 5 CEBDMN COc1c(-c2nc([C@H]3CCCN3)no2)cccc1[N+](=O)[O-] ZINC000228560711 344561150 /nfs/dbraw/zinc/56/11/50/344561150.db2.gz XCNBYJJHZFFKQP-SECBINFHSA-N 0 1 290.279 2.078 20 5 CEBDMN COc1ccc(CN2CCCC[C@H]2CCO)cc1[N+](=O)[O-] ZINC000050104831 362400327 /nfs/dbraw/zinc/40/03/27/362400327.db2.gz ZKMIAIUZLAVIGA-ZDUSSCGKSA-N 0 1 294.351 2.340 20 5 CEBDMN O=[N+]([O-])c1ccc(CN2CCN(CCCF)CC2)c(F)c1 ZINC000402774808 344873747 /nfs/dbraw/zinc/87/37/47/344873747.db2.gz VHWJSCRQSKHMNG-UHFFFAOYSA-N 0 1 299.321 2.211 20 5 CEBDMN COC(=O)c1ccc([N+](=O)[O-])c(CN2C[C@@H](C)[C@H](C)C2)c1 ZINC000589502416 345084974 /nfs/dbraw/zinc/08/49/74/345084974.db2.gz SWNZDWCORMMGIH-GHMZBOCLSA-N 0 1 292.335 2.469 20 5 CEBDMN Cc1nc([C@H]2CCN(c3sccc3[N+](=O)[O-])C2)n[nH]1 ZINC000591197370 345229916 /nfs/dbraw/zinc/22/99/16/345229916.db2.gz JCXOSHQBSMUHNI-QMMMGPOBSA-N 0 1 279.325 2.077 20 5 CEBDMN Cc1nnc([C@H]2CCN(c3sccc3[N+](=O)[O-])C2)[nH]1 ZINC000591197370 345229918 /nfs/dbraw/zinc/22/99/18/345229918.db2.gz JCXOSHQBSMUHNI-QMMMGPOBSA-N 0 1 279.325 2.077 20 5 CEBDMN CC[C@@H]1OCC[C@H]1NCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000590973011 345208698 /nfs/dbraw/zinc/20/86/98/345208698.db2.gz RKETVZQOUVJOKN-PWSUYJOCSA-N 0 1 291.307 2.393 20 5 CEBDMN CC[N@@H+](Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-])C1CC1 ZINC000593735549 345529709 /nfs/dbraw/zinc/52/97/09/345529709.db2.gz ZKHIACIPFLHGIM-UHFFFAOYSA-N 0 1 264.281 2.277 20 5 CEBDMN O=[N+]([O-])c1cccc2c1CC[C@@H]2NC[C@@H](O)C(F)(F)F ZINC000594501416 345639185 /nfs/dbraw/zinc/63/91/85/345639185.db2.gz VPABRHPHRMNNMJ-GXSJLCMTSA-N 0 1 290.241 2.095 20 5 CEBDMN COC[C@H](CN(Cc1ccccc1[N+](=O)[O-])C1CC1)OC ZINC000595388051 345772044 /nfs/dbraw/zinc/77/20/44/345772044.db2.gz SYQJZVSRAXZYNX-AWEZNQCLSA-N 0 1 294.351 2.221 20 5 CEBDMN CN(Cc1ccc(F)cc1[N+](=O)[O-])C[C@@H]1CCC[C@H]1O ZINC000595387226 345772619 /nfs/dbraw/zinc/77/26/19/345772619.db2.gz BYGIPVNAABKTJI-SMDDNHRTSA-N 0 1 282.315 2.327 20 5 CEBDMN Cc1noc(CN2CC[C@H]3CCC[C@H]32)c1[N+](=O)[O-] ZINC000595446409 345784766 /nfs/dbraw/zinc/78/47/66/345784766.db2.gz LFEKGFQIHAUBBS-NXEZZACHSA-N 0 1 251.286 2.266 20 5 CEBDMN Cc1noc(CN2CCC[C@@H]2[C@H]2CCC[C@@H]2O)c1[N+](=O)[O-] ZINC000595515587 345801442 /nfs/dbraw/zinc/80/14/42/345801442.db2.gz YRJDOKNFJSGTBU-UTUOFQBUSA-N 0 1 295.339 2.017 20 5 CEBDMN CC[N@H+]1CCCN(Cc2cc([O-])ccc2[N+](=O)[O-])[C@H](C)C1 ZINC000595535512 345805391 /nfs/dbraw/zinc/80/53/91/345805391.db2.gz GSHVEHJXLMGSFT-GFCCVEGCSA-N 0 1 293.367 2.217 20 5 CEBDMN C[C@@H]1CCC[N@@H+](Cc2cc([O-])ccc2[N+](=O)[O-])[C@H]1CCO ZINC000595695390 345851125 /nfs/dbraw/zinc/85/11/25/345851125.db2.gz HFCHMWJTTLRRMD-RISCZKNCSA-N 0 1 294.351 2.283 20 5 CEBDMN C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2F)C[C@H](C)[C@H]1O ZINC000595746170 345865133 /nfs/dbraw/zinc/86/51/33/345865133.db2.gz YCUXATGBUHFVHD-MSRIBSCDSA-N 0 1 282.315 2.183 20 5 CEBDMN C[C@@H](O)[C@H]1CCCN1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595764993 345870119 /nfs/dbraw/zinc/87/01/19/345870119.db2.gz FUWFQPCWHMDWNY-BXKDBHETSA-N 0 1 268.288 2.079 20 5 CEBDMN O=[N+]([O-])c1cc(F)ccc1CN[C@@H]1C[C@@H](O)C12CCC2 ZINC000595780827 345875168 /nfs/dbraw/zinc/87/51/68/345875168.db2.gz IUEHAZBONKZKMO-CHWSQXEVSA-N 0 1 280.299 2.127 20 5 CEBDMN O=[N+]([O-])c1cc(F)ccc1CN[C@H]1C[C@H](O)C12CCC2 ZINC000595780830 345875307 /nfs/dbraw/zinc/87/53/07/345875307.db2.gz IUEHAZBONKZKMO-STQMWFEESA-N 0 1 280.299 2.127 20 5 CEBDMN O=[N+]([O-])c1cc(F)ccc1CN[C@@H]1C[C@H](O)C12CCC2 ZINC000595780828 345875548 /nfs/dbraw/zinc/87/55/48/345875548.db2.gz IUEHAZBONKZKMO-OLZOCXBDSA-N 0 1 280.299 2.127 20 5 CEBDMN COc1ccc([N+](=O)[O-])cc1CN[C@@H]1CO[C@H](C2CC2)C1 ZINC000597055657 346121451 /nfs/dbraw/zinc/12/14/51/346121451.db2.gz NHQRIYHVSZWCIG-WFASDCNBSA-N 0 1 292.335 2.261 20 5 CEBDMN C[C@H](C(=O)N(C)Cc1cnc[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000597857562 346238661 /nfs/dbraw/zinc/23/86/61/346238661.db2.gz NGRAWLVIXRHSIQ-JTQLQIEISA-N 0 1 288.307 2.080 20 5 CEBDMN CCN(C(=O)c1cc([N+](=O)[O-])c(C)s1)[C@@H]1CCN(C)C1 ZINC000597947570 346256639 /nfs/dbraw/zinc/25/66/39/346256639.db2.gz YXZQZRRYIBFIPI-SNVBAGLBSA-N 0 1 297.380 2.131 20 5 CEBDMN O=[N+]([O-])c1cnc2ccccc2c1NCCCc1nc[nH]n1 ZINC000317012691 201933001 /nfs/dbraw/zinc/93/30/01/201933001.db2.gz BIVXSOHTRUIJDW-UHFFFAOYSA-N 0 1 298.306 2.306 20 5 CEBDMN CC1(C)CCC[C@H]1CCNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000600160005 346609409 /nfs/dbraw/zinc/60/94/09/346609409.db2.gz NXZBWSQWLREGTB-VIFPVBQESA-N 0 1 280.328 2.264 20 5 CEBDMN CCN(Cc1cn(C)nc1[N+](=O)[O-])C1CC(C)(C)C1 ZINC000602693122 347151017 /nfs/dbraw/zinc/15/10/17/347151017.db2.gz LZKANQGATGOARG-UHFFFAOYSA-N 0 1 266.345 2.339 20 5 CEBDMN CN(CCC(C)(C)C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602699640 347155236 /nfs/dbraw/zinc/15/52/36/347155236.db2.gz JNQVVOXRJLRUFN-UHFFFAOYSA-N 0 1 254.334 2.196 20 5 CEBDMN Cc1ncc([N+](=O)[O-])n1CCN1CCc2ccsc2C1 ZINC000602798653 347203551 /nfs/dbraw/zinc/20/35/51/347203551.db2.gz MSWAPVWSFHBISO-UHFFFAOYSA-N 0 1 292.364 2.220 20 5 CEBDMN Cc1noc(CN2CCN(C)[C@@H](C(C)(C)C)C2)c1[N+](=O)[O-] ZINC000602873776 347233750 /nfs/dbraw/zinc/23/37/50/347233750.db2.gz LEALCPUEUZVGPR-GFCCVEGCSA-N 0 1 296.371 2.053 20 5 CEBDMN CN(C)[C@@H](CNc1cccnc1[N+](=O)[O-])c1ccco1 ZINC000603837392 347391171 /nfs/dbraw/zinc/39/11/71/347391171.db2.gz NDTSHJHLMMGTJQ-NSHDSACASA-N 0 1 276.296 2.298 20 5 CEBDMN CCO[C@H]1CCC[N@H+](Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000610930460 347723368 /nfs/dbraw/zinc/72/33/68/347723368.db2.gz KMSLKBJTLCDSEQ-ZDUSSCGKSA-N 0 1 280.324 2.301 20 5 CEBDMN CCO[C@H]1CCC[N@@H+](Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000610930460 347723370 /nfs/dbraw/zinc/72/33/70/347723370.db2.gz KMSLKBJTLCDSEQ-ZDUSSCGKSA-N 0 1 280.324 2.301 20 5 CEBDMN C[C@@H](C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)N(C)C ZINC000610965055 347726261 /nfs/dbraw/zinc/72/62/61/347726261.db2.gz IOKNAWDXMBZANK-NSHDSACASA-N 0 1 291.351 2.036 20 5 CEBDMN Cc1c(CN2CCc3cn[nH]c3C2)cccc1[N+](=O)[O-] ZINC000611008628 347732345 /nfs/dbraw/zinc/73/23/45/347732345.db2.gz DZGXWNHSCHJZOM-UHFFFAOYSA-N 0 1 272.308 2.185 20 5 CEBDMN CN(Cc1ccc([N+](=O)[O-])cc1)CC1=CCCOC1 ZINC000611254710 347759571 /nfs/dbraw/zinc/75/95/71/347759571.db2.gz KWCPHLNDNRWBSO-UHFFFAOYSA-N 0 1 262.309 2.373 20 5 CEBDMN C[C@@H]1CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C[C@H]1F ZINC000611559629 347794739 /nfs/dbraw/zinc/79/47/39/347794739.db2.gz SYRXEFNAMZKHFH-PRHODGIISA-N 0 1 282.271 2.121 20 5 CEBDMN Cc1ncc([N+](=O)[O-])n1CCN(C)Cc1ccsc1 ZINC000611567871 347795426 /nfs/dbraw/zinc/79/54/26/347795426.db2.gz NQMNFFQDJKABBI-UHFFFAOYSA-N 0 1 280.353 2.293 20 5 CEBDMN CCCc1[nH]nc(C(=O)N2CC[C@@H](C)[C@H](F)C2)c1[N+](=O)[O-] ZINC000611505263 347787222 /nfs/dbraw/zinc/78/72/22/347787222.db2.gz AMAJGKXSBCDSGF-RKDXNWHRSA-N 0 1 298.318 2.091 20 5 CEBDMN C[C@@H]1CCN(Cc2cc(O)ccc2[N+](=O)[O-])C[C@@H]1F ZINC000611521518 347790842 /nfs/dbraw/zinc/79/08/42/347790842.db2.gz NZPQLTHCMAIRNA-SKDRFNHKSA-N 0 1 268.288 2.480 20 5 CEBDMN CCN1CCN(c2cccc(C)c2[N+](=O)[O-])C[C@H]1C ZINC000614976626 348262479 /nfs/dbraw/zinc/26/24/79/348262479.db2.gz ULTZZBSPLOVBIM-GFCCVEGCSA-N 0 1 263.341 2.434 20 5 CEBDMN CCOc1cc(CN(CCCO)C2CC2)ccc1[N+](=O)[O-] ZINC000617201098 348647933 /nfs/dbraw/zinc/64/79/33/348647933.db2.gz GQQJPKCHJFHYBP-UHFFFAOYSA-N 0 1 294.351 2.340 20 5 CEBDMN CC[C@H](N[C@H]1CCN(CC)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000619823375 349238020 /nfs/dbraw/zinc/23/80/20/349238020.db2.gz YQDTZMMZWUQRBP-KBPBESRZSA-N 0 1 291.351 2.256 20 5 CEBDMN O=[N+]([O-])c1ccc(O)cc1CN1CCO[C@H](C2CCC2)C1 ZINC000411836926 233285916 /nfs/dbraw/zinc/28/59/16/233285916.db2.gz AMVGXQJBZRTYGF-HNNXBMFYSA-N 0 1 292.335 2.301 20 5 CEBDMN O=C1[C@H]2CCCCC2=NN1c1cccc([N+](=O)[O-])c1 ZINC000104931056 186033288 /nfs/dbraw/zinc/03/32/88/186033288.db2.gz PRVQCFDPVOWMDG-NSHDSACASA-N 0 1 259.265 2.488 20 5 CEBDMN O=c1c2c([nH]n1-c1cccc([N+](=O)[O-])c1)CCCC2 ZINC000104931056 186033289 /nfs/dbraw/zinc/03/32/89/186033289.db2.gz PRVQCFDPVOWMDG-NSHDSACASA-N 0 1 259.265 2.488 20 5 CEBDMN COc1ccc(CN(C)[C@@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000352194934 219355558 /nfs/dbraw/zinc/35/55/58/219355558.db2.gz MRFVWZCXXIFXNF-GFCCVEGCSA-N 0 1 280.324 2.214 20 5 CEBDMN Cc1[nH]ncc1C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000070212038 363057096 /nfs/dbraw/zinc/05/70/96/363057096.db2.gz OFQGSDBMUZATCF-UHFFFAOYSA-N 0 1 260.253 2.187 20 5 CEBDMN C[C@@H](O)C[C@H]1CCCN1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000124041786 187119915 /nfs/dbraw/zinc/11/99/15/187119915.db2.gz ZFUQOBTZPCMRQU-ZYHUDNBSSA-N 0 1 282.315 2.469 20 5 CEBDMN C[C@H]1OCCN(CCCOc2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC000156162981 188246342 /nfs/dbraw/zinc/24/63/42/188246342.db2.gz ZYDFNDOPJBJTHO-CHWSQXEVSA-N 0 1 294.351 2.473 20 5 CEBDMN Cc1cc(N2CCN(C)C[C@@H]2C(C)C)ncc1[N+](=O)[O-] ZINC000074765092 363386659 /nfs/dbraw/zinc/38/66/59/363386659.db2.gz JASHHANWGHDOFB-CYBMUJFWSA-N 0 1 278.356 2.075 20 5 CEBDMN CCOc1cc(CN2C[C@H](C)C[C@@H](O)C2)ccc1[N+](=O)[O-] ZINC000452067724 283176269 /nfs/dbraw/zinc/17/62/69/283176269.db2.gz IXELBPMEUTYSOM-DGCLKSJQSA-N 0 1 294.351 2.196 20 5 CEBDMN Cc1nccn1CC[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000338344337 366306433 /nfs/dbraw/zinc/30/64/33/366306433.db2.gz BBKJSKNPNRVVBW-UHFFFAOYSA-N 0 1 288.351 2.274 20 5 CEBDMN C[C@]1(C(=O)[O-])CCC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000079490646 363608975 /nfs/dbraw/zinc/60/89/75/363608975.db2.gz UGVDVMQPGKBGSP-CYBMUJFWSA-N 0 1 264.281 2.034 20 5 CEBDMN O=[N+]([O-])c1cc(F)c(NCc2n[nH]c(C3CC3)n2)c(F)c1 ZINC000294906334 199241757 /nfs/dbraw/zinc/24/17/57/199241757.db2.gz HUODURIAZHDOAJ-UHFFFAOYSA-N 0 1 295.249 2.481 20 5 CEBDMN C[C@@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)c1cncs1 ZINC000338899239 366564215 /nfs/dbraw/zinc/56/42/15/366564215.db2.gz GSAVXSNBZQDKQK-SSDOTTSWSA-N 0 1 293.304 2.248 20 5 CEBDMN CC1(C)CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000081353070 363714401 /nfs/dbraw/zinc/71/44/01/363714401.db2.gz BTVDFQFTHAITNM-UHFFFAOYSA-N 0 1 288.307 2.343 20 5 CEBDMN O=[N+]([O-])c1cccc(CN(CCn2cccn2)C2CC2)c1 ZINC000177998920 189084849 /nfs/dbraw/zinc/08/48/49/189084849.db2.gz IGXBXOWHVOHXLG-UHFFFAOYSA-N 0 1 286.335 2.456 20 5 CEBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@@H]1c1ccc(Cl)cc1 ZINC000363419974 296065735 /nfs/dbraw/zinc/06/57/35/296065735.db2.gz RXHHMAZHYNMMHW-UTUOFQBUSA-N 0 1 280.711 2.279 20 5 CEBDMN COc1ccc([N+](=O)[O-])cc1CN1[C@@H](CO)CCC[C@@H]1C ZINC000159096053 366876390 /nfs/dbraw/zinc/87/63/90/366876390.db2.gz YZJTXUYLASKLNZ-SMDDNHRTSA-N 0 1 294.351 2.339 20 5 CEBDMN COCC(COC)N[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000572355130 299361019 /nfs/dbraw/zinc/36/10/19/299361019.db2.gz XLGFASXLWDSKAK-NSHDSACASA-N 0 1 282.340 2.215 20 5 CEBDMN Cc1cc([C@H](C)NC(=O)c2n[nH]cc2[N+](=O)[O-])c(C)s1 ZINC000159846011 366952647 /nfs/dbraw/zinc/95/26/47/366952647.db2.gz OYDDMRASCFNZAC-ZETCQYMHSA-N 0 1 294.336 2.487 20 5 CEBDMN CCN1CCN(c2ccc(F)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000343275324 367739422 /nfs/dbraw/zinc/73/94/22/367739422.db2.gz TWPWIKNOLMCYBE-JTQLQIEISA-N 0 1 267.304 2.264 20 5 CEBDMN C[C@@H]1CSCCN1CCOc1cccc([N+](=O)[O-])c1 ZINC000172594263 367785023 /nfs/dbraw/zinc/78/50/23/367785023.db2.gz VLJNHXJLEUZSIR-LLVKDONJSA-N 0 1 282.365 2.411 20 5 CEBDMN Cc1nc([C@H](C)Nc2ccc(F)cc2[N+](=O)[O-])n[nH]1 ZINC000343934595 368080494 /nfs/dbraw/zinc/08/04/94/368080494.db2.gz GSAMHLUBLKDFLO-LURJTMIESA-N 0 1 265.248 2.334 20 5 CEBDMN Cc1ccoc1CN(C)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000345066436 368144570 /nfs/dbraw/zinc/14/45/70/368144570.db2.gz ACOSLOPQMKPHTO-UHFFFAOYSA-N 0 1 290.275 2.474 20 5 CEBDMN COC(=O)CC1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000345307758 368228510 /nfs/dbraw/zinc/22/85/10/368228510.db2.gz SOEUERJLNFFRFW-UHFFFAOYSA-N 0 1 292.335 2.370 20 5 CEBDMN C[C@@H](NCCc1ccc([N+](=O)[O-])cc1)c1ccon1 ZINC000349238865 369274336 /nfs/dbraw/zinc/27/43/36/369274336.db2.gz HJGDHOWHLVLSOH-SNVBAGLBSA-N 0 1 261.281 2.476 20 5 CEBDMN O=[N+]([O-])c1cccc(-c2noc([C@H]3C[C@@H]3c3nc[nH]n3)n2)c1 ZINC000349902022 369444479 /nfs/dbraw/zinc/44/44/79/369444479.db2.gz HZULPDWMWGGTPM-UWVGGRQHSA-N 0 1 298.262 2.034 20 5 CEBDMN Cc1cc([N+](=O)[O-])ccc1CN[C@H](CO)CC(F)(F)F ZINC000350049587 369490998 /nfs/dbraw/zinc/49/09/98/369490998.db2.gz PCTODLAGKGSQJO-JTQLQIEISA-N 0 1 292.257 2.306 20 5 CEBDMN COC(=O)[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000191785822 369743308 /nfs/dbraw/zinc/74/33/08/369743308.db2.gz MBCNJCBETRROGC-RISCZKNCSA-N 0 1 292.335 2.226 20 5 CEBDMN COc1nn(C)cc1Nc1nc(C)cc(C)c1[N+](=O)[O-] ZINC000352583128 369796201 /nfs/dbraw/zinc/79/62/01/369796201.db2.gz IAFAGKYLSCINFO-UHFFFAOYSA-N 0 1 277.284 2.092 20 5 CEBDMN CO[C@H](C)CNCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000224148410 370276465 /nfs/dbraw/zinc/27/64/65/370276465.db2.gz JSWYZOABEIAEPE-MRVPVSSYSA-N 0 1 258.705 2.373 20 5 CEBDMN Cc1ccc([N+](=O)[O-])c(NCCN2CCSCC2)c1 ZINC000228767010 370413712 /nfs/dbraw/zinc/41/37/12/370413712.db2.gz FJYRSMUCOZIBEB-UHFFFAOYSA-N 0 1 281.381 2.364 20 5 CEBDMN CCOC(=O)[C@@H](C)[C@H](C)NCc1c(F)cccc1[N+](=O)[O-] ZINC000358836713 371241347 /nfs/dbraw/zinc/24/13/47/371241347.db2.gz ZGMNSQCXAMHMPS-UWVGGRQHSA-N 0 1 298.314 2.411 20 5 CEBDMN COC(=O)[C@@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000249077833 371291915 /nfs/dbraw/zinc/29/19/15/371291915.db2.gz MBCNJCBETRROGC-SMDDNHRTSA-N 0 1 292.335 2.226 20 5 CEBDMN CC(C)N(Cc1c([N+](=O)[O-])ncn1C)CC1CCC1 ZINC000331899491 204277165 /nfs/dbraw/zinc/27/71/65/204277165.db2.gz BLFCSWROUVRKBO-UHFFFAOYSA-N 0 1 266.345 2.339 20 5 CEBDMN C[C@@H]1CCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000331981729 204358079 /nfs/dbraw/zinc/35/80/79/204358079.db2.gz BGMSKRBRMWNEDM-SNVBAGLBSA-N 0 1 278.308 2.303 20 5 CEBDMN O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H]1CCCc2cn[nH]c21 ZINC000362427522 372359291 /nfs/dbraw/zinc/35/92/91/372359291.db2.gz DBJDWPNPHTZZEH-GFCCVEGCSA-N 0 1 286.291 2.377 20 5 CEBDMN CC(C)c1[nH]nc(C(=O)N(C)C2CCC2)c1[N+](=O)[O-] ZINC000269335826 372422944 /nfs/dbraw/zinc/42/29/44/372422944.db2.gz BFFMTJYWQJMXQI-UHFFFAOYSA-N 0 1 266.301 2.066 20 5 CEBDMN Cc1ccc(CN2CCC[C@H](CO)C2)cc1[N+](=O)[O-] ZINC000269361280 372430062 /nfs/dbraw/zinc/43/00/62/372430062.db2.gz PBAHEXXWBMTRFJ-ZDUSSCGKSA-N 0 1 264.325 2.108 20 5 CEBDMN C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000364547669 372750782 /nfs/dbraw/zinc/75/07/82/372750782.db2.gz SBAIJVGDSDDNRI-YXCITZCRSA-N 0 1 274.320 2.056 20 5 CEBDMN CN(Cc1ccc([N+](=O)[O-])cc1F)CC1(O)CCC1 ZINC000353466560 220099956 /nfs/dbraw/zinc/09/99/56/220099956.db2.gz HWNUQTBEAYZQGZ-UHFFFAOYSA-N 0 1 268.288 2.081 20 5 CEBDMN O=C(N[C@@H]1CCC[C@H]1c1ccccc1)[C@H]1CC1[N+](=O)[O-] ZINC000365543111 372888096 /nfs/dbraw/zinc/88/80/96/372888096.db2.gz CNKDVVYZIOUOPK-IGQOVBAYSA-N 0 1 274.320 2.104 20 5 CEBDMN Cc1n[nH]c(C(F)F)c1NC(=O)c1ccc([N+](=O)[O-])n1C ZINC000353545328 220148095 /nfs/dbraw/zinc/14/80/95/220148095.db2.gz LPJZILMIWBDCFQ-UHFFFAOYSA-N 0 1 299.237 2.155 20 5 CEBDMN CN(Cc1cccnc1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000271047430 373090326 /nfs/dbraw/zinc/09/03/26/373090326.db2.gz WBKIFRSNDVZRBD-HNNXBMFYSA-N 0 1 287.319 2.155 20 5 CEBDMN COc1cc([N+](=O)[O-])ccc1CN1CC[C@]2(CCOC2)C1 ZINC000366615412 373090847 /nfs/dbraw/zinc/09/08/47/373090847.db2.gz BNIJPZDRDAXBME-HNNXBMFYSA-N 0 1 292.335 2.216 20 5 CEBDMN Cc1ccc(C[C@@H]2CCCN2C(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC000369301552 373381472 /nfs/dbraw/zinc/38/14/72/373381472.db2.gz JMJCKKMVAGHOOO-ZNMIVQPWSA-N 0 1 288.347 2.194 20 5 CEBDMN O=[N+]([O-])c1cc(O)cc(-c2nc([C@@H]3CCCO3)no2)c1 ZINC000275021194 374128588 /nfs/dbraw/zinc/12/85/88/374128588.db2.gz TTWWRHGZALNOFG-JTQLQIEISA-N 0 1 277.236 2.202 20 5 CEBDMN Cc1ccccc1[C@@H]1CCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000372536615 374150372 /nfs/dbraw/zinc/15/03/72/374150372.db2.gz KTZCGQLKGBVROU-HZSPNIEDSA-N 0 1 274.320 2.324 20 5 CEBDMN C[C@@H]1C[C@H](c2ccccc2)N(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000376196389 374699382 /nfs/dbraw/zinc/69/93/82/374699382.db2.gz GHINUEMMDUFZCZ-FMKGYKFTSA-N 0 1 274.320 2.261 20 5 CEBDMN Cc1csc([C@@H]2CCCCN2C(=O)[C@H]2CC2[N+](=O)[O-])n1 ZINC000377555857 374884684 /nfs/dbraw/zinc/88/46/84/374884684.db2.gz DXRVEHXXWJVZCV-DCAQKATOSA-N 0 1 295.364 2.170 20 5 CEBDMN COCC(COC)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000388404568 375291082 /nfs/dbraw/zinc/29/10/82/375291082.db2.gz RAOUHXRBSWUKRE-LLVKDONJSA-N 0 1 282.340 2.215 20 5 CEBDMN Cn1cnc([N+](=O)[O-])c1CN1CCCC2(CCCC2)C1 ZINC000408443965 375482891 /nfs/dbraw/zinc/48/28/91/375482891.db2.gz PZMYVSFXVZATCV-UHFFFAOYSA-N 0 1 278.356 2.485 20 5 CEBDMN C[C@H]1C[C@H](N(C)c2ncc([N+](=O)[O-])cc2F)CC[N@H+]1C ZINC000408464800 375488431 /nfs/dbraw/zinc/48/84/31/375488431.db2.gz FTUBZRASCVIVHY-VHSXEESVSA-N 0 1 282.319 2.048 20 5 CEBDMN C[C@@H]1CC(O)C[C@@H](C)N1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000282520505 375506848 /nfs/dbraw/zinc/50/68/48/375506848.db2.gz PKCJDHCCQCYNAH-NXEZZACHSA-N 0 1 282.315 2.468 20 5 CEBDMN C[C@H]1CC(O)C[C@H](C)N1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000282520511 375507106 /nfs/dbraw/zinc/50/71/06/375507106.db2.gz PKCJDHCCQCYNAH-UWVGGRQHSA-N 0 1 282.315 2.468 20 5 CEBDMN COc1cc(CN[C@@H]2CSC2(C)C)c([N+](=O)[O-])cc1O ZINC000282587979 375525380 /nfs/dbraw/zinc/52/53/80/375525380.db2.gz BYQJCRYOMJWCNV-GFCCVEGCSA-N 0 1 298.364 2.293 20 5 CEBDMN CCC[C@@H](N[C@@H]1COC[C@@H]1OC)c1cccc([N+](=O)[O-])c1 ZINC000414174127 375800294 /nfs/dbraw/zinc/80/02/94/375800294.db2.gz ACSVQZHPQDTGHL-KFWWJZLASA-N 0 1 294.351 2.439 20 5 CEBDMN CC[C@@H](CN(C)Cc1ccccc1[N+](=O)[O-])OC ZINC000419186057 376391990 /nfs/dbraw/zinc/39/19/90/376391990.db2.gz DXDAYLBEDNNSMX-LBPRGKRZSA-N 0 1 252.314 2.452 20 5 CEBDMN C[C@@H](NCc1cncn1C)c1ccc([N+](=O)[O-])cc1 ZINC000289915679 376557600 /nfs/dbraw/zinc/55/76/00/376557600.db2.gz UOYZJTDCHDEUPE-SNVBAGLBSA-N 0 1 260.297 2.179 20 5 CEBDMN COCCN1CC[C@@H](Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000264568034 190119511 /nfs/dbraw/zinc/11/95/11/190119511.db2.gz GUJGROZRZLGJRB-SNVBAGLBSA-N 0 1 299.758 2.381 20 5 CEBDMN CC[C@@H](F)CN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000331276098 377356458 /nfs/dbraw/zinc/35/64/58/377356458.db2.gz CHEFTHGESRQLBE-MNOVXSKESA-N 0 1 282.319 2.224 20 5 CEBDMN O=C(Nc1nc2ccccc2[nH]1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000427677109 377433881 /nfs/dbraw/zinc/43/38/81/377433881.db2.gz DZDRDGMMLRSPNI-UHFFFAOYSA-N 0 1 298.258 2.429 20 5 CEBDMN O=[N+]([O-])c1ccc(CN2CCC[C@@H](O)CC2)cc1F ZINC000293129739 377439465 /nfs/dbraw/zinc/43/94/65/377439465.db2.gz MTBMMVCCOVQMAH-LLVKDONJSA-N 0 1 268.288 2.081 20 5 CEBDMN C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2F)C[C@H](C)N1C ZINC000293503323 377598010 /nfs/dbraw/zinc/59/80/10/377598010.db2.gz UQNOBVADRPXSGP-PHIMTYICSA-N 0 1 281.331 2.258 20 5 CEBDMN COC[C@@H]1CCN(Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000265824198 190210334 /nfs/dbraw/zinc/21/03/34/190210334.db2.gz SNCFUYSYKUSVIP-LLVKDONJSA-N 0 1 280.324 2.072 20 5 CEBDMN COc1cc([N+](=O)[O-])ccc1CN(C)[C@H]1C[C@@H](OC)C1 ZINC000510122049 379114691 /nfs/dbraw/zinc/11/46/91/379114691.db2.gz RRMCNWXOSQLOFA-BETUJISGSA-N 0 1 280.324 2.213 20 5 CEBDMN C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC[C@@H](O)C1 ZINC000266530183 190264362 /nfs/dbraw/zinc/26/43/62/190264362.db2.gz LTYWIZHASTUFCP-WDEREUQCSA-N 0 1 250.298 2.113 20 5 CEBDMN C[C@H](C[S@](C)=O)N(C)[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000520428321 379467528 /nfs/dbraw/zinc/46/75/28/379467528.db2.gz QPSNBPVBEWHYGX-FBWDIHGXSA-N 0 1 296.392 2.281 20 5 CEBDMN CC(C)c1[nH]nc(C(=O)N2[C@@H](C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000526932303 379711710 /nfs/dbraw/zinc/71/17/10/379711710.db2.gz JLMVDEPMDOZYIP-YUMQZZPRSA-N 0 1 266.301 2.064 20 5 CEBDMN CC(C)c1[nH]nc(C(=O)N2[C@H](C)C[C@H]2C)c1[N+](=O)[O-] ZINC000526932299 379712471 /nfs/dbraw/zinc/71/24/71/379712471.db2.gz JLMVDEPMDOZYIP-HTQZYQBOSA-N 0 1 266.301 2.064 20 5 CEBDMN O=[N+]([O-])c1ccc(CN2CCC[C@H]3COC[C@H]32)cc1 ZINC000367070854 285112859 /nfs/dbraw/zinc/11/28/59/285112859.db2.gz HKOMRZDSJZACCI-GXTWGEPZSA-N 0 1 262.309 2.206 20 5 CEBDMN O=[N+]([O-])c1ccc(F)cc1N1CC[C@@H](N2CC=CC2)C1 ZINC000302820774 285118952 /nfs/dbraw/zinc/11/89/52/285118952.db2.gz PWYXFBHJWLGMQZ-GFCCVEGCSA-N 0 1 277.299 2.184 20 5 CEBDMN O=[N+]([O-])c1ccc(N2CC[C@H](N3CC=CC3)C2)c(F)c1 ZINC000266271800 285130205 /nfs/dbraw/zinc/13/02/05/285130205.db2.gz RGKHJQUFZGPYPB-LBPRGKRZSA-N 0 1 277.299 2.184 20 5 CEBDMN O=[N+]([O-])c1ccc2c(c1)CN(C[C@H]1CCCOC1)CCO2 ZINC000352703230 285142645 /nfs/dbraw/zinc/14/26/45/285142645.db2.gz AJABPSXVCVLNHA-GFCCVEGCSA-N 0 1 292.335 2.216 20 5 CEBDMN COC[C@@H](NCc1cc(O)ccc1[N+](=O)[O-])c1ccco1 ZINC000339084121 285238984 /nfs/dbraw/zinc/23/89/84/285238984.db2.gz QRHZPQILHSQDIU-GFCCVEGCSA-N 0 1 292.291 2.371 20 5 CEBDMN Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)[C@H]1CC1[N+](=O)[O-] ZINC000363172092 292015682 /nfs/dbraw/zinc/01/56/82/292015682.db2.gz HYIBWQNFLWBCGD-SDDRHHMPSA-N 0 1 292.335 2.383 20 5 CEBDMN O=[N+]([O-])c1c(F)cccc1N1CC[C@H](N2CC=CC2)C1 ZINC000266275160 296495967 /nfs/dbraw/zinc/49/59/67/296495967.db2.gz RVEZZGZUXFHQRH-NSHDSACASA-N 0 1 277.299 2.184 20 5 CEBDMN Cc1nc([C@H](C)Sc2ccc([N+](=O)[O-])cn2)n[nH]1 ZINC000413004615 394459017 /nfs/dbraw/zinc/45/90/17/394459017.db2.gz XFGNNXCWMUFKSN-LURJTMIESA-N 0 1 265.298 2.270 20 5 CEBDMN CC(C)[C@@H]1CN(C)CCN1c1ncc(Cl)cc1[N+](=O)[O-] ZINC000301751654 394464497 /nfs/dbraw/zinc/46/44/97/394464497.db2.gz VABFAKPAGTVBCM-LBPRGKRZSA-N 0 1 298.774 2.420 20 5 CEBDMN C[C@@H]1CN(C2CC2)C[C@@H]1Nc1ncc([N+](=O)[O-])cc1F ZINC000413187515 394499899 /nfs/dbraw/zinc/49/98/99/394499899.db2.gz FGKHNFHJUZXXPE-PELKAZGASA-N 0 1 280.303 2.024 20 5 CEBDMN O=C(N[C@H]1CCCc2cn[nH]c21)c1ccccc1[N+](=O)[O-] ZINC000268992684 394706310 /nfs/dbraw/zinc/70/63/10/394706310.db2.gz PFVUUMHRVNKYRN-NSHDSACASA-N 0 1 286.291 2.125 20 5 CEBDMN CC1(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)CCCC1 ZINC000274603283 394798889 /nfs/dbraw/zinc/79/88/89/394798889.db2.gz FLSRBQBHUQUOTJ-UHFFFAOYSA-N 0 1 264.281 2.363 20 5 CEBDMN Cc1cccc(N2CC[C@H](c3nc[nH]n3)C2)c1[N+](=O)[O-] ZINC000425288770 395056402 /nfs/dbraw/zinc/05/64/02/395056402.db2.gz UTDAFSROTIHLMS-JTQLQIEISA-N 0 1 273.296 2.015 20 5 CEBDMN C[C@@H](NC(=O)CCc1cnc[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000189168190 395325380 /nfs/dbraw/zinc/32/53/80/395325380.db2.gz AIPMFOUPXVDPKI-SNVBAGLBSA-N 0 1 288.307 2.128 20 5 CEBDMN C[C@H]1OCC[C@@]1(C)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444704463 395447850 /nfs/dbraw/zinc/44/78/50/395447850.db2.gz LISDTMVQFZIBIA-YMTOWFKASA-N 0 1 290.323 2.128 20 5 CEBDMN CC[C@@H]1[C@@H](CO)CCN1Cc1c(F)cccc1[N+](=O)[O-] ZINC000451256077 395599929 /nfs/dbraw/zinc/59/99/29/395599929.db2.gz OIUBJVKTVCVFBP-ZWNOBZJWSA-N 0 1 282.315 2.327 20 5 CEBDMN CC[C@@H]1CN(C)CC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000568710200 395567087 /nfs/dbraw/zinc/56/70/87/395567087.db2.gz ZVJRWQIQUUZEAG-CQSZACIVSA-N 0 1 277.368 2.163 20 5 CEBDMN C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[C@@](O)(C(F)F)C1 ZINC000451441806 395618458 /nfs/dbraw/zinc/61/84/58/395618458.db2.gz ZJOTZOSQBHTNFE-ZANVPECISA-N 0 1 286.278 2.358 20 5 CEBDMN CC(C)c1[nH]nc(C(=O)N(C)[C@@H]2CC2(C)C)c1[N+](=O)[O-] ZINC000331467930 400344590 /nfs/dbraw/zinc/34/45/90/400344590.db2.gz JHEGPKXMSNLXMD-MRVPVSSYSA-N 0 1 280.328 2.312 20 5 CEBDMN COc1cccc(N2CC[C@@H](N3CC=CC3)C2)c1[N+](=O)[O-] ZINC000185484034 286457387 /nfs/dbraw/zinc/45/73/87/286457387.db2.gz XHQJUFNAVOMDGF-GFCCVEGCSA-N 0 1 289.335 2.054 20 5 CEBDMN CO[C@@H](C)CN(C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000285564344 196328504 /nfs/dbraw/zinc/32/85/04/196328504.db2.gz HGQOWLYTLXPEMT-VIFPVBQESA-N 0 1 256.277 2.201 20 5 CEBDMN O=[N+]([O-])c1ccc(CCNCc2cscn2)cc1 ZINC000040676020 174373880 /nfs/dbraw/zinc/37/38/80/174373880.db2.gz AAZOFNUCSZVHNN-UHFFFAOYSA-N 0 1 263.322 2.384 20 5 CEBDMN Cc1nn(CCN(C)Cc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000189347546 270261211 /nfs/dbraw/zinc/26/12/11/270261211.db2.gz YEJHTYIYEQYYPB-UHFFFAOYSA-N 0 1 292.314 2.371 20 5 CEBDMN CC[C@H](CN1CCN(c2cccc([N+](=O)[O-])c2)CC1)OC ZINC000419190618 270423651 /nfs/dbraw/zinc/42/36/51/270423651.db2.gz QWZWCNKJQYBJFT-OAHLLOKOSA-N 0 1 293.367 2.142 20 5 CEBDMN COc1cc([N+](=O)[O-])ccc1CN1CCCC[C@H]1CCO ZINC000430227952 271364710 /nfs/dbraw/zinc/36/47/10/271364710.db2.gz QTKJCBPNSVAHPK-ZDUSSCGKSA-N 0 1 294.351 2.340 20 5 CEBDMN CC1(C)CN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CCN1 ZINC000175394047 275842466 /nfs/dbraw/zinc/84/24/66/275842466.db2.gz PSVYCAFCIXIFIX-UHFFFAOYSA-N 0 1 297.742 2.072 20 5 CEBDMN CC(C)c1[nH]nc(C(=O)N2CC[C@@H]3CCC[C@H]32)c1[N+](=O)[O-] ZINC000408376716 278000732 /nfs/dbraw/zinc/00/07/32/278000732.db2.gz NZMMBNVXHPZESX-VHSXEESVSA-N 0 1 292.339 2.456 20 5 CEBDMN CCN(CC(F)F)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000184651527 280119453 /nfs/dbraw/zinc/11/94/53/280119453.db2.gz WROQZNMLGXJUIR-UHFFFAOYSA-N 0 1 298.249 2.198 20 5 CEBDMN C[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])c1cccc(F)c1F ZINC000153842181 289124555 /nfs/dbraw/zinc/12/45/55/289124555.db2.gz KVKFJASNXOWOGB-ZCFIWIBFSA-N 0 1 296.233 2.087 20 5 CEBDMN C[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000158811913 289240967 /nfs/dbraw/zinc/24/09/67/289240967.db2.gz XVCCGYHSGXFXIO-SSDOTTSWSA-N 0 1 294.698 2.462 20 5 CEBDMN Cc1cc(C)c([N+](=O)[O-])c(N2CCN(C)C[C@@H]2C(C)C)n1 ZINC000359092524 301204109 /nfs/dbraw/zinc/20/41/09/301204109.db2.gz FWWMKUXICHUOKP-CYBMUJFWSA-N 0 1 292.383 2.383 20 5 CEBDMN CC1=C[C@H](C)CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000435998808 313018629 /nfs/dbraw/zinc/01/86/29/313018629.db2.gz GZDSGKBGENNTSS-VIFPVBQESA-N 0 1 276.292 2.339 20 5 CEBDMN O=C(N[C@@H]1CCC[C@@H](F)C1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000580567547 322327165 /nfs/dbraw/zinc/32/71/65/322327165.db2.gz CWOIPJLKQFPEDE-NXEZZACHSA-N 0 1 282.271 2.311 20 5 CEBDMN C[C@@H]1CC[C@H](C(=O)[O-])C[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000397325747 329349928 /nfs/dbraw/zinc/34/99/28/329349928.db2.gz AERZKRXQYPCDSF-PWSUYJOCSA-N 0 1 278.308 2.280 20 5 CEBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCNC(C)(C)C1 ZINC000414660920 534341091 /nfs/dbraw/zinc/34/10/91/534341091.db2.gz OWNBHZFIPLEEGW-UHFFFAOYSA-N 0 1 292.339 2.119 20 5 CEBDMN CCCc1[nH]nc(C(=O)N2CCCC3(CC3)C2)c1[N+](=O)[O-] ZINC000184111414 521326731 /nfs/dbraw/zinc/32/67/31/521326731.db2.gz LAYRQIQZJLMROY-UHFFFAOYSA-N 0 1 292.339 2.287 20 5 CEBDMN Cc1n[nH]c([C@H]2CCN(Cc3csc([N+](=O)[O-])c3)C2)n1 ZINC000412025606 534613076 /nfs/dbraw/zinc/61/30/76/534613076.db2.gz HNGCQJDZKBLGMU-JTQLQIEISA-N 0 1 293.352 2.072 20 5 CEBDMN Cc1nnc([C@H]2CCN(Cc3csc([N+](=O)[O-])c3)C2)[nH]1 ZINC000412025606 534613081 /nfs/dbraw/zinc/61/30/81/534613081.db2.gz HNGCQJDZKBLGMU-JTQLQIEISA-N 0 1 293.352 2.072 20 5 CEBDMN Cc1c(C[N@H+](CC(=O)[O-])CC(C)C)cccc1[N+](=O)[O-] ZINC000062742835 525702208 /nfs/dbraw/zinc/70/22/08/525702208.db2.gz IABSRZZMGWNUPY-UHFFFAOYSA-N 0 1 280.324 2.446 20 5 CEBDMN CC(C)N(Cc1ccccc1[N+](=O)[O-])C[C@@H]1CCC(=O)N1 ZINC000412071757 528953472 /nfs/dbraw/zinc/95/34/72/528953472.db2.gz HUNBCJQEDODLGT-ZDUSSCGKSA-N 0 1 291.351 2.084 20 5 CEBDMN CCN(CC)C(=O)CNC/C=C/c1ccccc1[N+](=O)[O-] ZINC000726606193 574427990 /nfs/dbraw/zinc/42/79/90/574427990.db2.gz CMDILJFXVWVOFM-VQHVLOKHSA-N 0 1 291.351 2.066 20 5 CEBDMN CC(C)[C@H](C(=O)OCc1ccc([N+](=O)[O-])cc1)N(C)C ZINC000730089030 574500983 /nfs/dbraw/zinc/50/09/83/574500983.db2.gz MFSIEPRSWPBVBY-CYBMUJFWSA-N 0 1 280.324 2.224 20 5 CEBDMN CCc1cc(CNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])n[nH]1 ZINC000732804629 574631596 /nfs/dbraw/zinc/63/15/96/574631596.db2.gz UAAFOQGPXIVKNR-UHFFFAOYSA-N 0 1 291.267 2.401 20 5 CEBDMN O=[N+]([O-])c1cc(CN2CCC(c3nc[nH]n3)CC2)cs1 ZINC000751500798 575290509 /nfs/dbraw/zinc/29/05/09/575290509.db2.gz LNPUHPXLTSTCRD-UHFFFAOYSA-N 0 1 293.352 2.154 20 5 CEBDMN Cc1ccc(C[N@H+](CC(=O)[O-])C(C)C)cc1[N+](=O)[O-] ZINC000714012361 598127775 /nfs/dbraw/zinc/12/77/75/598127775.db2.gz DTGTXFVCKJLOII-UHFFFAOYSA-N 0 1 266.297 2.198 20 5 CEBDMN C[C@]1(C(=O)[O-])CC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000833554276 604674423 /nfs/dbraw/zinc/67/44/23/604674423.db2.gz QFKDKZLSTSLWFL-VOKGJARPSA-N 0 1 290.319 2.405 20 5 CEBDMN COc1cc(F)c([N+](=O)[O-])c(N[C@@H](C)c2n[nH]c(C)n2)c1 ZINC000804838884 623045584 /nfs/dbraw/zinc/04/55/84/623045584.db2.gz QTQPBYOZQWKNRJ-LURJTMIESA-N 0 1 295.274 2.342 20 5 CEBDMN O=C(OCc1ccc(C(F)F)cc1)[C@@H]1CC1[N+](=O)[O-] ZINC000840673380 629356424 /nfs/dbraw/zinc/35/64/24/629356424.db2.gz MOGXRLDXOBTCFT-NXEZZACHSA-N 0 1 271.219 2.333 20 5 CEBDMN CO[C@@H]1CC[C@@H]1N(C)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000902634940 634754829 /nfs/dbraw/zinc/75/48/29/634754829.db2.gz WPOXIOQMEUXONE-UONOGXRCSA-N 0 1 290.323 2.011 20 5 CEBDMN CC(C)(C)N1CC[C@H]1C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000895756691 630333048 /nfs/dbraw/zinc/33/30/48/630333048.db2.gz KXSIMDCMBGLABP-ZDUSSCGKSA-N 0 1 291.351 2.084 20 5 CEBDMN CN1CC[C@H]1CNc1ccc2cnccc2c1[N+](=O)[O-] ZINC000895767803 630336807 /nfs/dbraw/zinc/33/68/07/630336807.db2.gz RVNGPFRHRXWAPF-NSHDSACASA-N 0 1 272.308 2.259 20 5 CEBDMN Cc1cc(N[C@@H]2CC23CC(O)C3)c2cc([N+](=O)[O-])ccc2n1 ZINC000897091242 630924350 /nfs/dbraw/zinc/92/43/50/630924350.db2.gz IEHLGCFUIBYKJZ-YWCUFVOSSA-N 0 1 299.330 2.199 20 5 CEBDMN CCn1cnnc1SCc1cc(O)ccc1[N+](=O)[O-] ZINC000840078214 631786799 /nfs/dbraw/zinc/78/67/99/631786799.db2.gz OTJPDAITUXBMNM-UHFFFAOYSA-N 0 1 280.309 2.204 20 5 CEBDMN Cc1nc([C@H](C)OC(=O)c2cc(F)ccc2[N+](=O)[O-])n[nH]1 ZINC000840222264 632332739 /nfs/dbraw/zinc/33/27/39/632332739.db2.gz BZIJUPLJVSTCII-LURJTMIESA-N 0 1 294.242 2.078 20 5 CEBDMN CC[C@@H](c1ccncc1)N(CC)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840359321 633917157 /nfs/dbraw/zinc/91/71/57/633917157.db2.gz SKDGQLVIIYKMEI-FRRDWIJNSA-N 0 1 277.324 2.046 20 5 CEBDMN C[C@@H](CN[C@H](C)c1cnn(C)n1)c1ccccc1[N+](=O)[O-] ZINC000903245230 635025904 /nfs/dbraw/zinc/02/59/04/635025904.db2.gz KRWQTIPBCQVPKP-WDEREUQCSA-N 0 1 289.339 2.178 20 5 CEBDMN O=C([O-])[C@]12C[C@H]1CCC[N@H+]2CCc1ccc([N+](=O)[O-])cc1 ZINC000903936400 635360583 /nfs/dbraw/zinc/36/05/83/635360583.db2.gz IYMUROHTUUOCMC-DOMZBBRYSA-N 0 1 290.319 2.076 20 5 CEBDMN O=[N+]([O-])CCNCc1cccc(OCc2ccccn2)c1 ZINC000905044570 635785806 /nfs/dbraw/zinc/78/58/06/635785806.db2.gz FCWKHXVLQXHEEP-UHFFFAOYSA-N 0 1 287.319 2.027 20 5 CEBDMN O=[N+]([O-])CCN[C@@H]1CCc2c1cccc2Br ZINC000905086168 635800331 /nfs/dbraw/zinc/80/03/31/635800331.db2.gz AQTUPJPKODQBHA-LLVKDONJSA-N 0 1 285.141 2.303 20 5 CEBDMN O=[N+]([O-])CCN[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000905244676 636169532 /nfs/dbraw/zinc/16/95/32/636169532.db2.gz ZFDFAEGJMZLHHW-WDEREUQCSA-N 0 1 285.141 2.171 20 5 CEBDMN C[C@@H](NCC[N+](=O)[O-])[C@H](O)c1c(Cl)cccc1Cl ZINC000905365872 636246557 /nfs/dbraw/zinc/24/65/57/636246557.db2.gz REJQXASGFCQTEY-HQJQHLMTSA-N 0 1 293.150 2.282 20 5 CEBDMN CC(C)O[C@@H]1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000828837383 636694913 /nfs/dbraw/zinc/69/49/13/636694913.db2.gz BSGCKYBQNWNPCG-CABCVRRESA-N 0 1 294.351 2.128 20 5 CEBDMN CO[C@@H]1C[C@H](OC(=O)c2ccc([N+](=O)[O-])[nH]2)C12CCC2 ZINC000835884458 638444164 /nfs/dbraw/zinc/44/41/64/638444164.db2.gz OKBNBMGIDJZYRX-ZJUUUORDSA-N 0 1 280.280 2.037 20 5 CEBDMN CCO[C@@H](CC)C(=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837466041 639240555 /nfs/dbraw/zinc/24/05/55/639240555.db2.gz JMOJRTMFEYSFNT-LBPRGKRZSA-N 0 1 283.280 2.159 20 5 CEBDMN O=C(C[C@H]1CCCCO1)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837571237 639287983 /nfs/dbraw/zinc/28/79/83/639287983.db2.gz RVUMSTRDABAQSP-GFCCVEGCSA-N 0 1 295.291 2.303 20 5 CEBDMN C[C@H]1COCC[C@@H]1C(=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837672591 639336444 /nfs/dbraw/zinc/33/64/44/639336444.db2.gz DWQIJKDRWFFWNH-CABZTGNLSA-N 0 1 295.291 2.016 20 5 CEBDMN CC(C)(C)c1cnc(COC(=O)[C@@H]2CC2[N+](=O)[O-])s1 ZINC000841210210 639708443 /nfs/dbraw/zinc/70/84/43/639708443.db2.gz XSKBJGOQRHXPMG-HTQZYQBOSA-N 0 1 284.337 2.149 20 5 CEBDMN Cc1ccc(CNC[C@@H](O)c2ccc([N+](=O)[O-])cc2)o1 ZINC000113711369 640439654 /nfs/dbraw/zinc/43/96/54/640439654.db2.gz ZPKSEXXAZDFHEL-CQSZACIVSA-N 0 1 276.292 2.319 20 5 CEBDMN CC(=O)C1CCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000846953098 641496787 /nfs/dbraw/zinc/49/67/87/641496787.db2.gz MOUKJONFCLWSBE-UHFFFAOYSA-N 0 1 292.335 2.275 20 5 CEBDMN COCCCCN(CC[N+](=O)[O-])Cc1ccccc1 ZINC000929344559 643457234 /nfs/dbraw/zinc/45/72/34/643457234.db2.gz ZANAQIHFNMGCTB-UHFFFAOYSA-N 0 1 266.341 2.192 20 5 CEBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@@H](C2CCCCC2)C1 ZINC000855637060 644418349 /nfs/dbraw/zinc/41/83/49/644418349.db2.gz SMXWHBCCFSLUMI-JHJVBQTASA-N 0 1 266.341 2.080 20 5 CEBDMN O=C(N[C@@H]1CCc2cc(Cl)ccc21)[C@@H]1CC1[N+](=O)[O-] ZINC000839571427 644746810 /nfs/dbraw/zinc/74/68/10/644746810.db2.gz BJGUBSUCBALHGU-IJLUTSLNSA-N 0 1 280.711 2.109 20 5 CEBDMN CCC[C@H]1CCCC[C@H]1NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839651887 644762739 /nfs/dbraw/zinc/76/27/39/644762739.db2.gz SQSTYVGQYVCJHZ-IRCOFANPSA-N 0 1 254.330 2.127 20 5 CEBDMN C[C@@]1(c2ccccc2)CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839685704 644773280 /nfs/dbraw/zinc/77/32/80/644773280.db2.gz XILGPFWZZMGAGK-IIAWOOMASA-N 0 1 288.347 2.232 20 5 CEBDMN CC[C@@H](C)[C@H]1CCCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839698539 644777171 /nfs/dbraw/zinc/77/71/71/644777171.db2.gz PSJRTGMVNZXZOB-DDHJBXDOSA-N 0 1 254.330 2.079 20 5 CEBDMN C[C@@H]1CN(Cc2ccc(Cl)cc2[N+](=O)[O-])CCN1C ZINC000761075003 645230979 /nfs/dbraw/zinc/23/09/79/645230979.db2.gz ZJFYTMMAQRUEAO-SNVBAGLBSA-N 0 1 283.759 2.384 20 5 CEBDMN O=[N+]([O-])c1cccc([C@H](O)CN2CC[C@H](C(F)F)C2)c1 ZINC000761112971 645243593 /nfs/dbraw/zinc/24/35/93/645243593.db2.gz LUDHVVRRPVPBCJ-CMPLNLGQSA-N 0 1 286.278 2.215 20 5 CEBDMN CCN(CC)C(=O)CN[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000765335226 645758130 /nfs/dbraw/zinc/75/81/30/645758130.db2.gz UAIJIKOBHFDZGU-GFCCVEGCSA-N 0 1 293.367 2.422 20 5 CEBDMN O=C(OCCN1CCCCC1)c1ccc(F)cc1[N+](=O)[O-] ZINC000770396070 646387310 /nfs/dbraw/zinc/38/73/10/646387310.db2.gz IVDWUQXOTOANMD-UHFFFAOYSA-N 0 1 296.298 2.377 20 5 CEBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCC1(C)OCCO1 ZINC000773139796 646709836 /nfs/dbraw/zinc/70/98/36/646709836.db2.gz RMUODZYLYGLQDB-LLVKDONJSA-N 0 1 280.324 2.317 20 5 CEBDMN O=[N+]([O-])c1ccc(CNC[C@H](O)C(F)(F)F)cc1Cl ZINC000783599918 647735719 /nfs/dbraw/zinc/73/57/19/647735719.db2.gz HRYKLCGZKMHSEP-VIFPVBQESA-N 0 1 298.648 2.261 20 5 CEBDMN O=[N+]([O-])CCN1CCC(CN2CCc3ccccc32)CC1 ZINC000791052044 648476342 /nfs/dbraw/zinc/47/63/42/648476342.db2.gz KIHNXJUZHKZOCJ-UHFFFAOYSA-N 0 1 289.379 2.038 20 5 CEBDMN C[C@@H]1C[C@H](C)N1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000791564909 648543810 /nfs/dbraw/zinc/54/38/10/648543810.db2.gz BOYWTISUHRMPNS-GBIKHYSHSA-N 0 1 250.298 2.111 20 5 CEBDMN CC[C@H](O)CNCc1cc([N+](=O)[O-])ccc1Cl ZINC000124389915 649555078 /nfs/dbraw/zinc/55/50/78/649555078.db2.gz RHTNSXKDWSLMLY-JTQLQIEISA-N 0 1 258.705 2.109 20 5 CEBDMN C[C@@]1(C(F)(F)F)CCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000879999798 651371688 /nfs/dbraw/zinc/37/16/88/651371688.db2.gz AZLJCBHWSGTUGT-SNVBAGLBSA-N 0 1 292.261 2.066 20 5 CEBDMN CC(C)(O)[C@@H]1CCN(Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000880145142 651391953 /nfs/dbraw/zinc/39/19/53/651391953.db2.gz HUKZREHIVVSCDI-SNVBAGLBSA-N 0 1 282.315 2.327 20 5 CEBDMN CCN1CC[C@H]1CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000882486573 652099474 /nfs/dbraw/zinc/09/94/74/652099474.db2.gz MBFKSWKYIAWGCF-NSHDSACASA-N 0 1 297.742 2.072 20 5 CEBDMN C[C@@H]1CN(c2ncc(Cl)cc2[N+](=O)[O-])[C@@H](C)CN1C ZINC000408067840 719153659 /nfs/dbraw/zinc/15/36/59/719153659.db2.gz PIKFZQZMMHWWNW-BDAKNGLRSA-N 0 1 284.747 2.172 20 5 CEBDMN Cc1c(C)c(N2C[C@H](C)N(C)C[C@H]2C)ncc1[N+](=O)[O-] ZINC001164642611 719210785 /nfs/dbraw/zinc/21/07/85/719210785.db2.gz WUKLWGUWUNEXQP-VHSXEESVSA-N 0 1 278.356 2.135 20 5 CEBDMN Cc1ccnc(N2CCN(CC(C)C)CC2)c1[N+](=O)[O-] ZINC000265278915 719330767 /nfs/dbraw/zinc/33/07/67/719330767.db2.gz WBBWCQPBOGQPPW-UHFFFAOYSA-N 0 1 278.356 2.076 20 5 CEBDMN C[C@H]1CCC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])[C@H]1C(=O)[O-] ZINC000300293833 802835887 /nfs/dbraw/zinc/83/58/87/802835887.db2.gz HLKHQKXVOKHCSP-TVQRCGJNSA-N 0 1 296.298 2.419 20 5 CEBDMN O=[N+]([O-])c1ccc(O[C@@H]2CN3CCC2CC3)c(F)c1 ZINC001225942739 805385432 /nfs/dbraw/zinc/38/54/32/805385432.db2.gz VKMWVHMBMOECSF-CYBMUJFWSA-N 0 1 266.272 2.207 20 5 CEBDMN CS[C@H]1CC[C@@H](N(C)Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC001119249276 815079730 /nfs/dbraw/zinc/07/97/30/815079730.db2.gz AUNUFBLPBCSDET-MNOVXSKESA-N 0 1 284.385 2.044 20 5 CEBDMN Cc1cc(CNC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)n[nH]1 ZINC000716767871 815145932 /nfs/dbraw/zinc/14/59/32/815145932.db2.gz CILBERZBZHESBR-UHFFFAOYSA-N 0 1 294.698 2.210 20 5 CEBDMN C[C@@H]1CN(Cc2ccc([N+](=O)[O-])c(F)c2)C[C@@H](C)C1O ZINC000700345150 809301457 /nfs/dbraw/zinc/30/14/57/809301457.db2.gz AGMMVAQXZSIUAL-NXEZZACHSA-N 0 1 282.315 2.183 20 5 CEBDMN C[C@@H]1CN(Cc2ccc([N+](=O)[O-])c(F)c2)C[C@H](C)[C@H]1O ZINC000700345148 809302028 /nfs/dbraw/zinc/30/20/28/809302028.db2.gz AGMMVAQXZSIUAL-MSRIBSCDSA-N 0 1 282.315 2.183 20 5 CEBDMN CC(C)c1[nH]nc(C(=O)N2CCC=C(Cl)C2)c1[N+](=O)[O-] ZINC000825339478 810716155 /nfs/dbraw/zinc/71/61/55/810716155.db2.gz JRLHNZOFAQKOFS-UHFFFAOYSA-N 0 1 298.730 2.410 20 5 CEBDMN C[C@H](NC(=O)[C@](C)(N)c1cccc([N+](=O)[O-])c1)C1CCC1 ZINC001122367434 815405447 /nfs/dbraw/zinc/40/54/47/815405447.db2.gz BXVILNMFQQIKGL-ZUZCIYMTSA-N 0 1 291.351 2.074 20 5 CEBDMN CCN1CC[C@@H]1CNC(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000712338635 811198279 /nfs/dbraw/zinc/19/82/79/811198279.db2.gz VLWYKQXPDJVRQT-SECBINFHSA-N 0 1 297.742 2.072 20 5 CEBDMN O=[N+]([O-])C[C@@H]1CC[C@H](N2CCC[C@H]2c2ncccn2)C1 ZINC001169050637 811356828 /nfs/dbraw/zinc/35/68/28/811356828.db2.gz CBYXWAUOBAADDG-AGIUHOORSA-N 0 1 276.340 2.059 20 5 CEBDMN O=[N+]([O-])c1ccc2nc(NCCN3CC=CC3)sc2c1 ZINC001116189221 814839419 /nfs/dbraw/zinc/83/94/19/814839419.db2.gz GIAPGGWOFFRSJL-UHFFFAOYSA-N 0 1 290.348 2.488 20 5 CEBDMN Cc1ccnc(CN[C@@H](C)Cc2ccc([N+](=O)[O-])cc2)n1 ZINC001173212089 815634931 /nfs/dbraw/zinc/63/49/31/815634931.db2.gz WPDMPXBRDCRRNT-LBPRGKRZSA-N 0 1 286.335 2.414 20 5 CEBDMN C[C@H](NCc1ccnc(N)c1)c1ccc([N+](=O)[O-])cc1 ZINC001176037468 816333781 /nfs/dbraw/zinc/33/37/81/816333781.db2.gz VPGAHKVSKLPDIV-JTQLQIEISA-N 0 1 272.308 2.423 20 5 CEBDMN Cc1ccc([C@@H](C)NCC(=O)NC(C)C)cc1[N+](=O)[O-] ZINC000036781461 361857232 /nfs/dbraw/zinc/85/72/32/361857232.db2.gz HPNMARBBNXXDQQ-LLVKDONJSA-N 0 1 279.340 2.078 20 5 CEBDMN Cc1ccc(N2CCN(CC3CC3)CC2)c([N+](=O)[O-])c1 ZINC000080579967 344015215 /nfs/dbraw/zinc/01/52/15/344015215.db2.gz AYOVSDHSLSOHSJ-UHFFFAOYSA-N 0 1 275.352 2.435 20 5 CEBDMN CCOc1cc(N2CCN(C3CC3)CC2)ccc1[N+](=O)[O-] ZINC000080786881 344024512 /nfs/dbraw/zinc/02/45/12/344024512.db2.gz DHQKVYONVBXFEB-UHFFFAOYSA-N 0 1 291.351 2.278 20 5 CEBDMN O=C([O-])C[C@H]1CCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000042163513 362063608 /nfs/dbraw/zinc/06/36/08/362063608.db2.gz XTAGCVMUFMYBEQ-CYBMUJFWSA-N 0 1 278.308 2.076 20 5 CEBDMN CC[C@@H](NCc1ccc([N+](=O)[O-])cc1F)[C@@H](O)C(F)F ZINC000449420746 282228866 /nfs/dbraw/zinc/22/88/66/282228866.db2.gz GLDNQNIVODONNC-GHMZBOCLSA-N 0 1 292.257 2.228 20 5 CEBDMN O=c1c2c([nH]n1-c1cccc([N+](=O)[O-])c1)CCSC2 ZINC000601933340 346930346 /nfs/dbraw/zinc/93/03/46/346930346.db2.gz YVDLQJMERXWHAE-JTQLQIEISA-N 0 1 277.305 2.051 20 5 CEBDMN O=[N+]([O-])c1cc(CNC[C@@H]2CCCCO2)cs1 ZINC000042817425 362121765 /nfs/dbraw/zinc/12/17/65/362121765.db2.gz OSTQZTGZVSOOBP-JTQLQIEISA-N 0 1 256.327 2.315 20 5 CEBDMN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC(O)CC1 ZINC000026859295 343391110 /nfs/dbraw/zinc/39/11/10/343391110.db2.gz XTRXXCVKGQGLIF-SNVBAGLBSA-N 0 1 250.298 2.113 20 5 CEBDMN Cc1c(OCc2nc(C(C)(C)N)no2)cccc1[N+](=O)[O-] ZINC000043402667 343463697 /nfs/dbraw/zinc/46/36/97/343463697.db2.gz PEHWWYXHISQOLQ-UHFFFAOYSA-N 0 1 292.295 2.059 20 5 CEBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@H]1c1ccccc1 ZINC000047271489 343513212 /nfs/dbraw/zinc/51/32/12/343513212.db2.gz ZHBJAYMPHUZYCS-AGIUHOORSA-N 0 1 260.293 2.015 20 5 CEBDMN CN1CCC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000048752174 343532554 /nfs/dbraw/zinc/53/25/54/343532554.db2.gz DXHNYQJOHSKCGE-SECBINFHSA-N 0 1 297.742 2.072 20 5 CEBDMN Cc1cnc(-c2cccc(NC(=O)[C@H]3C[C@H]3[N+](=O)[O-])c2)o1 ZINC000066809177 343722156 /nfs/dbraw/zinc/72/21/56/343722156.db2.gz QNFCKVTZSWUZCV-NWDGAFQWSA-N 0 1 287.275 2.254 20 5 CEBDMN O=C([C@@H]1C[C@H]1c1cnc[nH]1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000602047783 346966386 /nfs/dbraw/zinc/96/63/86/346966386.db2.gz XIMFVRYRBLTLMZ-VXGBXAGGSA-N 0 1 298.302 2.011 20 5 CEBDMN Cc1cc(NC[C@H](C)CN2CCOCC2)ccc1[N+](=O)[O-] ZINC000077995523 343939157 /nfs/dbraw/zinc/93/91/57/343939157.db2.gz MZFVLSWSGFSDMB-LBPRGKRZSA-N 0 1 293.367 2.283 20 5 CEBDMN CCN(CCc1cccs1)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602451177 347038187 /nfs/dbraw/zinc/03/81/87/347038187.db2.gz ZIURCQQRCHHNAF-UHFFFAOYSA-N 0 1 294.380 2.454 20 5 CEBDMN Cc1noc(C(C)(C)NCCc2ccc([N+](=O)[O-])cc2)n1 ZINC000284739952 344678451 /nfs/dbraw/zinc/67/84/51/344678451.db2.gz KWKIXEXHLFPVHG-UHFFFAOYSA-N 0 1 290.323 2.354 20 5 CEBDMN C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](C(=O)[O-])[C@H]1C ZINC000252607275 344640583 /nfs/dbraw/zinc/64/05/83/344640583.db2.gz RGRFDOIHYWSSOG-GIPNMCIBSA-N 0 1 278.308 2.451 20 5 CEBDMN COC(C)(C)CNCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602563474 347079542 /nfs/dbraw/zinc/07/95/42/347079542.db2.gz WRIDJRKVHGVVKK-UHFFFAOYSA-N 0 1 279.296 2.251 20 5 CEBDMN C[C@@]1(CNCc2nc3cc([N+](=O)[O-])ccc3o2)CCCO1 ZINC000602576482 347085497 /nfs/dbraw/zinc/08/54/97/347085497.db2.gz OEDNMCRABRRDIV-AWEZNQCLSA-N 0 1 291.307 2.395 20 5 CEBDMN Cc1cc(CNc2c(F)cccc2[N+](=O)[O-])n[nH]1 ZINC000587978297 345032302 /nfs/dbraw/zinc/03/23/02/345032302.db2.gz KWLJAEMJDZXWGG-UHFFFAOYSA-N 0 1 250.233 2.378 20 5 CEBDMN Cc1c(Cc2nc([C@@H]3CCCN3)no2)cccc1[N+](=O)[O-] ZINC000592357011 345345157 /nfs/dbraw/zinc/34/51/57/345345157.db2.gz MJNYQIPWUMUXIF-NSHDSACASA-N 0 1 288.307 2.302 20 5 CEBDMN Cc1nc(CSCc2cc(O)ccc2[N+](=O)[O-])no1 ZINC000593187118 345451610 /nfs/dbraw/zinc/45/16/10/345451610.db2.gz FXLRRFBRCWOBOG-UHFFFAOYSA-N 0 1 281.293 2.425 20 5 CEBDMN CC[C@H](C(=O)[O-])[N@@H+](C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000593332399 345468087 /nfs/dbraw/zinc/46/80/87/345468087.db2.gz MHBLJMYWTTZIGX-XYLWRLHESA-N 0 1 278.308 2.403 20 5 CEBDMN CNC(C)(C)c1cn(-c2ccc(Cl)cc2[N+](=O)[O-])nn1 ZINC000594651831 345667178 /nfs/dbraw/zinc/66/71/78/345667178.db2.gz ICUYEJVEKQPLIS-UHFFFAOYSA-N 0 1 295.730 2.283 20 5 CEBDMN CC[C@H]1C[C@@H](NCc2cc([N+](=O)[O-])ccc2OC)CO1 ZINC000594920960 345702559 /nfs/dbraw/zinc/70/25/59/345702559.db2.gz NHOHMCDOKAQAHL-YPMHNXCESA-N 0 1 280.324 2.261 20 5 CEBDMN O=[N+]([O-])c1ccccc1CNCCO[C@@H]1CC1(F)F ZINC000594971171 345719560 /nfs/dbraw/zinc/71/95/60/345719560.db2.gz XLNSKMZAYUDZDC-LLVKDONJSA-N 0 1 272.251 2.109 20 5 CEBDMN Cc1noc(CN2CCC[C@H]([C@@H]3CCOC3)C2)c1[N+](=O)[O-] ZINC000595388989 345772244 /nfs/dbraw/zinc/77/22/44/345772244.db2.gz JXYHUTFMQCJPCQ-NWDGAFQWSA-N 0 1 295.339 2.140 20 5 CEBDMN Cc1noc(CN[C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)c1[N+](=O)[O-] ZINC000595510891 345800098 /nfs/dbraw/zinc/80/00/98/345800098.db2.gz DPUSTUUUINIDPA-ZWKOPEQDSA-N 0 1 295.339 2.184 20 5 CEBDMN C[C@]12COC[C@H]1CN(Cc1ccc([N+](=O)[O-])cc1F)C2 ZINC000595757376 345868465 /nfs/dbraw/zinc/86/84/65/345868465.db2.gz JENHJYGREWHHHS-RISCZKNCSA-N 0 1 280.299 2.202 20 5 CEBDMN COCCN1CC[C@H](Nc2cc(C)sc2[N+](=O)[O-])C1 ZINC000596121077 345944520 /nfs/dbraw/zinc/94/45/20/345944520.db2.gz JXRAGGCBYIEQGG-JTQLQIEISA-N 0 1 285.369 2.097 20 5 CEBDMN COc1cc(CN2CC[C@@H]3C[C@@H]3C2)c([N+](=O)[O-])cc1OC ZINC000597223404 346153827 /nfs/dbraw/zinc/15/38/27/346153827.db2.gz NOVPNJHNGWUAMF-GHMZBOCLSA-N 0 1 292.335 2.454 20 5 CEBDMN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)[C@H](C)N(C)C ZINC000597669926 346213848 /nfs/dbraw/zinc/21/38/48/346213848.db2.gz XBDSWHZEZWEQOC-JTQLQIEISA-N 0 1 265.313 2.100 20 5 CEBDMN COc1cc(CN2CC[C@@H](C)[C@@H](CO)C2)ccc1[N+](=O)[O-] ZINC000598649147 346393138 /nfs/dbraw/zinc/39/31/38/346393138.db2.gz WPUSZKJMHNKURK-DGCLKSJQSA-N 0 1 294.351 2.054 20 5 CEBDMN O=[N+]([O-])c1ccc(O)cc1Cn1ccnc1C1CC1 ZINC000600611656 346661888 /nfs/dbraw/zinc/66/18/88/346661888.db2.gz SSKOCIUPMLYXHZ-UHFFFAOYSA-N 0 1 259.265 2.423 20 5 CEBDMN O=[N+]([O-])c1ccc(-c2ccc([C@@H]3COCCN3)cc2)cn1 ZINC000600790256 346690763 /nfs/dbraw/zinc/69/07/63/346690763.db2.gz ZVEGMQDLOLIZSQ-AWEZNQCLSA-N 0 1 285.303 2.318 20 5 CEBDMN CN(Cc1cn(C)nc1[N+](=O)[O-])[C@@H]1CCC(C)(C)C1 ZINC000602646470 347122231 /nfs/dbraw/zinc/12/22/31/347122231.db2.gz ZDRRYTVYDPXIDG-LLVKDONJSA-N 0 1 266.345 2.339 20 5 CEBDMN C[C@H]1C[C@@H](NCCc2ccc([N+](=O)[O-])cc2)c2ncnn21 ZINC000602705483 347160200 /nfs/dbraw/zinc/16/02/00/347160200.db2.gz GNOSLCOMMGRHSY-GXFFZTMASA-N 0 1 287.323 2.024 20 5 CEBDMN Cc1cc(CN[C@H](C)c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000608982478 347624917 /nfs/dbraw/zinc/62/49/17/347624917.db2.gz MYSPZHBXUIEUJG-SNVBAGLBSA-N 0 1 260.297 2.477 20 5 CEBDMN Cc1cc(CN[C@H](C)c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000608982478 347624919 /nfs/dbraw/zinc/62/49/19/347624919.db2.gz MYSPZHBXUIEUJG-SNVBAGLBSA-N 0 1 260.297 2.477 20 5 CEBDMN CCN(CCn1ccc([N+](=O)[O-])n1)CCC(F)(F)F ZINC000610485002 347684535 /nfs/dbraw/zinc/68/45/35/347684535.db2.gz FPIYCPGLHLAMBA-UHFFFAOYSA-N 0 1 280.250 2.066 20 5 CEBDMN C[C@H]1[C@H](C)N(c2ncc(Cl)cc2[N+](=O)[O-])CCN1C ZINC000611298930 347764899 /nfs/dbraw/zinc/76/48/99/347764899.db2.gz CAZDFYBRJCPPLG-IUCAKERBSA-N 0 1 284.747 2.172 20 5 CEBDMN CCOc1cc(N2CCc3cn[nH]c3C2)ccc1[N+](=O)[O-] ZINC000611298511 347765008 /nfs/dbraw/zinc/76/50/08/347765008.db2.gz PXMYAFZOHHZJBL-UHFFFAOYSA-N 0 1 288.307 2.279 20 5 CEBDMN Cc1ccc2c(c1)[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])CC2 ZINC000611204396 347750883 /nfs/dbraw/zinc/75/08/83/347750883.db2.gz VAUSWUIFLQOQKZ-NSHDSACASA-N 0 1 286.291 2.044 20 5 CEBDMN O=C([O-])C[C@@H]1CCCC[N@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000086775252 179327310 /nfs/dbraw/zinc/32/73/10/179327310.db2.gz LOPAGOILROJJTM-JTQLQIEISA-N 0 1 284.337 2.486 20 5 CEBDMN Cc1cc(CNC(=O)Nc2ccc([N+](=O)[O-])cc2C)n[nH]1 ZINC000615035388 348270544 /nfs/dbraw/zinc/27/05/44/348270544.db2.gz FVYKQHKCWCXWPJ-UHFFFAOYSA-N 0 1 289.295 2.256 20 5 CEBDMN COCCN(Cc1ccc([N+](=O)[O-])c(OC)c1)C1CC1 ZINC000351971097 219270476 /nfs/dbraw/zinc/27/04/76/219270476.db2.gz OPFCOXJHDGNWPN-UHFFFAOYSA-N 0 1 280.324 2.214 20 5 CEBDMN O=C(NCC1(C(F)F)CC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000352129194 219331527 /nfs/dbraw/zinc/33/15/27/219331527.db2.gz OGKAWNQDCURKRV-UHFFFAOYSA-N 0 1 286.234 2.076 20 5 CEBDMN CN(Cc1cccc([N+](=O)[O-])c1)[C@@H]1CCCOC1 ZINC000352186268 219351283 /nfs/dbraw/zinc/35/12/83/219351283.db2.gz KNNMDMCLUPCHKI-CYBMUJFWSA-N 0 1 250.298 2.206 20 5 CEBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@@H](C)[C@H](C)C1 ZINC000072869476 363174172 /nfs/dbraw/zinc/17/41/72/363174172.db2.gz JTPZHLCAAKDTPL-VXGBXAGGSA-N 0 1 291.351 2.430 20 5 CEBDMN C[C@H]1OCC[C@]1(C)NCc1c(F)cccc1[N+](=O)[O-] ZINC000494238304 290963849 /nfs/dbraw/zinc/96/38/49/290963849.db2.gz PXVZHEGYQGGQCV-RNCFNFMXSA-N 0 1 268.288 2.391 20 5 CEBDMN CC(C)CC(C)(C)CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000152454547 188019999 /nfs/dbraw/zinc/01/99/99/188019999.db2.gz MDWMRJJMYUKGLV-UHFFFAOYSA-N 0 1 268.317 2.120 20 5 CEBDMN COc1ccc([N+](=O)[O-])cc1CN1CCC[C@H]1C[C@H](C)O ZINC000152652748 188034946 /nfs/dbraw/zinc/03/49/46/188034946.db2.gz WRBLERNRVNJKRS-AAEUAGOBSA-N 0 1 294.351 2.339 20 5 CEBDMN Cc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@H]1CCCN(C)C1 ZINC000153849734 188108223 /nfs/dbraw/zinc/10/82/23/188108223.db2.gz CGKFKNIVZYGHBJ-ZDUSSCGKSA-N 0 1 291.351 2.069 20 5 CEBDMN COc1cc(CN2CC[C@H](OC)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000451563666 283036498 /nfs/dbraw/zinc/03/64/98/283036498.db2.gz JYMJCNZJJRNIEI-FZMZJTMJSA-N 0 1 294.351 2.460 20 5 CEBDMN C[C@@H]1CCC(C)(C)N1Cc1c([N+](=O)[O-])ncn1C ZINC000452013810 283160984 /nfs/dbraw/zinc/16/09/84/283160984.db2.gz TWYXKYZBLTUGJD-SECBINFHSA-N 0 1 252.318 2.091 20 5 CEBDMN Cc1nccc(CN(C)CCc2cccc([N+](=O)[O-])c2)n1 ZINC000338350928 366311052 /nfs/dbraw/zinc/31/10/52/366311052.db2.gz QONXBFMWSTZHQQ-UHFFFAOYSA-N 0 1 286.335 2.368 20 5 CEBDMN Cc1ccc(CN[C@H](C)C(=O)N2CCCC2)cc1[N+](=O)[O-] ZINC000134590043 366343997 /nfs/dbraw/zinc/34/39/97/366343997.db2.gz PWIBNHSERDOHQG-GFCCVEGCSA-N 0 1 291.351 2.004 20 5 CEBDMN CC(C)N1CC[C@H](N[C@H](C)c2cccc([N+](=O)[O-])c2)C1=O ZINC000081181402 363704241 /nfs/dbraw/zinc/70/42/41/363704241.db2.gz ZGQCPAVBEMFPRM-RISCZKNCSA-N 0 1 291.351 2.255 20 5 CEBDMN O=[N+]([O-])c1ccc([O-])cc1C[N@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000339050186 366630366 /nfs/dbraw/zinc/63/03/66/366630366.db2.gz FVTBMLXENPDABB-NWDGAFQWSA-N 0 1 292.335 2.159 20 5 CEBDMN O=[N+]([O-])c1ccc(O)cc1CN1CCC[C@@H]1c1cc[nH]n1 ZINC000339133769 366668669 /nfs/dbraw/zinc/66/86/69/366668669.db2.gz OUWFJNRFUIKEDN-CQSZACIVSA-N 0 1 288.307 2.361 20 5 CEBDMN O=C([O-])[C@H]1CCCC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000003756186 361290768 /nfs/dbraw/zinc/29/07/68/361290768.db2.gz OWNCQZHGAGEWBJ-GFCCVEGCSA-N 0 1 264.281 2.034 20 5 CEBDMN CCCCN(C)CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000023991606 361604497 /nfs/dbraw/zinc/60/44/97/361604497.db2.gz CPLREHMCCWOAGH-UHFFFAOYSA-N 0 1 295.339 2.274 20 5 CEBDMN Cc1ccnc(NCCN2CC=C(C)CC2)c1[N+](=O)[O-] ZINC000302155150 201370811 /nfs/dbraw/zinc/37/08/11/201370811.db2.gz NFBVANUVEOQHOR-UHFFFAOYSA-N 0 1 276.340 2.362 20 5 CEBDMN Cc1sc(C(=O)N(C)CCN2CCCC2)cc1[N+](=O)[O-] ZINC000103117863 364627917 /nfs/dbraw/zinc/62/79/17/364627917.db2.gz NMYBJXZCXKNNFB-UHFFFAOYSA-N 0 1 297.380 2.133 20 5 CEBDMN CC1(C)CN(Cc2ccccc2[N+](=O)[O-])CC[C@@H]1O ZINC000275376445 193013164 /nfs/dbraw/zinc/01/31/64/193013164.db2.gz ABGVKAFSHXHWKZ-ZDUSSCGKSA-N 0 1 264.325 2.188 20 5 CEBDMN C[C@@H](O)[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000162864158 367197426 /nfs/dbraw/zinc/19/74/26/367197426.db2.gz QXNZPQOZKVCYQA-NXEZZACHSA-N 0 1 284.743 2.451 20 5 CEBDMN O=C(c1ccn[nH]1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000163753124 367263324 /nfs/dbraw/zinc/26/33/24/367263324.db2.gz FPAVIJSCXWZWQG-UHFFFAOYSA-N 0 1 286.291 2.123 20 5 CEBDMN COC(=O)[C@H](C)CN(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000171301562 367519114 /nfs/dbraw/zinc/51/91/14/367519114.db2.gz RWQSAGONUXRLDT-LLVKDONJSA-N 0 1 292.335 2.368 20 5 CEBDMN CCN1CCN(c2ccc(F)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000343275326 367739463 /nfs/dbraw/zinc/73/94/63/367739463.db2.gz TWPWIKNOLMCYBE-SNVBAGLBSA-N 0 1 267.304 2.264 20 5 CEBDMN O=[N+]([O-])c1c(NCCN2CCC2)ccc2ncccc21 ZINC000343435742 367813900 /nfs/dbraw/zinc/81/39/00/367813900.db2.gz BPXLBJRJSTZMST-UHFFFAOYSA-N 0 1 272.308 2.261 20 5 CEBDMN Cc1sc(C(=O)N[C@H]2CCCN(C)[C@H]2C)cc1[N+](=O)[O-] ZINC000343542539 367873766 /nfs/dbraw/zinc/87/37/66/367873766.db2.gz YHDQBHBYSWWNCI-WPRPVWTQSA-N 0 1 297.380 2.177 20 5 CEBDMN C[C@@H](NC[C@H](O)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000173345125 367899155 /nfs/dbraw/zinc/89/91/55/367899155.db2.gz CJFXJWQURPMQSZ-XCBNKYQSSA-N 0 1 278.230 2.169 20 5 CEBDMN O=[N+]([O-])c1ccc(F)cc1CN1CC[C@@]2(CCOC2)C1 ZINC000176313080 368223896 /nfs/dbraw/zinc/22/38/96/368223896.db2.gz HYLFRHYTNNJPLC-CQSZACIVSA-N 0 1 280.299 2.346 20 5 CEBDMN CC[C@@H](C)NC(=O)CN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000181826340 368497546 /nfs/dbraw/zinc/49/75/46/368497546.db2.gz QYMCQIDJWBJYCS-NEPJUHHUSA-N 0 1 293.367 2.469 20 5 CEBDMN CCc1[nH]nc(C(=O)N2CCC[C@@H]3CCC[C@@H]32)c1[N+](=O)[O-] ZINC000185740366 368852478 /nfs/dbraw/zinc/85/24/78/368852478.db2.gz UXIUWYFJYZDWOI-ONGXEEELSA-N 0 1 292.339 2.285 20 5 CEBDMN CC(C)(C)C(C)(C)CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000348428918 369043894 /nfs/dbraw/zinc/04/38/94/369043894.db2.gz PJOOIWMYWSCTQY-UHFFFAOYSA-N 0 1 268.317 2.120 20 5 CEBDMN COCCO[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000188829590 369415527 /nfs/dbraw/zinc/41/55/27/369415527.db2.gz MUSVXZQXUOPJFS-HNNXBMFYSA-N 0 1 294.351 2.141 20 5 CEBDMN COCCO[C@H]1CCN(Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000188829590 369415531 /nfs/dbraw/zinc/41/55/31/369415531.db2.gz MUSVXZQXUOPJFS-HNNXBMFYSA-N 0 1 294.351 2.141 20 5 CEBDMN CC[C@@]1(CO)CCC[N@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000189667071 369555329 /nfs/dbraw/zinc/55/53/29/369555329.db2.gz UNQZPGRLTOGNGR-LBPRGKRZSA-N 0 1 270.354 2.393 20 5 CEBDMN CC[C@@]1(CO)CCCN1Cc1csc([N+](=O)[O-])c1 ZINC000189667071 369555334 /nfs/dbraw/zinc/55/53/34/369555334.db2.gz UNQZPGRLTOGNGR-LBPRGKRZSA-N 0 1 270.354 2.393 20 5 CEBDMN COC(=O)[C@H]1CCN(Cc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000191806415 369744944 /nfs/dbraw/zinc/74/49/44/369744944.db2.gz IYPXUUXOZSYKCB-AAEUAGOBSA-N 0 1 292.335 2.226 20 5 CEBDMN CC(C)[N@@H+](C)CCNc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000211849946 370163094 /nfs/dbraw/zinc/16/30/94/370163094.db2.gz JYVISTBFYQYKAF-UHFFFAOYSA-N 0 1 281.312 2.045 20 5 CEBDMN C[C@@H]1CN(CCn2cc([N+](=O)[O-])cn2)[C@H]1c1ccccc1 ZINC000248369647 371181841 /nfs/dbraw/zinc/18/18/41/371181841.db2.gz WMXMVEULOGYVNE-IUODEOHRSA-N 0 1 286.335 2.484 20 5 CEBDMN C[C@H]1CN(Cc2c([N+](=O)[O-])ncn2C)CC(C)(C)C1 ZINC000344027253 217014499 /nfs/dbraw/zinc/01/44/99/217014499.db2.gz KTEFTTSVUSFCOH-SNVBAGLBSA-N 0 1 266.345 2.196 20 5 CEBDMN CC[C@H](C)CN(CC)Cc1c([N+](=O)[O-])ncn1C ZINC000361336772 371791236 /nfs/dbraw/zinc/79/12/36/371791236.db2.gz OUMIZOGECRVCLA-JTQLQIEISA-N 0 1 254.334 2.196 20 5 CEBDMN O=[N+]([O-])c1ccn(CCN2CC[C@H]2c2ccccc2)n1 ZINC000361399887 371828713 /nfs/dbraw/zinc/82/87/13/371828713.db2.gz JZIHPVSNVGQERO-ZDUSSCGKSA-N 0 1 272.308 2.238 20 5 CEBDMN C[C@@H]1CN(Cc2c(Cl)cccc2[N+](=O)[O-])C[C@H]1CO ZINC000362091018 372215325 /nfs/dbraw/zinc/21/53/25/372215325.db2.gz QZJPQHGGVRSAHT-ZJUUUORDSA-N 0 1 284.743 2.308 20 5 CEBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1C[C@H](C)[C@@H](C)C1 ZINC000362447553 372365820 /nfs/dbraw/zinc/36/58/20/372365820.db2.gz LJAZNDROBYBGRE-RYUDHWBXSA-N 0 1 291.351 2.430 20 5 CEBDMN CC(C)c1[nH]nc(C(=O)N2C[C@@H]3[C@H](C2)C3(C)C)c1[N+](=O)[O-] ZINC000269530923 372480334 /nfs/dbraw/zinc/48/03/34/372480334.db2.gz SDMGAEBZQISJOM-DTORHVGOSA-N 0 1 292.339 2.169 20 5 CEBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@@H](CC2CCCC2)C1 ZINC000364592086 372762981 /nfs/dbraw/zinc/76/29/81/372762981.db2.gz QMMCZCYORWOFJN-YNEHKIRRSA-N 0 1 266.341 2.080 20 5 CEBDMN Cc1nc([C@H]2CCCN(c3ccc([N+](=O)[O-])cc3)C2)n[nH]1 ZINC000271642762 373198699 /nfs/dbraw/zinc/19/86/99/373198699.db2.gz QADXXDYTMKDQIN-NSHDSACASA-N 0 1 287.323 2.405 20 5 CEBDMN Cc1nnc([C@H]2CCCN(c3ccc([N+](=O)[O-])cc3)C2)[nH]1 ZINC000271642762 373198702 /nfs/dbraw/zinc/19/87/02/373198702.db2.gz QADXXDYTMKDQIN-NSHDSACASA-N 0 1 287.323 2.405 20 5 CEBDMN COC[C@@H]1CCN(Cc2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC000274298122 373870728 /nfs/dbraw/zinc/87/07/28/373870728.db2.gz IUNOITNHSGJLAQ-SNVBAGLBSA-N 0 1 298.314 2.211 20 5 CEBDMN CCc1[nH]nc(C(=O)N2CCC23CCCCC3)c1[N+](=O)[O-] ZINC000373070350 374259581 /nfs/dbraw/zinc/25/95/81/374259581.db2.gz NNIJGIGJXOOUFT-UHFFFAOYSA-N 0 1 292.339 2.429 20 5 CEBDMN C[C@@]1(O)CCCN(Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000280028411 375067116 /nfs/dbraw/zinc/06/71/16/375067116.db2.gz KUVMYRICSKAVTQ-CQSZACIVSA-N 0 1 282.315 2.471 20 5 CEBDMN C[C@@H]1C[C@H](C)CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000408377295 375465206 /nfs/dbraw/zinc/46/52/06/375465206.db2.gz ZVXYCBJWHCLDDD-AOOOYVTPSA-N 0 1 278.308 2.419 20 5 CEBDMN C[C@@H]1C[C@H](N(C)c2ncc([N+](=O)[O-])cc2F)CC[N@H+]1C ZINC000408464796 375488008 /nfs/dbraw/zinc/48/80/08/375488008.db2.gz FTUBZRASCVIVHY-NXEZZACHSA-N 0 1 282.319 2.048 20 5 CEBDMN CCN(C(=O)c1n[nH]c(C)c1[N+](=O)[O-])[C@H](C)C(C)C ZINC000558425132 376608147 /nfs/dbraw/zinc/60/81/47/376608147.db2.gz QVOAWNLVAHNCBC-SECBINFHSA-N 0 1 268.317 2.133 20 5 CEBDMN COc1cc([N+](=O)[O-])ccc1CN1C[C@H](C)C[C@@H](CO)C1 ZINC000420946965 376745643 /nfs/dbraw/zinc/74/56/43/376745643.db2.gz SRBNBTWYAFPLHE-VXGBXAGGSA-N 0 1 294.351 2.054 20 5 CEBDMN Cc1[nH]nc(C(=O)N2CC3(CCC3)[C@H]2C2CC2)c1[N+](=O)[O-] ZINC000291168437 377101224 /nfs/dbraw/zinc/10/12/24/377101224.db2.gz RMBGBGPHVFFJLS-GFCCVEGCSA-N 0 1 290.323 2.031 20 5 CEBDMN CCC[C@@H](N[C@@H]1COC[C@H]1OC)c1cccc([N+](=O)[O-])c1 ZINC000574399470 299491872 /nfs/dbraw/zinc/49/18/72/299491872.db2.gz ACSVQZHPQDTGHL-RBSFLKMASA-N 0 1 294.351 2.439 20 5 CEBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+](C)CCC(=O)[O-] ZINC000565254578 377627641 /nfs/dbraw/zinc/62/76/41/377627641.db2.gz QBQZTOVDMDWGRP-SNVBAGLBSA-N 0 1 266.297 2.371 20 5 CEBDMN CCN(CC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000295373545 378126560 /nfs/dbraw/zinc/12/65/60/378126560.db2.gz OXFRCGJKFXRRBJ-NSHDSACASA-N 0 1 291.351 2.256 20 5 CEBDMN CCN1C[C@H](C)N(C(=O)c2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000346767173 218009203 /nfs/dbraw/zinc/00/92/03/218009203.db2.gz ICHYBQHXXXEYEL-NEPJUHHUSA-N 0 1 291.351 2.150 20 5 CEBDMN Cc1[nH]nc(C(=O)N2CCC[C@@H]3CCC[C@@H]32)c1[N+](=O)[O-] ZINC000266260840 190243907 /nfs/dbraw/zinc/24/39/07/190243907.db2.gz VAAKVHJLFSNFGE-UWVGGRQHSA-N 0 1 278.312 2.031 20 5 CEBDMN CN(Cc1nnc[nH]1)c1ccc([N+](=O)[O-])cc1Cl ZINC000301341855 379262058 /nfs/dbraw/zinc/26/20/58/379262058.db2.gz GRRSJJDJJGBTHA-UHFFFAOYSA-N 0 1 267.676 2.003 20 5 CEBDMN CCOc1ccc([N+](=O)[O-])cc1CN(C)CC[C@@H](C)O ZINC000267031125 190298355 /nfs/dbraw/zinc/29/83/55/190298355.db2.gz MQWJUVLUFWCPBG-LLVKDONJSA-N 0 1 282.340 2.196 20 5 CEBDMN COc1ccc(CN2CCC[C@@H](C)[C@@H]2CO)cc1[N+](=O)[O-] ZINC000305249082 379696851 /nfs/dbraw/zinc/69/68/51/379696851.db2.gz IRPBTUXIUILYMT-RISCZKNCSA-N 0 1 294.351 2.196 20 5 CEBDMN O=[N+]([O-])c1ccc2c(c1)CN(C[C@@H]1CCCOC1)CCO2 ZINC000352703231 285142063 /nfs/dbraw/zinc/14/20/63/285142063.db2.gz AJABPSXVCVLNHA-LBPRGKRZSA-N 0 1 292.335 2.216 20 5 CEBDMN C[C@H]1C[C@@H](CO)CCN1Cc1cccc([N+](=O)[O-])c1 ZINC000289042552 197220125 /nfs/dbraw/zinc/22/01/25/197220125.db2.gz PTOYFSCYAOJJSW-AAEUAGOBSA-N 0 1 264.325 2.188 20 5 CEBDMN O=[N+]([O-])c1cc(CNCCOCC(F)F)cs1 ZINC000190895222 130159539 /nfs/dbraw/zinc/15/95/39/130159539.db2.gz FOAKGJWRKHIWDZ-UHFFFAOYSA-N 0 1 266.269 2.028 20 5 CEBDMN CO[C@@H](C)CNCc1cc([N+](=O)[O-])ccc1Cl ZINC000191206193 130201947 /nfs/dbraw/zinc/20/19/47/130201947.db2.gz FPNXUENKTKSNLL-QMMMGPOBSA-N 0 1 258.705 2.373 20 5 CEBDMN Cc1nc([C@@H](C)Sc2ncccc2[N+](=O)[O-])n[nH]1 ZINC000412987201 394451950 /nfs/dbraw/zinc/45/19/50/394451950.db2.gz AQPXLYDXQIHRQZ-ZCFIWIBFSA-N 0 1 265.298 2.270 20 5 CEBDMN O=[N+]([O-])c1ccc(NCCN2CCC2)cc1OC(F)F ZINC000356749970 394601326 /nfs/dbraw/zinc/60/13/26/394601326.db2.gz YGZDCNWJMOUDLD-UHFFFAOYSA-N 0 1 287.266 2.314 20 5 CEBDMN C[C@@H](O)CCN(C)[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000266561553 394666683 /nfs/dbraw/zinc/66/66/83/394666683.db2.gz XTOVIYQZVVQSEC-GHMZBOCLSA-N 0 1 252.314 2.359 20 5 CEBDMN CO[C@@H](C)CN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)C(C)C ZINC000356831088 394625089 /nfs/dbraw/zinc/62/50/89/394625089.db2.gz QLFKWQFEOABOJY-JTQLQIEISA-N 0 1 296.323 2.186 20 5 CEBDMN C[C@@H]1[C@@H](C)N(Cc2ccc([N+](=O)[O-])cc2F)CCN1C ZINC000357008828 394680063 /nfs/dbraw/zinc/68/00/63/394680063.db2.gz VDHQVWHWZVCJJZ-GHMZBOCLSA-N 0 1 281.331 2.258 20 5 CEBDMN Cc1n[nH]c(C(F)F)c1NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000358351424 394718703 /nfs/dbraw/zinc/71/87/03/394718703.db2.gz JXJDMVNFXWXLCU-UHFFFAOYSA-N 0 1 286.194 2.409 20 5 CEBDMN CCn1c(C)nc([N+](=O)[O-])c1N1C[C@H](C)N(CC)C[C@H]1C ZINC000361040730 394812684 /nfs/dbraw/zinc/81/26/84/394812684.db2.gz ARCYHHKFAJBHFH-WDEREUQCSA-N 0 1 295.387 2.039 20 5 CEBDMN Cc1cc(N2C[C@@H](O)C3(CC3)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000364423983 394900483 /nfs/dbraw/zinc/90/04/83/394900483.db2.gz YHQLEACAVDVPQA-OAHLLOKOSA-N 0 1 299.330 2.413 20 5 CEBDMN O=C(NC[C@H]1CC12CC2)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000416049150 395003034 /nfs/dbraw/zinc/00/30/34/395003034.db2.gz OUFXOELPMABFKR-MRVPVSSYSA-N 0 1 286.291 2.001 20 5 CEBDMN Cc1cc([N+](=O)[O-])ccc1N1CCC[C@@H](c2nc[nH]n2)C1 ZINC000370845167 395017297 /nfs/dbraw/zinc/01/72/97/395017297.db2.gz YNMGEGRUEXDOEI-LLVKDONJSA-N 0 1 287.323 2.405 20 5 CEBDMN CC[C@H]1CCCC[C@@H]1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000135837945 394967734 /nfs/dbraw/zinc/96/77/34/394967734.db2.gz OQNGXQGCCYGVNT-IUCAKERBSA-N 0 1 266.301 2.017 20 5 CEBDMN CC[C@H](CO)N(C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000345839283 395079989 /nfs/dbraw/zinc/07/99/89/395079989.db2.gz PXUVNRKQRRHUPT-LLVKDONJSA-N 0 1 272.732 2.451 20 5 CEBDMN COc1cc([N+](=O)[O-])ccc1CN1[C@@H](CO)CCC[C@@H]1C ZINC000430212876 395163568 /nfs/dbraw/zinc/16/35/68/395163568.db2.gz QUXHSXNZTLORFZ-SMDDNHRTSA-N 0 1 294.351 2.339 20 5 CEBDMN Cc1nnc(NC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)[nH]1 ZINC000189705771 395331126 /nfs/dbraw/zinc/33/11/26/395331126.db2.gz SOPKYIBXGFKTAW-UHFFFAOYSA-N 0 1 289.295 2.397 20 5 CEBDMN Cc1n[nH]c(NC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)n1 ZINC000189705771 395331128 /nfs/dbraw/zinc/33/11/28/395331128.db2.gz SOPKYIBXGFKTAW-UHFFFAOYSA-N 0 1 289.295 2.397 20 5 CEBDMN COC[C@]1(C)CCN(Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000451197673 395593060 /nfs/dbraw/zinc/59/30/60/395593060.db2.gz AMMCUIMKNZKJHC-OAHLLOKOSA-N 0 1 294.351 2.462 20 5 CEBDMN Cc1ccc(CN[C@@H](C)c2cn[nH]c2)cc1[N+](=O)[O-] ZINC000229885153 153375709 /nfs/dbraw/zinc/37/57/09/153375709.db2.gz JJGGCNBUBMRDLF-JTQLQIEISA-N 0 1 260.297 2.477 20 5 CEBDMN Cc1ccc([N+](=O)[O-])c(N2C[C@H](C)N(C)C[C@H]2C)c1 ZINC000351510459 292289678 /nfs/dbraw/zinc/28/96/78/292289678.db2.gz RBEOBELVRXMEAC-NWDGAFQWSA-N 0 1 263.341 2.432 20 5 CEBDMN O=C(N[C@@H]1CC[C@H](c2ccc(F)cc2)C1)[C@H]1CC1[N+](=O)[O-] ZINC000375907985 157162518 /nfs/dbraw/zinc/16/25/18/157162518.db2.gz ULBDWPDELNXZNA-AHLTXXRQSA-N 0 1 292.310 2.243 20 5 CEBDMN O=C(Nc1ccc2[nH]nnc2c1)c1ccccc1[N+](=O)[O-] ZINC000176727314 165172217 /nfs/dbraw/zinc/17/22/17/165172217.db2.gz MFYKRTJJYBDRRQ-UHFFFAOYSA-N 0 1 283.247 2.118 20 5 CEBDMN Cc1c(C[N@H+]2CCCC[C@H]2C(=O)[O-])cccc1[N+](=O)[O-] ZINC000035649618 172326171 /nfs/dbraw/zinc/32/61/71/172326171.db2.gz RGAKJPXPNRBOTQ-ZDUSSCGKSA-N 0 1 278.308 2.342 20 5 CEBDMN CCN(C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000046354496 175396341 /nfs/dbraw/zinc/39/63/41/175396341.db2.gz WQCURDCRSDVWEJ-UHFFFAOYSA-N 0 1 274.280 2.096 20 5 CEBDMN Cc1cccc(N2CC[C@@H](c3nc[nH]n3)C2)c1[N+](=O)[O-] ZINC000425288773 262699262 /nfs/dbraw/zinc/69/92/62/262699262.db2.gz UTDAFSROTIHLMS-SNVBAGLBSA-N 0 1 273.296 2.015 20 5 CEBDMN C[C@H]1NC(=O)CC[C@@H]1NCc1c(Cl)cccc1[N+](=O)[O-] ZINC000392896217 270341253 /nfs/dbraw/zinc/34/12/53/270341253.db2.gz CXVPTPYPOJVFJO-KCJUWKMLSA-N 0 1 297.742 2.005 20 5 CEBDMN Cc1nc(CN(Cc2ccccc2[N+](=O)[O-])C2CC2)n[nH]1 ZINC000428398698 271262713 /nfs/dbraw/zinc/26/27/13/271262713.db2.gz ILIRLCVUAVSJMI-UHFFFAOYSA-N 0 1 287.323 2.186 20 5 CEBDMN CC[C@H]1CCCCN1C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000299425004 281050722 /nfs/dbraw/zinc/05/07/22/281050722.db2.gz GRNFAFLDIUOEAP-VIFPVBQESA-N 0 1 266.301 2.031 20 5 CEBDMN O=C(CN1CC[C@H]2CCC[C@@H]21)Nc1ccccc1[N+](=O)[O-] ZINC000426463900 281194296 /nfs/dbraw/zinc/19/42/96/281194296.db2.gz VIZZXLHCRBTADT-YPMHNXCESA-N 0 1 289.335 2.408 20 5 CEBDMN CCN(C)C(=O)[C@H](C)N[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000581081458 322368617 /nfs/dbraw/zinc/36/86/17/322368617.db2.gz BAQXZPSPUHPILZ-GXFFZTMASA-N 0 1 291.351 2.039 20 5 CEBDMN CN(Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CCOCC1 ZINC000581289466 322383535 /nfs/dbraw/zinc/38/35/35/322383535.db2.gz COQLKKKDBPXGKH-UHFFFAOYSA-N 0 1 290.323 2.082 20 5 CEBDMN COc1cc(CN2CCC[C@@H](CO)[C@H]2C)ccc1[N+](=O)[O-] ZINC000412093961 533802403 /nfs/dbraw/zinc/80/24/03/533802403.db2.gz SAPDEDVMLOIXFX-YPMHNXCESA-N 0 1 294.351 2.196 20 5 CEBDMN COC(=O)C1(CNCc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000188683154 522832667 /nfs/dbraw/zinc/83/26/67/522832667.db2.gz SNRMSZFFALVCAA-UHFFFAOYSA-N 0 1 298.726 2.291 20 5 CEBDMN CC1(C)COC[C@@H]1NCc1csc([N+](=O)[O-])c1 ZINC000313014832 535362319 /nfs/dbraw/zinc/36/23/19/535362319.db2.gz FFFWGCAAHSPJAZ-VIFPVBQESA-N 0 1 256.327 2.171 20 5 CEBDMN C[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)CC[C@H]1NC(=O)[O-] ZINC000739187138 574898456 /nfs/dbraw/zinc/89/84/56/574898456.db2.gz HVLPBHHUCNYHDG-ZWNOBZJWSA-N 0 1 293.323 2.073 20 5 CEBDMN COC[C@H]1CCCN1Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000751947703 575302130 /nfs/dbraw/zinc/30/21/30/575302130.db2.gz UEOYDOVETPJPQJ-CYBMUJFWSA-N 0 1 290.323 2.013 20 5 CEBDMN C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@](F)(C(=O)[O-])C1 ZINC000827942076 601438611 /nfs/dbraw/zinc/43/86/11/601438611.db2.gz OTOUYLCRFIJEID-NOZJJQNGSA-N 0 1 282.271 2.154 20 5 CEBDMN C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@](F)(C(=O)[O-])C1 ZINC000827942076 601438612 /nfs/dbraw/zinc/43/86/12/601438612.db2.gz OTOUYLCRFIJEID-NOZJJQNGSA-N 0 1 282.271 2.154 20 5 CEBDMN C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CCN(C(=O)[O-])CC1 ZINC000828406810 603985160 /nfs/dbraw/zinc/98/51/60/603985160.db2.gz GSULXLPZOUFJPM-UHFFFAOYSA-N 0 1 293.323 2.169 20 5 CEBDMN CN(C[C@@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000828230500 604088800 /nfs/dbraw/zinc/08/88/00/604088800.db2.gz QIKFWDRYQGGYMK-ZDUSSCGKSA-N 0 1 293.323 2.169 20 5 CEBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@H](NC(=O)[O-])C1 ZINC000833907457 605551243 /nfs/dbraw/zinc/55/12/43/605551243.db2.gz JPKDJASZHDAASD-QWRGUYRKSA-N 0 1 293.323 2.306 20 5 CEBDMN CSCC(C)(C)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000890874617 623038697 /nfs/dbraw/zinc/03/86/97/623038697.db2.gz IKFKGKUIJIFNBR-UHFFFAOYSA-N 0 1 284.337 2.172 20 5 CEBDMN C[C@@H]1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000894302226 629321973 /nfs/dbraw/zinc/32/19/73/629321973.db2.gz ZNLYYHMTJKTKMQ-ZRJCITRHSA-N 0 1 274.320 2.261 20 5 CEBDMN Cc1cc([C@H](C)NCc2ccc([N+](=O)[O-])cc2)n(C)n1 ZINC000793534363 629901063 /nfs/dbraw/zinc/90/10/63/629901063.db2.gz PDMLWPINILKRNE-NSHDSACASA-N 0 1 274.324 2.488 20 5 CEBDMN O=[N+]([O-])c1ccccc1/C=C/CN1CCCn2nncc2C1 ZINC000895757079 630333060 /nfs/dbraw/zinc/33/30/60/630333060.db2.gz PNIBMWYOFZDZTD-ZZXKWVIFSA-N 0 1 299.334 2.105 20 5 CEBDMN COc1cc([C@H](C)NCCc2ccccc2[N+](=O)[O-])on1 ZINC000925155501 631124237 /nfs/dbraw/zinc/12/42/37/631124237.db2.gz VWUPEZYQKPNYMM-JTQLQIEISA-N 0 1 291.307 2.485 20 5 CEBDMN CCn1ncnc1CNC[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000897459516 631531204 /nfs/dbraw/zinc/53/12/04/631531204.db2.gz LVMBYXOMUKVBEA-LLVKDONJSA-N 0 1 289.339 2.100 20 5 CEBDMN C[C@H](C1CC1)N(Cc1ccccc1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840332631 633581504 /nfs/dbraw/zinc/58/15/04/633581504.db2.gz ZQZYJCNQUKITOG-KCPJHIHWSA-N 0 1 288.347 2.479 20 5 CEBDMN Cc1nc([C@H]2CCN(c3ccc([N+](=O)[O-])cc3F)C2)n[nH]1 ZINC000840377555 634111599 /nfs/dbraw/zinc/11/15/99/634111599.db2.gz FAIKGOOSMIDFPZ-VIFPVBQESA-N 0 1 291.286 2.154 20 5 CEBDMN Cc1nnc([C@H]2CCN(c3ccc([N+](=O)[O-])cc3F)C2)[nH]1 ZINC000840377555 634111604 /nfs/dbraw/zinc/11/16/04/634111604.db2.gz FAIKGOOSMIDFPZ-VIFPVBQESA-N 0 1 291.286 2.154 20 5 CEBDMN CN1CC[C@H]1CNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000902934958 634904923 /nfs/dbraw/zinc/90/49/23/634904923.db2.gz SYFUMMCJIAZTLZ-VIFPVBQESA-N 0 1 298.730 2.074 20 5 CEBDMN C[C@H](N[C@H]1COC[C@H]1C)c1c(F)cccc1[N+](=O)[O-] ZINC000903392981 635089476 /nfs/dbraw/zinc/08/94/76/635089476.db2.gz CMJVVUVBAYVVHH-YWVKMMECSA-N 0 1 268.288 2.419 20 5 CEBDMN O=[N+]([O-])c1cc2c([nH]c1=NOC[C@@H]1CCOC1)CCCC2 ZINC000825989500 635742342 /nfs/dbraw/zinc/74/23/42/635742342.db2.gz DKGBVDCEPXNONH-SNVBAGLBSA-N 0 1 293.323 2.249 20 5 CEBDMN CC[C@H](CNCC[N+](=O)[O-])Oc1ccccc1Cl ZINC000905152345 635831169 /nfs/dbraw/zinc/83/11/69/635831169.db2.gz BLRWUPTXWNUKCQ-SNVBAGLBSA-N 0 1 272.732 2.364 20 5 CEBDMN O=[N+]([O-])CCNC/C=C/c1ccc(Br)cc1 ZINC000905273488 636201640 /nfs/dbraw/zinc/20/16/40/636201640.db2.gz PQLRELIWDBVSIT-OWOJBTEDSA-N 0 1 285.141 2.329 20 5 CEBDMN Cn1cc(CN2CC[C@@H]2Cc2ccccc2)c([N+](=O)[O-])n1 ZINC000876774172 650427224 /nfs/dbraw/zinc/42/72/24/650427224.db2.gz NOVCZCJZIHRORA-CQSZACIVSA-N 0 1 286.335 2.145 20 5 CEBDMN Cc1[nH]nc(C(=O)N2CCCCCCCC2)c1[N+](=O)[O-] ZINC000836926131 638751098 /nfs/dbraw/zinc/75/10/98/638751098.db2.gz ZLBWPCRUCJSYBJ-UHFFFAOYSA-N 0 1 280.328 2.423 20 5 CEBDMN COC(C)(C)CC(=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837690959 639344586 /nfs/dbraw/zinc/34/45/86/639344586.db2.gz MLUYWYMQATXYFA-UHFFFAOYSA-N 0 1 283.280 2.159 20 5 CEBDMN C[C@@H]1C[C@H](C)[C@@H](C(=O)OCc2cc(O)ccc2[N+](=O)[O-])O1 ZINC000837703587 639350859 /nfs/dbraw/zinc/35/08/59/639350859.db2.gz GWJJJJPUEGIJRF-RWEMILLDSA-N 0 1 295.291 2.157 20 5 CEBDMN O=C(O[C@@H]1CCc2ccc(F)cc21)[C@@H]1CC1[N+](=O)[O-] ZINC000841138762 639689582 /nfs/dbraw/zinc/68/95/82/639689582.db2.gz WYJFPEXWIKODKR-IJLUTSLNSA-N 0 1 265.240 2.021 20 5 CEBDMN CC[C@H](CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1)OC ZINC000842147050 639965753 /nfs/dbraw/zinc/96/57/53/639965753.db2.gz ICBZKUUQTCFYJP-OAHLLOKOSA-N 0 1 293.367 2.142 20 5 CEBDMN Cc1cc(-c2noc(CNCC3CC3)n2)cc([N+](=O)[O-])c1 ZINC000843239260 640365805 /nfs/dbraw/zinc/36/58/05/640365805.db2.gz IPAFNYFOYKYGBV-UHFFFAOYSA-N 0 1 288.307 2.453 20 5 CEBDMN O=C(OCc1ccsc1Cl)[C@@H]1CC1[N+](=O)[O-] ZINC000849807619 642473472 /nfs/dbraw/zinc/47/34/72/642473472.db2.gz RPSKUNPYWAANDK-RNFRBKRXSA-N 0 1 261.686 2.110 20 5 CEBDMN O=C(OCC(F)(F)Br)c1ccc([N+](=O)[O-])[nH]1 ZINC000851283546 642968481 /nfs/dbraw/zinc/96/84/81/642968481.db2.gz VZQKIYWPEGFQDP-UHFFFAOYSA-N 0 1 299.027 2.067 20 5 CEBDMN Cc1cccc(C)c1CCOC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000851302148 642975143 /nfs/dbraw/zinc/97/51/43/642975143.db2.gz RMOGLVRSIUULHJ-CHWSQXEVSA-N 0 1 263.293 2.054 20 5 CEBDMN COC(=O)CC(C)(C)NCc1ccc(F)cc1[N+](=O)[O-] ZINC000851855186 643193117 /nfs/dbraw/zinc/19/31/17/643193117.db2.gz DAKWEIWFIKEKCB-UHFFFAOYSA-N 0 1 284.287 2.165 20 5 CEBDMN O=[N+]([O-])c1ccc(F)cc1CN1CCC[C@](O)(C2CC2)C1 ZINC000852502547 643448119 /nfs/dbraw/zinc/44/81/19/643448119.db2.gz JHPCQIIIIYQGTN-OAHLLOKOSA-N 0 1 294.326 2.471 20 5 CEBDMN COC(=O)N(C)CCN(C)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000852571936 643478376 /nfs/dbraw/zinc/47/83/76/643478376.db2.gz JHBISWUNRGLDBZ-NSHDSACASA-N 0 1 295.339 2.286 20 5 CEBDMN CCN1CCN(c2cc(OC)c(C)cc2[N+](=O)[O-])C[C@@H]1C ZINC000853458503 643777105 /nfs/dbraw/zinc/77/71/05/643777105.db2.gz NLSFXIDRWKMOCM-LBPRGKRZSA-N 0 1 293.367 2.442 20 5 CEBDMN CC1(C)C[C@H](O)CN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000877753466 650897127 /nfs/dbraw/zinc/89/71/27/650897127.db2.gz POTIIFHDWPYSHC-ZDUSSCGKSA-N 0 1 264.325 2.188 20 5 CEBDMN C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839489024 644239668 /nfs/dbraw/zinc/23/96/68/644239668.db2.gz UKJCWSNZOMZCSH-LPBBDHJYSA-N 0 1 284.262 2.149 20 5 CEBDMN CCC[C@H](Cc1ccccc1)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839642842 644772041 /nfs/dbraw/zinc/77/20/41/644772041.db2.gz JAOQWWXXSUESEA-MGPQQGTHSA-N 0 1 276.336 2.179 20 5 CEBDMN CC(C)CC[C@H]1CCC[C@H]1NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839643507 644772201 /nfs/dbraw/zinc/77/22/01/644772201.db2.gz LONXCNURZCGTAM-FDYHWXHSSA-N 0 1 268.357 2.373 20 5 CEBDMN O=C(NCCCCC1CCCC1)[C@@H]1CC1[N+](=O)[O-] ZINC000839696345 644776448 /nfs/dbraw/zinc/77/64/48/644776448.db2.gz JYRXVHFYNZZODX-VXGBXAGGSA-N 0 1 254.330 2.128 20 5 CEBDMN C[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1c(F)cccc1Cl ZINC000839695757 644776490 /nfs/dbraw/zinc/77/64/90/644776490.db2.gz ATXNSOFDQDOXAI-BRDIYROLSA-N 0 1 286.690 2.322 20 5 CEBDMN C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)N1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839781130 644815180 /nfs/dbraw/zinc/81/51/80/644815180.db2.gz JBHZUYHWNJFNKU-OKNSCYNVSA-N 0 1 288.347 2.445 20 5 CEBDMN C[C@H]1CN(Cc2ccc(Cl)cc2[N+](=O)[O-])CCN1C ZINC000761075000 645230520 /nfs/dbraw/zinc/23/05/20/645230520.db2.gz ZJFYTMMAQRUEAO-JTQLQIEISA-N 0 1 283.759 2.384 20 5 CEBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@H](O)C(F)(F)F ZINC000765290460 645752805 /nfs/dbraw/zinc/75/28/05/645752805.db2.gz KDIRTUITARWRTG-KWQFWETISA-N 0 1 292.257 2.477 20 5 CEBDMN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)OCCN1CCC1 ZINC000861389422 646169888 /nfs/dbraw/zinc/16/98/88/646169888.db2.gz LVPLKJCKSQTGOW-QXMHVHEDSA-N 0 1 290.319 2.247 20 5 CEBDMN Cc1nn(CN(C2CC2)C2CC2)c2ncc([N+](=O)[O-])cc12 ZINC000863303401 646700204 /nfs/dbraw/zinc/70/02/04/646700204.db2.gz ZMZUELAPEZABEY-UHFFFAOYSA-N 0 1 287.323 2.232 20 5 CEBDMN CCCOc1ccc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1OC ZINC000863843279 646832263 /nfs/dbraw/zinc/83/22/63/646832263.db2.gz RGSFSWSZYWMNPU-GHMZBOCLSA-N 0 1 294.307 2.088 20 5 CEBDMN COC(=O)/C(C)=C/CN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000775181896 646929086 /nfs/dbraw/zinc/92/90/86/646929086.db2.gz ZSQHLXXKMLWIEQ-HUYFXPKMSA-N 0 1 278.308 2.365 20 5 CEBDMN COc1ccc(NC(=O)C2(N(C)C)CCC2)cc1[N+](=O)[O-] ZINC000782816346 647658620 /nfs/dbraw/zinc/65/86/20/647658620.db2.gz YPZOMUIVDQCIGQ-UHFFFAOYSA-N 0 1 293.323 2.026 20 5 CEBDMN CCC[C@H](C)NC(=O)[C@](C)(N)c1cccc([N+](=O)[O-])c1 ZINC000867950414 647999408 /nfs/dbraw/zinc/99/94/08/647999408.db2.gz VCKZYCPRQUILIP-IINYFYTJSA-N 0 1 279.340 2.074 20 5 CEBDMN CC[C@@H](C)CCNC(=O)[C@@](C)(N)c1cccc([N+](=O)[O-])c1 ZINC000867984677 648010818 /nfs/dbraw/zinc/01/08/18/648010818.db2.gz QZOZLHNPSTWGBG-ABAIWWIYSA-N 0 1 293.367 2.321 20 5 CEBDMN Cc1cccc(NC2CCN(CC[N+](=O)[O-])CC2)c1 ZINC000791053251 648476178 /nfs/dbraw/zinc/47/61/78/648476178.db2.gz CEHYBCKNNSZXNZ-UHFFFAOYSA-N 0 1 263.341 2.148 20 5 CEBDMN CC(C)[C@@H](O)CN[C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872034852 649248133 /nfs/dbraw/zinc/24/81/33/649248133.db2.gz LQZRNLUAWSITIU-CABZTGNLSA-N 0 1 270.304 2.401 20 5 CEBDMN O=C([O-])[C@]12CCC[C@H]1[N@@H+](Cc1cccc([N+](=O)[O-])c1)CC2 ZINC000872169184 649305529 /nfs/dbraw/zinc/30/55/29/649305529.db2.gz IDQVZMBWCLBAIF-HIFRSBDPSA-N 0 1 290.319 2.424 20 5 CEBDMN COc1ccc([N+](=O)[O-])cc1CN1CC[C@@H](C(C)(C)O)C1 ZINC000880138974 651390233 /nfs/dbraw/zinc/39/02/33/651390233.db2.gz JQDVRXMNXYKKCB-GFCCVEGCSA-N 0 1 294.351 2.196 20 5 CEBDMN CS[C@@H]1CC[C@H](N(C)Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC001119249278 815079823 /nfs/dbraw/zinc/07/98/23/815079823.db2.gz AUNUFBLPBCSDET-WDEREUQCSA-N 0 1 284.385 2.044 20 5 CEBDMN CC[C@@H]1CCCC[C@@H]1N(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001127095291 807019590 /nfs/dbraw/zinc/01/95/90/807019590.db2.gz IFRCOIFPHJZMBB-WISYIIOYSA-N 0 1 254.330 2.079 20 5 CEBDMN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N(C)C1(C)COC1 ZINC001173234535 815633974 /nfs/dbraw/zinc/63/39/74/815633974.db2.gz RUURYSKIGPEAET-LLVKDONJSA-N 0 1 264.325 2.247 20 5 CEBDMN CN1CC[C@H](Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000061986114 807899255 /nfs/dbraw/zinc/89/92/55/807899255.db2.gz JLMOQMFLDSGWGH-QMMMGPOBSA-N 0 1 255.705 2.364 20 5 CEBDMN O=[N+]([O-])c1ccc(CN[C@H]2CC23CC(O)C3)c(Cl)c1 ZINC000725001161 811056695 /nfs/dbraw/zinc/05/66/95/811056695.db2.gz ZGEHQZSKWAKHMT-YDGIUTOCSA-N 0 1 282.727 2.251 20 5 CEBDMN O=C1CC[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)[C@@H]2CCCC[C@@H]12 ZINC001169007587 811332176 /nfs/dbraw/zinc/33/21/76/811332176.db2.gz OIBNIIQAQUOFNJ-REWJHTLYSA-N 0 1 280.368 2.265 20 5 CEBDMN CC(C)(C)OC(=O)[C@@H]1CCCN1[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169034168 811347549 /nfs/dbraw/zinc/34/75/49/811347549.db2.gz FTQIBGMCNBALEU-AGIUHOORSA-N 0 1 298.383 2.238 20 5 CEBDMN C[C@@H]1[C@H](C)N(c2ccc([N+](=O)[O-])cc2F)CCN1C ZINC000771287903 811954531 /nfs/dbraw/zinc/95/45/31/811954531.db2.gz NFSMVNPMTHJCCC-ZJUUUORDSA-N 0 1 267.304 2.263 20 5 CEBDMN c1ccc2cc3c(cc2c1)ncnc3NC[C@H]1COCCN1 ZINC001170041671 811990158 /nfs/dbraw/zinc/99/01/58/811990158.db2.gz KEAYDPYSSLAGSK-AWEZNQCLSA-N 0 1 294.358 2.183 20 5 CEBDMN c1cnc2c(c1)cc(NC[C@H]1COCCN1)c1cccnc12 ZINC001170045206 811998526 /nfs/dbraw/zinc/99/85/26/811998526.db2.gz RTBDPXHBCLJAQP-ZDUSSCGKSA-N 0 1 294.358 2.183 20 5 CEBDMN CCN([C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-])C1COC1 ZINC001170352964 812391565 /nfs/dbraw/zinc/39/15/65/812391565.db2.gz VFVMVLFFDZCAHB-NSHDSACASA-N 0 1 294.351 2.255 20 5 CEBDMN CN(Cc1cnc[nH]1)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC001147072573 814379332 /nfs/dbraw/zinc/37/93/32/814379332.db2.gz IWUAIMLRYCMTNV-UHFFFAOYSA-N 0 1 299.290 2.071 20 5 CEBDMN CC[N@@H+](CCC(=O)[O-])Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000714013937 814882328 /nfs/dbraw/zinc/88/23/28/814882328.db2.gz RXOBXSNZOSOWPB-UHFFFAOYSA-N 0 1 266.297 2.200 20 5 CEBDMN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N(C)Cc1cnccn1 ZINC001173228621 815630721 /nfs/dbraw/zinc/63/07/21/815630721.db2.gz YIROMZPDCKGQJR-GFCCVEGCSA-N 0 1 286.335 2.448 20 5 CEBDMN Cc1nonc1CN[C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173213499 815636709 /nfs/dbraw/zinc/63/67/09/815636709.db2.gz HXRVMANVWNKTAR-SECBINFHSA-N 0 1 276.296 2.007 20 5 CEBDMN Cc1ccc([C@@H](C)N[C@@H](C)C(=O)N(C)C)cc1[N+](=O)[O-] ZINC000036793828 361858215 /nfs/dbraw/zinc/85/82/15/361858215.db2.gz TVGQGTYRBGLZDJ-MNOVXSKESA-N 0 1 279.340 2.031 20 5 CEBDMN C[C@@H]1CCc2c(=O)n(-c3cccc([N+](=O)[O-])c3)[nH]c21 ZINC000601930625 346928793 /nfs/dbraw/zinc/92/87/93/346928793.db2.gz BDSJWQOMTBYMLP-LDYMZIIASA-N 0 1 259.265 2.344 20 5 CEBDMN O=c1cc(C[C@@H]2CCCO2)[nH]n1-c1ccc([N+](=O)[O-])cc1 ZINC000601935528 346931320 /nfs/dbraw/zinc/93/13/20/346931320.db2.gz WZJAVGZNHIUJFJ-ZDUSSCGKSA-N 0 1 289.291 2.257 20 5 CEBDMN C[C@H]1CCc2c(=O)n(-c3ccc([N+](=O)[O-])cc3F)[nH]c21 ZINC000601941371 346934270 /nfs/dbraw/zinc/93/42/70/346934270.db2.gz AEKRFBQHICGFAR-IONNQARKSA-N 0 1 277.255 2.483 20 5 CEBDMN Cc1cccc([C@@H]2CCCN2C(=O)[C@H]2CC2[N+](=O)[O-])c1 ZINC000056002126 343612557 /nfs/dbraw/zinc/61/25/57/343612557.db2.gz UKGOJRKPCIZXOK-IHRRRGAJSA-N 0 1 274.320 2.324 20 5 CEBDMN Cc1cnc(-c2cccc(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])c2)o1 ZINC000066809175 343722200 /nfs/dbraw/zinc/72/22/00/343722200.db2.gz QNFCKVTZSWUZCV-VXGBXAGGSA-N 0 1 287.275 2.254 20 5 CEBDMN Cc1ccc([N+](=O)[O-])c(N2CCN(C(C)C)CC2)c1 ZINC000088700431 344112837 /nfs/dbraw/zinc/11/28/37/344112837.db2.gz BJTKSDGGIZSOBX-UHFFFAOYSA-N 0 1 263.341 2.434 20 5 CEBDMN C[C@@H](O)[C@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000089929705 344131738 /nfs/dbraw/zinc/13/17/38/344131738.db2.gz ZFMZIKBIHGLCRX-MNOVXSKESA-N 0 1 282.315 2.327 20 5 CEBDMN CC(C)OC(=O)[C@H](C)N(C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000093772852 344229793 /nfs/dbraw/zinc/22/97/93/344229793.db2.gz CLSXYNQNHGTSRU-JTQLQIEISA-N 0 1 296.323 2.072 20 5 CEBDMN COc1cc([N+](=O)[O-])ccc1-c1nc([C@H]2CCCN2)no1 ZINC000164983990 344473323 /nfs/dbraw/zinc/47/33/23/344473323.db2.gz UURSGVGYMWAKHW-SNVBAGLBSA-N 0 1 290.279 2.078 20 5 CEBDMN NC(=O)CC[C@H]1CCCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000170733174 344489238 /nfs/dbraw/zinc/48/92/38/344489238.db2.gz FHJIYLVQDCTDEI-GFCCVEGCSA-N 0 1 291.351 2.072 20 5 CEBDMN O=[N+]([O-])c1cccc(NS(=O)(=O)c2ccsc2)c1 ZINC000224500222 344544390 /nfs/dbraw/zinc/54/43/90/344544390.db2.gz MKDGLPPCOTWKKA-UHFFFAOYSA-N 0 1 284.318 2.457 20 5 CEBDMN C[C@@H](C(=O)[O-])[N@@H+](C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000054067526 362507435 /nfs/dbraw/zinc/50/74/35/362507435.db2.gz JEEPXYRWBIXHBD-ZETCQYMHSA-N 0 1 272.688 2.153 20 5 CEBDMN COC(=O)c1ccc([N+](=O)[O-])c(CN(C)CC(C)C)c1 ZINC000589494524 345084582 /nfs/dbraw/zinc/08/45/82/345084582.db2.gz WRFCQXMJVKEOJF-UHFFFAOYSA-N 0 1 280.324 2.469 20 5 CEBDMN O=[N+]([O-])c1cncc(Cl)c1N1CC[C@H](N2CCCC2)C1 ZINC000589113290 345066611 /nfs/dbraw/zinc/06/66/11/345066611.db2.gz ILRDWKLHEKTYMF-JTQLQIEISA-N 0 1 296.758 2.318 20 5 CEBDMN Cc1cccc([N+](=O)[O-])c1NC(=O)CN(C)CC1CC1 ZINC000049238114 232177705 /nfs/dbraw/zinc/17/77/05/232177705.db2.gz RGIWNSGFJGXXQB-UHFFFAOYSA-N 0 1 277.324 2.184 20 5 CEBDMN COCCOCCSCc1cc(O)ccc1[N+](=O)[O-] ZINC000593191895 345452225 /nfs/dbraw/zinc/45/22/25/345452225.db2.gz JNRUGTVNDSQPOG-UHFFFAOYSA-N 0 1 287.337 2.197 20 5 CEBDMN CC[C@H]1CN(Cc2cc(O)ccc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000593061403 345431035 /nfs/dbraw/zinc/43/10/35/345431035.db2.gz KGPYSDDAGQKOJY-GWCFXTLKSA-N 0 1 280.324 2.300 20 5 CEBDMN C[N@@H+](Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-])[C@H]1CCSC1 ZINC000593731747 345529314 /nfs/dbraw/zinc/52/93/14/345529314.db2.gz BEDJNAUAHSXKDZ-NSHDSACASA-N 0 1 296.348 2.230 20 5 CEBDMN C[C@@H]1CCCN(Cc2cc([O-])ccc2[N+](=O)[O-])[C@H]1CC[NH3+] ZINC000593733301 345529796 /nfs/dbraw/zinc/52/97/96/345529796.db2.gz LENPBAYCYYOGAB-RISCZKNCSA-N 0 1 293.367 2.250 20 5 CEBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC12CCCC2 ZINC000593761392 345533748 /nfs/dbraw/zinc/53/37/48/345533748.db2.gz MGEIUDLBKBOYQN-UHFFFAOYSA-N 0 1 276.292 2.459 20 5 CEBDMN CCC(C)(C)N1CCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000594389216 345620042 /nfs/dbraw/zinc/62/00/42/345620042.db2.gz GTXWMFLWAMKTLU-UHFFFAOYSA-N 0 1 295.339 2.134 20 5 CEBDMN C[C@H]1[C@H](CO)CCCN1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595539948 345806379 /nfs/dbraw/zinc/80/63/79/345806379.db2.gz FJCDIGPNRXQLNF-JQWIXIFHSA-N 0 1 282.315 2.327 20 5 CEBDMN Cc1noc(CN2CC[C@@H](C(C)C)C2)c1[N+](=O)[O-] ZINC000595340857 345765079 /nfs/dbraw/zinc/76/50/79/345765079.db2.gz YBLOGDZYJBRCHC-SNVBAGLBSA-N 0 1 253.302 2.369 20 5 CEBDMN Cc1noc(CN[C@H](C(C)C)[C@H](CO)C(C)C)c1[N+](=O)[O-] ZINC000595523137 345803512 /nfs/dbraw/zinc/80/35/12/345803512.db2.gz IKZAVLIAGOFYEN-DGCLKSJQSA-N 0 1 299.371 2.270 20 5 CEBDMN C[C@]12COC[C@@H]1CN(Cc1ccc([N+](=O)[O-])cc1F)C2 ZINC000595757374 345868789 /nfs/dbraw/zinc/86/87/89/345868789.db2.gz JENHJYGREWHHHS-FZMZJTMJSA-N 0 1 280.299 2.202 20 5 CEBDMN COc1cc(CN2CC[C@@H]3C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000595811038 345881705 /nfs/dbraw/zinc/88/17/05/345881705.db2.gz RUFSKVGRUGBMTP-VXGBXAGGSA-N 0 1 262.309 2.445 20 5 CEBDMN COc1ccc(CN2C[C@H](C)[C@@](C)(CO)C2)cc1[N+](=O)[O-] ZINC000595876399 345903984 /nfs/dbraw/zinc/90/39/84/345903984.db2.gz SVCAGTNYQYYQAM-XHDPSFHLSA-N 0 1 294.351 2.054 20 5 CEBDMN O=[N+]([O-])c1ccc(NC[C@H]2CCN2Cc2ccccc2)nc1 ZINC000596553407 346053335 /nfs/dbraw/zinc/05/33/35/346053335.db2.gz RWXVOKQGXYTARG-CQSZACIVSA-N 0 1 298.346 2.098 20 5 CEBDMN COc1ccc(CN2CC[C@H](C)[C@@H](CO)C2)cc1[N+](=O)[O-] ZINC000598645114 346391150 /nfs/dbraw/zinc/39/11/50/346391150.db2.gz DREPUWVESRPLBS-WCQYABFASA-N 0 1 294.351 2.054 20 5 CEBDMN CN1CCN(Cc2c(F)cc([N+](=O)[O-])cc2F)C(C)(C)C1 ZINC000351730706 219189542 /nfs/dbraw/zinc/18/95/42/219189542.db2.gz QUIHFVDIJQHZOI-UHFFFAOYSA-N 0 1 299.321 2.399 20 5 CEBDMN CN(Cc1ccc(F)cc1[N+](=O)[O-])CC1(C)COC1 ZINC000599573041 346540645 /nfs/dbraw/zinc/54/06/45/346540645.db2.gz LSQSKMAUKGJNFD-UHFFFAOYSA-N 0 1 268.288 2.202 20 5 CEBDMN O=[N+]([O-])c1ccc(CN2CC[C@H]3CC[C@@H](C2)[S@@]3=O)cc1 ZINC000599632177 346549761 /nfs/dbraw/zinc/54/97/61/346549761.db2.gz ZOJKAFWKONPUNG-LAPQFRIASA-N 0 1 294.376 2.080 20 5 CEBDMN C[C@H]1OCC[C@@]1(C)NCc1ccc([N+](=O)[O-])cc1F ZINC000336810052 365848638 /nfs/dbraw/zinc/84/86/38/365848638.db2.gz GYBXBBFNMOBQCV-NOZJJQNGSA-N 0 1 268.288 2.391 20 5 CEBDMN O=[N+]([O-])c1ccc(CN[C@H]2C[C@@H](CO)C2)c(Cl)c1 ZINC000601140146 346766925 /nfs/dbraw/zinc/76/69/25/346766925.db2.gz RUDLWJYWGFAUNW-WAAGHKOSSA-N 0 1 270.716 2.109 20 5 CEBDMN Cc1nc([C@@H]2CCN(c3ccsc3[N+](=O)[O-])C2)n[nH]1 ZINC000601175531 346778590 /nfs/dbraw/zinc/77/85/90/346778590.db2.gz IKPFMCGDNBACES-MRVPVSSYSA-N 0 1 279.325 2.077 20 5 CEBDMN Cc1nnc([C@@H]2CCN(c3ccsc3[N+](=O)[O-])C2)[nH]1 ZINC000601175531 346778593 /nfs/dbraw/zinc/77/85/93/346778593.db2.gz IKPFMCGDNBACES-MRVPVSSYSA-N 0 1 279.325 2.077 20 5 CEBDMN O=[N+]([O-])c1c2cccnc2ccc1N1CC(N2CCCC2)C1 ZINC000601194262 346783533 /nfs/dbraw/zinc/78/35/33/346783533.db2.gz WLSHHEZJFQBPAC-UHFFFAOYSA-N 0 1 298.346 2.427 20 5 CEBDMN CC[C@@H](NCCn1c(C)ncc1[N+](=O)[O-])c1nccs1 ZINC000602809875 347209099 /nfs/dbraw/zinc/20/90/99/347209099.db2.gz JDJTVZVBHGFQOE-SNVBAGLBSA-N 0 1 295.368 2.297 20 5 CEBDMN O=[N+]([O-])c1ccc(OCCN2CCSCC2)cc1 ZINC000065223029 362804832 /nfs/dbraw/zinc/80/48/32/362804832.db2.gz HUYGZMZVIMICDN-UHFFFAOYSA-N 0 1 268.338 2.022 20 5 CEBDMN CCCCOCCN[C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000602965595 347258380 /nfs/dbraw/zinc/25/83/80/347258380.db2.gz JIBCMXCXKYDXOC-HNNXBMFYSA-N 0 1 296.367 2.209 20 5 CEBDMN CC[C@@]1(O)CCCN(Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000602983339 347266044 /nfs/dbraw/zinc/26/60/44/347266044.db2.gz ICXQVWCIRORDMT-OAHLLOKOSA-N 0 1 294.351 2.340 20 5 CEBDMN O=[N+]([O-])c1ccc(N2CCN([C@H]3C=CCCC3)CC2)cn1 ZINC000609417417 347638985 /nfs/dbraw/zinc/63/89/85/347638985.db2.gz HZSNWMOVDZDLEF-ZDUSSCGKSA-N 0 1 288.351 2.221 20 5 CEBDMN O=C(Nc1cnoc1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000609502926 347640913 /nfs/dbraw/zinc/64/09/13/347640913.db2.gz NGZRQBHUAVHOBF-UHFFFAOYSA-N 0 1 267.628 2.489 20 5 CEBDMN Cc1cc(CNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)n[nH]1 ZINC000609595293 347645968 /nfs/dbraw/zinc/64/59/68/347645968.db2.gz XLPOUFSNLQLXPT-UHFFFAOYSA-N 0 1 299.290 2.038 20 5 CEBDMN CC(C)c1[nH]nc(C(=O)N2CCC[C@@H]2C2CC2)c1[N+](=O)[O-] ZINC000610922111 347722253 /nfs/dbraw/zinc/72/22/53/347722253.db2.gz GXSCGHBUXNJDLB-SNVBAGLBSA-N 0 1 292.339 2.456 20 5 CEBDMN C[C@H]1COCCCN1Cc1cccc([N+](=O)[O-])c1 ZINC000610990592 347727459 /nfs/dbraw/zinc/72/74/59/347727459.db2.gz BYQBUCUWDMQAKI-NSHDSACASA-N 0 1 250.298 2.206 20 5 CEBDMN CN(CCOC(C)(C)C)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000611558996 347794881 /nfs/dbraw/zinc/79/48/81/347794881.db2.gz RAXGEVFMQXIBBH-UHFFFAOYSA-N 0 1 296.323 2.188 20 5 CEBDMN O=C([O-])c1csc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)n1 ZINC000336907432 365946307 /nfs/dbraw/zinc/94/63/07/365946307.db2.gz ZADYKTDWKWACBX-UHFFFAOYSA-N 0 1 293.304 2.039 20 5 CEBDMN O=[N+]([O-])c1cc(O)cc(-c2nc(C3CCOCC3)no2)c1 ZINC000614396065 348192056 /nfs/dbraw/zinc/19/20/56/348192056.db2.gz WPOPBBHCZPXXQB-UHFFFAOYSA-N 0 1 291.263 2.244 20 5 CEBDMN CC1(C)CCCN(CCNc2ncc([N+](=O)[O-])s2)C1 ZINC000336942723 365956996 /nfs/dbraw/zinc/95/69/96/365956996.db2.gz ZLWHQHCRXQDLHX-UHFFFAOYSA-N 0 1 284.385 2.007 20 5 CEBDMN O=[N+]([O-])c1ccc([O-])cc1C[N@H+]1CCC12CCOCC2 ZINC000618614673 348998114 /nfs/dbraw/zinc/99/81/14/348998114.db2.gz SDCQYPWBFOYBSH-UHFFFAOYSA-N 0 1 278.308 2.055 20 5 CEBDMN O=[N+]([O-])c1cccc(CN2CC(C3CCOCC3)C2)c1 ZINC000619726597 349230351 /nfs/dbraw/zinc/23/03/51/349230351.db2.gz NJFPORJQYWYVGB-UHFFFAOYSA-N 0 1 276.336 2.453 20 5 CEBDMN CN(CCC1CC1)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000131279482 366038749 /nfs/dbraw/zinc/03/87/49/366038749.db2.gz PXOXYECKPAXKBP-UHFFFAOYSA-N 0 1 288.307 2.343 20 5 CEBDMN Cc1ncccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000072913602 363181378 /nfs/dbraw/zinc/18/13/78/363181378.db2.gz VVJFXNIXJWZSFJ-UHFFFAOYSA-N 0 1 293.304 2.099 20 5 CEBDMN COCC(C)(C)N(C)Cc1cc([N+](=O)[O-])ccc1OC ZINC000292464341 198298204 /nfs/dbraw/zinc/29/82/04/198298204.db2.gz ZDEKOEXUNGNRKF-UHFFFAOYSA-N 0 1 282.340 2.460 20 5 CEBDMN Cc1[nH]nc(C(=O)N2[C@H](C)CCC[C@@H]2C)c1[N+](=O)[O-] ZINC000073320590 363212392 /nfs/dbraw/zinc/21/23/92/363212392.db2.gz YKXFWXGURBUMAP-OCAPTIKFSA-N 0 1 266.301 2.029 20 5 CEBDMN CCC[N@@H+](CC(=O)[O-])[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000086776083 283115856 /nfs/dbraw/zinc/11/58/56/283115856.db2.gz GADKOZNYAVRAJZ-SNVBAGLBSA-N 0 1 266.297 2.452 20 5 CEBDMN Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H](C)[C@H](C(=O)[O-])C1 ZINC000570094053 299237524 /nfs/dbraw/zinc/23/75/24/299237524.db2.gz YTVSUZMYDIAAPY-IINYFYTJSA-N 0 1 292.335 2.446 20 5 CEBDMN Cc1n[nH]cc1CN[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294922755 199250867 /nfs/dbraw/zinc/25/08/67/199250867.db2.gz XDGQIALJKSIJEZ-QMMMGPOBSA-N 0 1 275.312 2.059 20 5 CEBDMN O=c1ccc([N+](=O)[O-])cn1CCN1CC[C@H]1c1ccccc1 ZINC000341574980 216018575 /nfs/dbraw/zinc/01/85/75/216018575.db2.gz LTYYXESRZKLJOW-HNNXBMFYSA-N 0 1 299.330 2.204 20 5 CEBDMN CCOc1cc(NCCCc2nc[nH]n2)ccc1[N+](=O)[O-] ZINC000080588523 363671873 /nfs/dbraw/zinc/67/18/73/363671873.db2.gz XENMFMXPYKYCPA-UHFFFAOYSA-N 0 1 291.311 2.156 20 5 CEBDMN O=[N+]([O-])c1cc(Cl)ccc1NCCCc1nc[nH]n1 ZINC000080588781 363672434 /nfs/dbraw/zinc/67/24/34/363672434.db2.gz VGXNHNIJTPZYGC-UHFFFAOYSA-N 0 1 281.703 2.411 20 5 CEBDMN COCC(C)(C)[N@@H+](C)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000339208601 366694508 /nfs/dbraw/zinc/69/45/08/366694508.db2.gz BGLFIGWOJVZRRZ-UHFFFAOYSA-N 0 1 268.313 2.157 20 5 CEBDMN O=[N+]([O-])c1ccsc1Nc1cnn(-c2ncccn2)c1 ZINC000301936469 201267948 /nfs/dbraw/zinc/26/79/48/201267948.db2.gz QBIXDFMMYZTSSR-UHFFFAOYSA-N 0 1 288.292 2.376 20 5 CEBDMN Cc1cc([N+](=O)[O-])cnc1NCCN1CC=C(C)CC1 ZINC000302180434 201384889 /nfs/dbraw/zinc/38/48/89/201384889.db2.gz YDWSQRFRKHRDEN-UHFFFAOYSA-N 0 1 276.340 2.362 20 5 CEBDMN C[C@H](NC(=O)[C@H](N)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000237507980 370728760 /nfs/dbraw/zinc/72/87/60/370728760.db2.gz UUEDCXGVJPSSBW-XHDPSFHLSA-N 0 1 299.330 2.472 20 5 CEBDMN Cc1noc(C)c1NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356515293 370738080 /nfs/dbraw/zinc/73/80/80/370738080.db2.gz UELDZSXVKBJMQV-UHFFFAOYSA-N 0 1 277.236 2.158 20 5 CEBDMN COC[C@@H]1CCN(Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000094774894 364295114 /nfs/dbraw/zinc/29/51/14/364295114.db2.gz TYLPBCOBWHPHAV-LLVKDONJSA-N 0 1 268.288 2.202 20 5 CEBDMN C[C@H]1C[C@@H](Nc2c3c(ccc2[N+](=O)[O-])NCC3)CC[N@H+]1C ZINC000572082390 299344152 /nfs/dbraw/zinc/34/41/52/299344152.db2.gz NJHMTEXQCANHDN-QWRGUYRKSA-N 0 1 290.367 2.457 20 5 CEBDMN C[C@H](CC1CC1)NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000112691643 364828746 /nfs/dbraw/zinc/82/87/46/364828746.db2.gz MRGAKSVFNLBBRK-MRVPVSSYSA-N 0 1 288.307 2.390 20 5 CEBDMN C[C@H](C[S@@](C)=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000168173419 367348448 /nfs/dbraw/zinc/34/84/48/367348448.db2.gz HJYNPCPDKDMJKV-CVJBHZAOSA-N 0 1 290.772 2.105 20 5 CEBDMN C[C@H](C[S@@](C)=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000168205606 367350260 /nfs/dbraw/zinc/35/02/60/367350260.db2.gz WAAWQSXNZCRYCY-CVJBHZAOSA-N 0 1 290.772 2.105 20 5 CEBDMN CNC(=O)[C@H](C)CN(C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000176377879 368231434 /nfs/dbraw/zinc/23/14/34/368231434.db2.gz RZCUTCBGFPGAOP-SECBINFHSA-N 0 1 299.758 2.062 20 5 CEBDMN COc1ccc(CN(C)CCSC)cc1[N+](=O)[O-] ZINC000178506297 368302193 /nfs/dbraw/zinc/30/21/93/368302193.db2.gz AIODOSYQSDZRQT-UHFFFAOYSA-N 0 1 270.354 2.398 20 5 CEBDMN C[C@@H]1[C@@H](C(F)(F)F)CCN1CCn1ccc([N+](=O)[O-])n1 ZINC000348275570 368979952 /nfs/dbraw/zinc/97/99/52/368979952.db2.gz JQSMPQZJVMFSDR-BDAKNGLRSA-N 0 1 292.261 2.064 20 5 CEBDMN CCn1cc(CN(C)CCc2ccccc2[N+](=O)[O-])cn1 ZINC000348672789 369118327 /nfs/dbraw/zinc/11/83/27/369118327.db2.gz MZKVUYUXTQHSJA-UHFFFAOYSA-N 0 1 288.351 2.486 20 5 CEBDMN CN(Cc1ccccc1[N+](=O)[O-])C[C@@H](O)CC(F)(F)F ZINC000188618624 369383526 /nfs/dbraw/zinc/38/35/26/369383526.db2.gz WVOFIPBNSZDGCK-JTQLQIEISA-N 0 1 292.257 2.340 20 5 CEBDMN C[C@H](O)C1CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC000225791609 370319055 /nfs/dbraw/zinc/31/90/55/370319055.db2.gz NQWXQJPKGSNLSB-NSHDSACASA-N 0 1 264.325 2.188 20 5 CEBDMN Cc1cc(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)[nH]n1 ZINC000355550005 370596090 /nfs/dbraw/zinc/59/60/90/370596090.db2.gz XJHFKKJCLRHCEZ-UHFFFAOYSA-N 0 1 285.263 2.267 20 5 CEBDMN CCC[C@@H]1CNCCN1C(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000359222897 371382899 /nfs/dbraw/zinc/38/28/99/371382899.db2.gz KKSKPGHWPDNQRW-CYBMUJFWSA-N 0 1 291.351 2.117 20 5 CEBDMN CC[C@@H](C)CN(CC)Cc1c([N+](=O)[O-])ncn1C ZINC000361336773 371791776 /nfs/dbraw/zinc/79/17/76/371791776.db2.gz OUMIZOGECRVCLA-SNVBAGLBSA-N 0 1 254.334 2.196 20 5 CEBDMN CCC[N@@H+](CC(=O)[O-])Cc1ccc([N+](=O)[O-])cc1C ZINC000262929762 371924691 /nfs/dbraw/zinc/92/46/91/371924691.db2.gz AELDNOMXOCIIAJ-UHFFFAOYSA-N 0 1 266.297 2.200 20 5 CEBDMN O=C(N[C@@H]1CCCc2cn[nH]c21)c1cccc([N+](=O)[O-])c1 ZINC000268915206 372286320 /nfs/dbraw/zinc/28/63/20/372286320.db2.gz BPNCFWRDVAEGBH-GFCCVEGCSA-N 0 1 286.291 2.125 20 5 CEBDMN CCCCOCCCNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000269128727 372350884 /nfs/dbraw/zinc/35/08/84/372350884.db2.gz KIYZKGDNNSFVIM-UHFFFAOYSA-N 0 1 296.323 2.237 20 5 CEBDMN Cc1ccccc1[C@]1(F)CCN(C(=O)[C@H]2CC2[N+](=O)[O-])C1 ZINC000370005465 373553428 /nfs/dbraw/zinc/55/34/28/373553428.db2.gz GOMLSDKXBWYLEQ-WHOFXGATSA-N 0 1 292.310 2.057 20 5 CEBDMN CC(C)C[C@@H](C)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272707405 373624207 /nfs/dbraw/zinc/62/42/07/373624207.db2.gz WPYYIQIBECSQKT-SECBINFHSA-N 0 1 266.297 2.465 20 5 CEBDMN CC(C)N(CC(F)F)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272699493 373621088 /nfs/dbraw/zinc/62/10/88/373621088.db2.gz SYJLGKXGWGHPNX-UHFFFAOYSA-N 0 1 288.250 2.416 20 5 CEBDMN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CC(c2ccccc2)C1 ZINC000371213600 373814997 /nfs/dbraw/zinc/81/49/97/373814997.db2.gz TYPWGQMUYHVWTG-NWINJMCUSA-N 0 1 274.320 2.056 20 5 CEBDMN CN(C(=O)[C@H]1CC1[N+](=O)[O-])C1CC(c2ccccc2)C1 ZINC000371213598 373815312 /nfs/dbraw/zinc/81/53/12/373815312.db2.gz TYPWGQMUYHVWTG-CLRIEMFWSA-N 0 1 274.320 2.056 20 5 CEBDMN C[C@H]1CCSCCN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000276853692 374325521 /nfs/dbraw/zinc/32/55/21/374325521.db2.gz LFTXECRNLCUHKW-VIFPVBQESA-N 0 1 296.348 2.268 20 5 CEBDMN O=C(N[C@@H]1CC[C@H](c2cccc(F)c2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000373707438 374408608 /nfs/dbraw/zinc/40/86/08/374408608.db2.gz RQSQOGCMTOPSIZ-IGHBBLSQSA-N 0 1 292.310 2.243 20 5 CEBDMN O=C([C@H]1CC1[N+](=O)[O-])N1Cc2ccccc2C2(CCC2)C1 ZINC000376029431 374693405 /nfs/dbraw/zinc/69/34/05/374693405.db2.gz NRZPZTRMGFDWSQ-JSGCOSHPSA-N 0 1 286.331 2.116 20 5 CEBDMN O=[N+]([O-])c1ccc(N[C@@H](c2nnc[nH]2)c2ccccc2)nc1 ZINC000376926351 374759320 /nfs/dbraw/zinc/75/93/20/374759320.db2.gz SLMRRZJKIALQKC-CYBMUJFWSA-N 0 1 296.290 2.309 20 5 CEBDMN C[C@@H]1[C@H](Cc2ccccc2)CCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000377250454 374824259 /nfs/dbraw/zinc/82/42/59/374824259.db2.gz NDOJRGQXHMSEQN-BEAPCOKYSA-N 0 1 288.347 2.131 20 5 CEBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@H](Cc2ccccc2)C1 ZINC000377559286 374884120 /nfs/dbraw/zinc/88/41/20/374884120.db2.gz NBSJDJXIDZXFGD-RBSFLKMASA-N 0 1 288.347 2.133 20 5 CEBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@H]1/C=C/c1ccccc1 ZINC000378590343 375132814 /nfs/dbraw/zinc/13/28/14/375132814.db2.gz PUGTUBIPFNZLNI-SCAYIUIISA-N 0 1 286.331 2.356 20 5 CEBDMN C[C@H](O)[C@@H]1CCCCN1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000283254603 375680439 /nfs/dbraw/zinc/68/04/39/375680439.db2.gz VQCLZXRIKLTHCK-GWCFXTLKSA-N 0 1 282.315 2.469 20 5 CEBDMN C[C@@H](N[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1cnn(C)c1 ZINC000283921992 375781069 /nfs/dbraw/zinc/78/10/69/375781069.db2.gz DRJIZCVWVZFVPP-VHSXEESVSA-N 0 1 289.339 2.322 20 5 CEBDMN CC(=O)c1cc([N+](=O)[O-])ccc1NCCN1CCCC1 ZINC000286221019 375876235 /nfs/dbraw/zinc/87/62/35/375876235.db2.gz GXTZCAZPCBDZBZ-UHFFFAOYSA-N 0 1 277.324 2.305 20 5 CEBDMN Cc1c(NC(=O)N2CCNC(C)(C)C2)cccc1[N+](=O)[O-] ZINC000414693115 375922241 /nfs/dbraw/zinc/92/22/41/375922241.db2.gz DPGUOTWGCSXFCK-UHFFFAOYSA-N 0 1 292.339 2.119 20 5 CEBDMN COc1cc(CN2CCCC[C@@H]2[C@@H](C)O)ccc1[N+](=O)[O-] ZINC000305823942 376506333 /nfs/dbraw/zinc/50/63/33/376506333.db2.gz MCFFPXWVCFMXME-DGCLKSJQSA-N 0 1 294.351 2.339 20 5 CEBDMN C[C@H]1CC[C@H](C(N)=O)C[N@H+]1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000330566914 377188863 /nfs/dbraw/zinc/18/88/63/377188863.db2.gz AWDNRHYBQIIYAD-UWVGGRQHSA-N 0 1 293.323 2.436 20 5 CEBDMN CN1CCC[C@H]1C(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000331201842 377326028 /nfs/dbraw/zinc/32/60/28/377326028.db2.gz XGRIYZCVYQYCHN-ZDUSSCGKSA-N 0 1 291.351 2.040 20 5 CEBDMN CN1CCC[C@@H]1C(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000331201841 377326528 /nfs/dbraw/zinc/32/65/28/377326528.db2.gz XGRIYZCVYQYCHN-CYBMUJFWSA-N 0 1 291.351 2.040 20 5 CEBDMN CCOc1cc(CN2CC[C@@H](C)[C@@H](O)C2)ccc1[N+](=O)[O-] ZINC000331154015 377305718 /nfs/dbraw/zinc/30/57/18/377305718.db2.gz IZXGOXRLXKSJNI-RISCZKNCSA-N 0 1 294.351 2.196 20 5 CEBDMN O=[N+]([O-])c1cc(CN2CCN(C3CCC3)CC2)cs1 ZINC000264958848 190147590 /nfs/dbraw/zinc/14/75/90/190147590.db2.gz FKAMJPYTYKVXIV-UHFFFAOYSA-N 0 1 281.381 2.326 20 5 CEBDMN CCCc1[nH]nc(C(=O)N2CC[C@@H]2C(C)C)c1[N+](=O)[O-] ZINC000331444470 377431916 /nfs/dbraw/zinc/43/19/16/377431916.db2.gz WJILZLULHBFCGY-SNVBAGLBSA-N 0 1 280.328 2.141 20 5 CEBDMN CCN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)C1CCC1 ZINC000332435064 377603520 /nfs/dbraw/zinc/60/35/20/377603520.db2.gz IKZDYWKQTMUTBJ-UHFFFAOYSA-N 0 1 264.281 2.315 20 5 CEBDMN CC1(C)COC[C@H]1NCc1ccc([N+](=O)[O-])cc1F ZINC000313037334 249377401 /nfs/dbraw/zinc/37/74/01/249377401.db2.gz YOMWKGMLGSWMHG-GFCCVEGCSA-N 0 1 268.288 2.249 20 5 CEBDMN C[C@H](N[C@H]1CCN(C2CC2)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000451108176 378710353 /nfs/dbraw/zinc/71/03/53/378710353.db2.gz VWSVYAPOEHSQRG-HZMBPMFUSA-N 0 1 289.335 2.009 20 5 CEBDMN CC[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])C1CCCC1 ZINC000456668607 379519498 /nfs/dbraw/zinc/51/94/98/379519498.db2.gz VULXBXJGEREUER-SECBINFHSA-N 0 1 266.301 2.017 20 5 CEBDMN CC[C@@H](C)CN(CC)C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000267120927 190304975 /nfs/dbraw/zinc/30/49/75/190304975.db2.gz PNXDFQCGDFLHQL-MRVPVSSYSA-N 0 1 268.317 2.135 20 5 CEBDMN Cc1cc(N2CCC[C@H](O)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000227368398 394472558 /nfs/dbraw/zinc/47/25/58/394472558.db2.gz ALNXCHCVZJSEFN-LBPRGKRZSA-N 0 1 287.319 2.413 20 5 CEBDMN Cc1ccc([C@@H](C)N[C@@H](C)C(=O)NC(C)C)cc1[N+](=O)[O-] ZINC000228938650 394477001 /nfs/dbraw/zinc/47/70/01/394477001.db2.gz JPIDIDMPCWSNEW-NEPJUHHUSA-N 0 1 293.367 2.467 20 5 CEBDMN C[C@H]1[C@H](C)N(Cc2ccc([N+](=O)[O-])cc2F)CCN1C ZINC000357008836 394680297 /nfs/dbraw/zinc/68/02/97/394680297.db2.gz VDHQVWHWZVCJJZ-QWRGUYRKSA-N 0 1 281.331 2.258 20 5 CEBDMN CN1CC[C@H]2CCN(c3ncc([N+](=O)[O-])cc3Cl)[C@@H]2C1 ZINC000272232315 394769144 /nfs/dbraw/zinc/76/91/44/394769144.db2.gz UXCUSNBRWBDQEH-JOYOIKCWSA-N 0 1 296.758 2.174 20 5 CEBDMN CC(C)C[C@@H](CO)[N@@H+](C)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000339098482 394943049 /nfs/dbraw/zinc/94/30/49/394943049.db2.gz IISAGUSDTPZOAL-LBPRGKRZSA-N 0 1 282.340 2.139 20 5 CEBDMN Cc1cc(N2CCC[C@H](c3nc[nH]n3)C2)ccc1[N+](=O)[O-] ZINC000370843842 395017067 /nfs/dbraw/zinc/01/70/67/395017067.db2.gz RPDFBYJMIVKNKK-NSHDSACASA-N 0 1 287.323 2.405 20 5 CEBDMN Cc1nc([C@H]2CCCCN2c2ncccc2[N+](=O)[O-])n[nH]1 ZINC000371106168 395024565 /nfs/dbraw/zinc/02/45/65/395024565.db2.gz IZWSGPVNEIOLAY-SNVBAGLBSA-N 0 1 288.311 2.148 20 5 CEBDMN COC(=O)C(C)(C)CCNCc1csc([N+](=O)[O-])c1 ZINC000285582355 394959886 /nfs/dbraw/zinc/95/98/86/394959886.db2.gz UCLDSVPPLPCUJA-UHFFFAOYSA-N 0 1 286.353 2.335 20 5 CEBDMN CCOC(=O)CSCc1cc(O)ccc1[N+](=O)[O-] ZINC000436472973 395119774 /nfs/dbraw/zinc/11/97/74/395119774.db2.gz CRLJBPTUACGPHT-UHFFFAOYSA-N 0 1 271.294 2.097 20 5 CEBDMN O=[N+]([O-])c1ccc(O)cc1CSc1ncc[nH]1 ZINC000436476665 395119795 /nfs/dbraw/zinc/11/97/95/395119795.db2.gz SLMZZWIDETZEBS-UHFFFAOYSA-N 0 1 251.267 2.316 20 5 CEBDMN C[C@H]1C[C@@H](CO)CN(Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000398814796 395237927 /nfs/dbraw/zinc/23/79/27/395237927.db2.gz QNBZNZWYGSJPCR-WDEREUQCSA-N 0 1 282.315 2.184 20 5 CEBDMN Cc1ccc([C@H](C)N[C@@H]2CCCN(C)C2=O)cc1[N+](=O)[O-] ZINC000351917779 395239236 /nfs/dbraw/zinc/23/92/36/395239236.db2.gz RCYWGOILWJLMTC-WCQYABFASA-N 0 1 291.351 2.175 20 5 CEBDMN Cc1c(CN(C)[C@H](CO)COC(C)C)cccc1[N+](=O)[O-] ZINC000433160066 395206575 /nfs/dbraw/zinc/20/65/75/395206575.db2.gz GGOHWTDIHGBIEA-CQSZACIVSA-N 0 1 296.367 2.121 20 5 CEBDMN CC[C@@H](C)N1CCN(c2ncc(C)cc2[N+](=O)[O-])CC1 ZINC000295974397 395304717 /nfs/dbraw/zinc/30/47/17/395304717.db2.gz KPDWUDZKHHDHFM-GFCCVEGCSA-N 0 1 278.356 2.219 20 5 CEBDMN Cc1cccc(NCCN2CCCOCC2)c1[N+](=O)[O-] ZINC000188496812 395315785 /nfs/dbraw/zinc/31/57/85/395315785.db2.gz VNWAVDGGGMDLAH-UHFFFAOYSA-N 0 1 279.340 2.037 20 5 CEBDMN O=[N+]([O-])c1cccc(CN2CCC(CCO)CC2)c1 ZINC000401072905 395255955 /nfs/dbraw/zinc/25/59/55/395255955.db2.gz NRQAYRUNEZDFBV-UHFFFAOYSA-N 0 1 264.325 2.189 20 5 CEBDMN C[C@H]1CCCCCN1Cc1c([N+](=O)[O-])ncn1C ZINC000355335974 395414382 /nfs/dbraw/zinc/41/43/82/395414382.db2.gz CQUBIEXUTCWVSQ-JTQLQIEISA-N 0 1 252.318 2.093 20 5 CEBDMN C[C@@H]1CCC[C@H](C)N1Cc1c([N+](=O)[O-])ncn1C ZINC000355344728 395415792 /nfs/dbraw/zinc/41/57/92/395415792.db2.gz DWFLEJAUYVXDLN-AOOOYVTPSA-N 0 1 252.318 2.091 20 5 CEBDMN CC(C)C[C@@H]1CCN(Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000355346406 395416755 /nfs/dbraw/zinc/41/67/55/395416755.db2.gz ULXXSBUPFXPYBM-NSHDSACASA-N 0 1 266.345 2.196 20 5 CEBDMN C[C@@H]1CC[C@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000444483097 395433459 /nfs/dbraw/zinc/43/34/59/395433459.db2.gz NIUNYRXPHLGVQF-SCZZXKLOSA-N 0 1 264.281 2.219 20 5 CEBDMN Cc1cccc([N+](=O)[O-])c1C(=O)N1CCN(C)CC[C@@H]1C ZINC000446035095 395478671 /nfs/dbraw/zinc/47/86/71/395478671.db2.gz AKKZGWKPCVFDKL-LBPRGKRZSA-N 0 1 291.351 2.069 20 5 CEBDMN O=C(NCCC1(F)CCC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000360222619 155246896 /nfs/dbraw/zinc/24/68/96/155246896.db2.gz UERZETFKHXSSEH-UHFFFAOYSA-N 0 1 282.271 2.313 20 5 CEBDMN O=C(N[C@H]1CC[C@@H](F)C1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000360356698 155280383 /nfs/dbraw/zinc/28/03/83/155280383.db2.gz WYWPHAGWHJXVPB-SFYZADRCSA-N 0 1 292.270 2.092 20 5 CEBDMN Cc1c(CNC[C@](C)(O)C(F)(F)F)cccc1[N+](=O)[O-] ZINC000312886714 289281648 /nfs/dbraw/zinc/28/16/48/289281648.db2.gz WAUFSPFVKPMDJA-NSHDSACASA-N 0 1 292.257 2.306 20 5 CEBDMN Cc1n[nH]c(C(=O)NCc2cccc([N+](=O)[O-])c2C)c1C ZINC000360527159 155318536 /nfs/dbraw/zinc/31/85/36/155318536.db2.gz XIXDMYGWWYIOCS-UHFFFAOYSA-N 0 1 288.307 2.173 20 5 CEBDMN C[C@@H]1C[C@H](c2ccccc2)[C@H](C)N1C(=O)[C@H]1CC1[N+](=O)[O-] ZINC000360538189 155321066 /nfs/dbraw/zinc/32/10/66/155321066.db2.gz JBHZUYHWNJFNKU-VJFWYMLFSA-N 0 1 288.347 2.445 20 5 CEBDMN Cc1ccc(NC(=O)CCc2cnc[nH]2)cc1[N+](=O)[O-] ZINC000188391427 153055272 /nfs/dbraw/zinc/05/52/72/153055272.db2.gz CMHYFISYUHCZQU-UHFFFAOYSA-N 0 1 274.280 2.198 20 5 CEBDMN Cc1cccc([N+](=O)[O-])c1C(=O)N(C)[C@@H]1CCCN(C)C1 ZINC000194756469 153267612 /nfs/dbraw/zinc/26/76/12/153267612.db2.gz PGRIPPJZZDIUEE-GFCCVEGCSA-N 0 1 291.351 2.069 20 5 CEBDMN Cc1c(C[N@H+]2C[C@H](C)C[C@H](C(=O)[O-])C2)cccc1[N+](=O)[O-] ZINC000263110681 154020020 /nfs/dbraw/zinc/02/00/20/154020020.db2.gz BSHMCHXHQXQQHP-MFKMUULPSA-N 0 1 292.335 2.446 20 5 CEBDMN Cc1ccc([C@@H]2CCCN2C(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC000363210065 156009331 /nfs/dbraw/zinc/00/93/31/156009331.db2.gz ABUFGGHSULYELF-HZSPNIEDSA-N 0 1 274.320 2.324 20 5 CEBDMN O=[N+]([O-])c1ccccc1CN1CCC2(CCO2)CC1 ZINC000367102102 156132442 /nfs/dbraw/zinc/13/24/42/156132442.db2.gz UYSMSVCFPULJPR-UHFFFAOYSA-N 0 1 262.309 2.350 20 5 CEBDMN O=[N+]([O-])c1ccccc1/C=C/CN1C[C@H](O)C2(CC2)C1 ZINC000375285508 157072614 /nfs/dbraw/zinc/07/26/14/157072614.db2.gz CZGPROTXHPPWFS-KQIUPUNMSA-N 0 1 274.320 2.065 20 5 CEBDMN Cc1c([C@H](C)NCC(=O)NC(C)(C)C)cccc1[N+](=O)[O-] ZINC000177765427 165206866 /nfs/dbraw/zinc/20/68/66/165206866.db2.gz JVQUITWVJOWTOV-NSHDSACASA-N 0 1 293.367 2.469 20 5 CEBDMN Cc1cc(CN[C@H](C)c2cccc([N+](=O)[O-])c2)n(C)n1 ZINC000284251979 196013207 /nfs/dbraw/zinc/01/32/07/196013207.db2.gz IONVHFDRKRLLOR-LLVKDONJSA-N 0 1 274.324 2.488 20 5 CEBDMN CC(C)N1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000020544136 171242934 /nfs/dbraw/zinc/24/29/34/171242934.db2.gz FTDKMNIZGXGGFQ-UHFFFAOYSA-N 0 1 292.339 2.153 20 5 CEBDMN O=[N+]([O-])c1ccn(CCN2CCC=C(c3ccco3)C2)n1 ZINC000285210496 196222308 /nfs/dbraw/zinc/22/23/08/196222308.db2.gz DOWIFYZLBCQADJ-UHFFFAOYSA-N 0 1 288.307 2.174 20 5 CEBDMN CCOC[C@H](C)NCc1cc([N+](=O)[O-])ccc1OC ZINC000044724088 175237182 /nfs/dbraw/zinc/23/71/82/175237182.db2.gz LXKRIMLTVMUKOT-JTQLQIEISA-N 0 1 268.313 2.118 20 5 CEBDMN C[C@@H](NCc1ccnn1C)c1ccc([N+](=O)[O-])cc1 ZINC000071333289 176126105 /nfs/dbraw/zinc/12/61/05/176126105.db2.gz RJDNDCBJSFXPJA-SNVBAGLBSA-N 0 1 260.297 2.179 20 5 CEBDMN O=[N+]([O-])c1cccc(F)c1CN[C@H](CO)C1CCCC1 ZINC000352707361 227176257 /nfs/dbraw/zinc/17/62/57/227176257.db2.gz ADPGKJFAEYUYBS-CYBMUJFWSA-N 0 1 282.315 2.375 20 5 CEBDMN COc1ccc(NC(=O)CN(C)C2CCC2)c([N+](=O)[O-])c1 ZINC000072722519 260278187 /nfs/dbraw/zinc/27/81/87/260278187.db2.gz LJHZPOYVJUSLGR-UHFFFAOYSA-N 0 1 293.323 2.026 20 5 CEBDMN CCc1n[nH]c(NC(=O)c2c(Cl)cccc2[N+](=O)[O-])n1 ZINC000182253032 262148680 /nfs/dbraw/zinc/14/86/80/262148680.db2.gz RTHRZUFRQIVTDY-UHFFFAOYSA-N 0 1 295.686 2.181 20 5 CEBDMN CCc1nc(NC(=O)c2c(Cl)cccc2[N+](=O)[O-])n[nH]1 ZINC000182253032 262148682 /nfs/dbraw/zinc/14/86/82/262148682.db2.gz RTHRZUFRQIVTDY-UHFFFAOYSA-N 0 1 295.686 2.181 20 5 CEBDMN C[C@@H]1CN(C)CCN1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000352028270 274333093 /nfs/dbraw/zinc/33/30/93/274333093.db2.gz PRHDMWFDYDNTGQ-SECBINFHSA-N 0 1 285.294 2.009 20 5 CEBDMN O=[N+]([O-])c1cnc(N2CC[C@H](N3CCCC3)C2)c(Cl)c1 ZINC000301279121 275041211 /nfs/dbraw/zinc/04/12/11/275041211.db2.gz NEWVFFPCJLSAAS-JTQLQIEISA-N 0 1 296.758 2.318 20 5 CEBDMN CC(C)c1[nH]nc(C(=O)N2CC[C@H](C3CC3)C2)c1[N+](=O)[O-] ZINC000345047682 276041113 /nfs/dbraw/zinc/04/11/13/276041113.db2.gz AGRAYLUVTDFGES-JTQLQIEISA-N 0 1 292.339 2.313 20 5 CEBDMN CC(C)c1ccc(C(=O)N2CC(N(C)C)C2)cc1[N+](=O)[O-] ZINC000275956717 276048344 /nfs/dbraw/zinc/04/83/44/276048344.db2.gz BHLGVKZXLMIXGR-UHFFFAOYSA-N 0 1 291.351 2.104 20 5 CEBDMN CCC[C@H]1CNCCN1C(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000359217955 276050433 /nfs/dbraw/zinc/05/04/33/276050433.db2.gz GUZHGIBOTCHYHR-ZDUSSCGKSA-N 0 1 291.351 2.117 20 5 CEBDMN Cc1[nH]ncc1C(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000134544839 280025384 /nfs/dbraw/zinc/02/53/84/280025384.db2.gz QWOPUYBNFCZZDW-UHFFFAOYSA-N 0 1 274.280 2.495 20 5 CEBDMN COc1cc(CN2[C@H](C)C[C@@H](O)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000429312132 281233199 /nfs/dbraw/zinc/23/31/99/281233199.db2.gz OBBGGJHQECOFIQ-PTEHBNRSSA-N 0 1 294.351 2.337 20 5 CEBDMN CC(C)(C)C1CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000457339383 289761598 /nfs/dbraw/zinc/76/15/98/289761598.db2.gz GYNKIHQZXZTKQI-UHFFFAOYSA-N 0 1 278.308 2.419 20 5 CEBDMN CN1CCN(c2ccc([N+](=O)[O-])nc2)[C@H](c2ccccc2)C1 ZINC000344414766 290057997 /nfs/dbraw/zinc/05/79/97/290057997.db2.gz GNWQKCAHPADTIF-HNNXBMFYSA-N 0 1 298.346 2.483 20 5 CEBDMN CC[C@@H](NCCn1ccc([N+](=O)[O-])n1)c1nc(C)cs1 ZINC000184354824 321730167 /nfs/dbraw/zinc/73/01/67/321730167.db2.gz DHEUCAZPPQXARS-SNVBAGLBSA-N 0 1 295.368 2.297 20 5 CEBDMN C[C@@H]1CC[C@H](C(=O)[O-])C[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000397007392 329319511 /nfs/dbraw/zinc/31/95/11/329319511.db2.gz LSJOUKBYOZJZIT-YPMHNXCESA-N 0 1 292.335 2.322 20 5 CEBDMN Cc1cc([N+](=O)[O-])ccc1CN1CCN(C2CC2)CC1 ZINC000183253295 525563833 /nfs/dbraw/zinc/56/38/33/525563833.db2.gz USTQDABBQSGDHO-UHFFFAOYSA-N 0 1 275.352 2.183 20 5 CEBDMN C[C@@H](Nc1ccc2ncccc2c1[N+](=O)[O-])c1nnc[nH]1 ZINC000226500135 525714933 /nfs/dbraw/zinc/71/49/33/525714933.db2.gz BDHBUSJOZSLKDX-MRVPVSSYSA-N 0 1 284.279 2.434 20 5 CEBDMN Cc1[nH]ncc1CNc1ncc(Cl)cc1[N+](=O)[O-] ZINC000148474385 526556391 /nfs/dbraw/zinc/55/63/91/526556391.db2.gz URLFSVIZOYVXIQ-UHFFFAOYSA-N 0 1 267.676 2.287 20 5 CEBDMN CN(C(=O)[O-])[C@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000739588072 574927806 /nfs/dbraw/zinc/92/78/06/574927806.db2.gz YPWGQTPUHQBEHW-ZDUSSCGKSA-N 0 1 293.323 2.169 20 5 CEBDMN CN(C(=O)[O-])[C@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000739588072 574927808 /nfs/dbraw/zinc/92/78/08/574927808.db2.gz YPWGQTPUHQBEHW-ZDUSSCGKSA-N 0 1 293.323 2.169 20 5 CEBDMN Cc1nn(CN2CCC(C)(C)C2)c2ncc([N+](=O)[O-])cc12 ZINC000749959646 575242258 /nfs/dbraw/zinc/24/22/58/575242258.db2.gz KFJGSVDBNPSUOL-UHFFFAOYSA-N 0 1 289.339 2.337 20 5 CEBDMN O=C([O-])[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000062133366 597720229 /nfs/dbraw/zinc/72/02/29/597720229.db2.gz SRGBMFPIVDWEMR-SECBINFHSA-N 0 1 284.699 2.155 20 5 CEBDMN C[C@@H]1C[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C[C@@H]1C(=O)[O-] ZINC000833618288 604664615 /nfs/dbraw/zinc/66/46/15/604664615.db2.gz ABRSJAUEIBSJBU-FJYXQWIHSA-N 0 1 290.319 2.261 20 5 CEBDMN Cc1nn(C)cc1CNCc1ccc(C)c([N+](=O)[O-])c1 ZINC000125570652 649952207 /nfs/dbraw/zinc/95/22/07/649952207.db2.gz CPBFZBIVKXROIW-UHFFFAOYSA-N 0 1 274.324 2.235 20 5 CEBDMN Cc1nsc(NC(=O)c2cc(F)cc(C)c2[N+](=O)[O-])n1 ZINC000120308719 622638061 /nfs/dbraw/zinc/63/80/61/622638061.db2.gz GJADKIMTZMTYOJ-UHFFFAOYSA-N 0 1 296.283 2.455 20 5 CEBDMN C[C@@H]1CCN(Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000725778721 624776293 /nfs/dbraw/zinc/77/62/93/624776293.db2.gz ONKPSORFZOFSMK-LLVKDONJSA-N 0 1 287.323 2.153 20 5 CEBDMN C[C@H]1CCN(Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000725780448 624777318 /nfs/dbraw/zinc/77/73/18/624777318.db2.gz YTQOFWUVKCQRSQ-JTQLQIEISA-N 0 1 260.297 2.244 20 5 CEBDMN CC(C)(COC(=O)[C@@H]1CC1[N+](=O)[O-])CC(F)(F)F ZINC000851242053 627633803 /nfs/dbraw/zinc/63/38/03/627633803.db2.gz AAGQWJYJACFDRY-RNFRBKRXSA-N 0 1 269.219 2.173 20 5 CEBDMN CCN(CC[N+](=O)[O-])[C@H](C)c1cccc(OC)c1 ZINC000791051627 629238498 /nfs/dbraw/zinc/23/84/98/629238498.db2.gz HCBBJNFWGUCHAJ-LLVKDONJSA-N 0 1 252.314 2.355 20 5 CEBDMN O=C(OCCCCc1ccccc1)[C@@H]1CC1[N+](=O)[O-] ZINC000840672972 629348094 /nfs/dbraw/zinc/34/80/94/629348094.db2.gz GYLHCXQHCJJZEZ-CHWSQXEVSA-N 0 1 263.293 2.218 20 5 CEBDMN Nc1ccc(NS(=O)(=O)c2ccsc2)cc1[N+](=O)[O-] ZINC000795286469 629507204 /nfs/dbraw/zinc/50/72/04/629507204.db2.gz NAAWIUGFHVKGMN-UHFFFAOYSA-N 0 1 299.333 2.039 20 5 CEBDMN Cc1ccnc(N2CCN(C)[C@@H](C(C)(C)C)C2)c1[N+](=O)[O-] ZINC000895100397 629896108 /nfs/dbraw/zinc/89/61/08/629896108.db2.gz CERLQXXQSUGVHC-GFCCVEGCSA-N 0 1 292.383 2.465 20 5 CEBDMN Cc1n[nH]c(C2CN(c3ccc(Cl)cc3[N+](=O)[O-])C2)n1 ZINC000895328844 630114238 /nfs/dbraw/zinc/11/42/38/630114238.db2.gz NYNMQIVHISKNMQ-UHFFFAOYSA-N 0 1 293.714 2.279 20 5 CEBDMN Cc1nc(C2CN(c3ccc(Cl)cc3[N+](=O)[O-])C2)n[nH]1 ZINC000895328844 630114239 /nfs/dbraw/zinc/11/42/39/630114239.db2.gz NYNMQIVHISKNMQ-UHFFFAOYSA-N 0 1 293.714 2.279 20 5 CEBDMN C[C@@H]1[C@H](Nc2nc3c(cc2[N+](=O)[O-])CCCC3)CC[N@H+]1C ZINC000895734961 630324948 /nfs/dbraw/zinc/32/49/48/630324948.db2.gz BGPVCLBBWBRRSA-ZYHUDNBSSA-N 0 1 290.367 2.373 20 5 CEBDMN CC(=O)c1ccc(N[C@@H]2CC[N@@H+](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000895736305 630325521 /nfs/dbraw/zinc/32/55/21/630325521.db2.gz KDXGHQXUDNNYKT-BXKDBHETSA-N 0 1 277.324 2.302 20 5 CEBDMN CC(=O)c1ccc(N[C@@H]2CCN(C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000895736305 630325524 /nfs/dbraw/zinc/32/55/24/630325524.db2.gz KDXGHQXUDNNYKT-BXKDBHETSA-N 0 1 277.324 2.302 20 5 CEBDMN CC(=O)c1cc(N[C@H]2CC[N@@H+](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000895735956 630325807 /nfs/dbraw/zinc/32/58/07/630325807.db2.gz JBMIOACSASAZOV-RNCFNFMXSA-N 0 1 277.324 2.302 20 5 CEBDMN CC(=O)c1cc(N[C@H]2CCN(C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000895735956 630325808 /nfs/dbraw/zinc/32/58/08/630325808.db2.gz JBMIOACSASAZOV-RNCFNFMXSA-N 0 1 277.324 2.302 20 5 CEBDMN O=[N+]([O-])CCNCc1ccccc1N1CCCCC1 ZINC000905199877 635878026 /nfs/dbraw/zinc/87/80/26/635878026.db2.gz CHAQUXNENGUNBB-UHFFFAOYSA-N 0 1 263.341 2.043 20 5 CEBDMN CC[C@H](c1ccncc1)N(CC)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840359323 633918639 /nfs/dbraw/zinc/91/86/39/633918639.db2.gz SKDGQLVIIYKMEI-JHJVBQTASA-N 0 1 277.324 2.046 20 5 CEBDMN O=C(Nc1ccccc1CC(F)(F)F)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000840364869 633968529 /nfs/dbraw/zinc/96/85/29/633968529.db2.gz HFFFNXKIBOQWMS-PSASIEDQSA-N 0 1 288.225 2.395 20 5 CEBDMN CSC[C@@H](O)CNCc1cc([N+](=O)[O-])ccc1Cl ZINC000819151039 634084537 /nfs/dbraw/zinc/08/45/37/634084537.db2.gz VSIAVEJMQJABFX-JTQLQIEISA-N 0 1 290.772 2.062 20 5 CEBDMN CC[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])CC(=O)[O-] ZINC000901426531 634105479 /nfs/dbraw/zinc/10/54/79/634105479.db2.gz KWNLMHVJZUZOGI-FNORWQNLSA-N 0 1 264.281 2.015 20 5 CEBDMN O=[N+]([O-])c1ccc(N2CC[C@@H](c3nc[nH]n3)C2)c(Cl)c1 ZINC000819949471 634294825 /nfs/dbraw/zinc/29/48/25/634294825.db2.gz WIDFWHXJKDESQR-MRVPVSSYSA-N 0 1 293.714 2.360 20 5 CEBDMN O=[N+]([O-])c1ccc(N2CC[C@H](c3nc[nH]n3)C2)c(Cl)c1 ZINC000819949473 634295011 /nfs/dbraw/zinc/29/50/11/634295011.db2.gz WIDFWHXJKDESQR-QMMMGPOBSA-N 0 1 293.714 2.360 20 5 CEBDMN CCN1CCC[C@@H](N[C@H](C)c2ccc([N+](=O)[O-])cc2)C1=O ZINC000903392986 635089348 /nfs/dbraw/zinc/08/93/48/635089348.db2.gz CTARULKNYNJROR-BXUZGUMPSA-N 0 1 291.351 2.256 20 5 CEBDMN CC(C)C[C@H](C(=O)[O-])[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000903712524 635244439 /nfs/dbraw/zinc/24/44/39/635244439.db2.gz MYCKHIFKHSIMAH-CQSZACIVSA-N 0 1 292.335 2.452 20 5 CEBDMN C[C@@H]1CNCCN1C(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000876515678 650298686 /nfs/dbraw/zinc/29/86/86/650298686.db2.gz VWEUSKKDQSVEIZ-LLVKDONJSA-N 0 1 299.330 2.182 20 5 CEBDMN O=C(NCC[C@@H]1CC[C@H]2C[C@H]21)c1cc(O)cc([N+](=O)[O-])c1 ZINC000927482677 637223768 /nfs/dbraw/zinc/22/37/68/637223768.db2.gz HQLWMEVHYLAUTA-BHDSKKPTSA-N 0 1 290.319 2.466 20 5 CEBDMN C[S@](=O)CCN1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000831538596 637365146 /nfs/dbraw/zinc/36/51/46/637365146.db2.gz GIQSACSTJQXJDF-XCLFUZPHSA-N 0 1 296.392 2.153 20 5 CEBDMN O=C(CSC(F)F)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837383940 639209782 /nfs/dbraw/zinc/20/97/82/639209782.db2.gz OYNNSBDTRFSELV-UHFFFAOYSA-N 0 1 293.247 2.299 20 5 CEBDMN COC1(CC(=O)OCc2cc(O)ccc2[N+](=O)[O-])CCC1 ZINC000837662358 639331803 /nfs/dbraw/zinc/33/18/03/639331803.db2.gz KQOANFWNSXWIMV-UHFFFAOYSA-N 0 1 295.291 2.303 20 5 CEBDMN O=C(C[C@H]1CCCOC1)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837695146 639346066 /nfs/dbraw/zinc/34/60/66/639346066.db2.gz DYKRCZGCPCIMHR-SNVBAGLBSA-N 0 1 295.291 2.160 20 5 CEBDMN COC[C@H](C)[C@H](C)C(=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837739340 639368304 /nfs/dbraw/zinc/36/83/04/639368304.db2.gz UYERAJDRXGTWSJ-UWVGGRQHSA-N 0 1 297.307 2.262 20 5 CEBDMN C[C@@H](C[S@](C)=O)NCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000168187723 639563109 /nfs/dbraw/zinc/56/31/09/639563109.db2.gz JZCPNDDPRDGVMO-DCXZOGHSSA-N 0 1 290.772 2.105 20 5 CEBDMN O=C(O[C@H](c1ccccc1)c1ccccn1)[C@@H]1CC1[N+](=O)[O-] ZINC000841023301 639619492 /nfs/dbraw/zinc/61/94/92/639619492.db2.gz AKPSSGBBLXOGBR-BPLDGKMQSA-N 0 1 298.298 2.379 20 5 CEBDMN CC(C)N(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CCCCC1 ZINC000841095579 639655803 /nfs/dbraw/zinc/65/58/03/639655803.db2.gz ZNEKFTZVHZJXLN-VXGBXAGGSA-N 0 1 254.330 2.221 20 5 CEBDMN CC[C@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])c1cccc(OC)c1 ZINC000841164636 639697023 /nfs/dbraw/zinc/69/70/23/639697023.db2.gz KAVYFSXDJXJIEJ-UPJWGTAASA-N 0 1 279.292 2.355 20 5 CEBDMN C[C@@H](NC1COC(C)(C)OC1)c1cccc([N+](=O)[O-])c1 ZINC000230680850 639778178 /nfs/dbraw/zinc/77/81/78/639778178.db2.gz IJEPEXWBXOAIEC-SNVBAGLBSA-N 0 1 280.324 2.397 20 5 CEBDMN CN(Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1)C1CCC1 ZINC000172964146 639833530 /nfs/dbraw/zinc/83/35/30/639833530.db2.gz XORZCBCUIKRBTF-UHFFFAOYSA-N 0 1 287.323 2.295 20 5 CEBDMN O=[N+]([O-])CCN1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000929621871 639998324 /nfs/dbraw/zinc/99/83/24/639998324.db2.gz KWMZJLZRVAXDMV-LLVKDONJSA-N 0 1 254.717 2.406 20 5 CEBDMN Cc1cc2cc(OC(=O)[C@@H]3CC3[N+](=O)[O-])ccc2n1C ZINC000842399445 640044520 /nfs/dbraw/zinc/04/45/20/640044520.db2.gz VWXJRVCILFGKIT-DGCLKSJQSA-N 0 1 274.276 2.057 20 5 CEBDMN Cc1cnc(CCOC(=O)c2ccc([N+](=O)[O-])[nH]2)c(C)c1 ZINC000842902366 640216951 /nfs/dbraw/zinc/21/69/51/640216951.db2.gz REUMAVZCONJUIH-UHFFFAOYSA-N 0 1 289.291 2.334 20 5 CEBDMN C[C@H]1CC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C[C@@H]1C(=O)[O-] ZINC000842937914 640225604 /nfs/dbraw/zinc/22/56/04/640225604.db2.gz SOGGZBMQCGHJQN-CABZTGNLSA-N 0 1 296.298 2.277 20 5 CEBDMN O=[N+]([O-])c1cc(CN[C@H]2COC[C@H]2C2CC2)cs1 ZINC000914433937 640405128 /nfs/dbraw/zinc/40/51/28/640405128.db2.gz YGDTYFYXZDYBPK-QWRGUYRKSA-N 0 1 268.338 2.171 20 5 CEBDMN CC1(C)CCC[C@H]1[C@H]1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000843696441 640500872 /nfs/dbraw/zinc/50/08/72/640500872.db2.gz NWTZERHRRLEMON-QNWHQSFQSA-N 0 1 280.368 2.326 20 5 CEBDMN CO[C@@H]1CCC[C@@H](OC(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000920123850 641118719 /nfs/dbraw/zinc/11/87/19/641118719.db2.gz JFPFSCHBKICQTC-RKDXNWHRSA-N 0 1 268.269 2.037 20 5 CEBDMN CC(=O)C1CCN(CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000846952939 641496523 /nfs/dbraw/zinc/49/65/23/641496523.db2.gz KKQHECZTFAWLAD-UHFFFAOYSA-N 0 1 292.335 2.275 20 5 CEBDMN CO[C@H](COC(=O)c1ccc([N+](=O)[O-])[nH]1)C1CCCC1 ZINC000851435561 643014484 /nfs/dbraw/zinc/01/44/84/643014484.db2.gz YEKOJTADCGJUDO-LLVKDONJSA-N 0 1 282.296 2.285 20 5 CEBDMN O=C(OC[C@@H]1[C@@H](c2ccccc2)C1(F)F)[C@@H]1CC1[N+](=O)[O-] ZINC000922802706 643271190 /nfs/dbraw/zinc/27/11/90/643271190.db2.gz OUZBQWWZSYSXDB-DDHJBXDOSA-N 0 1 297.257 2.244 20 5 CEBDMN CCCN(CCC)Cn1nc(C)c([N+](=O)[O-])c1C ZINC000074171494 643602718 /nfs/dbraw/zinc/60/27/18/643602718.db2.gz CCQSIBCTUDNDHB-UHFFFAOYSA-N 0 1 254.334 2.488 20 5 CEBDMN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)O[C@@H](C)c1nnc[nH]1 ZINC000853224824 643712600 /nfs/dbraw/zinc/71/26/00/643712600.db2.gz IKXRQBSUDNFULS-VIFPVBQESA-N 0 1 290.279 2.248 20 5 CEBDMN O=C(NCc1csc2ccccc12)[C@@H]1CC1[N+](=O)[O-] ZINC000839538840 644742068 /nfs/dbraw/zinc/74/20/68/644742068.db2.gz NIOWRYXFHDMSDI-GHMZBOCLSA-N 0 1 276.317 2.183 20 5 CEBDMN CC[C@@H](C)Oc1cccc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 ZINC000839573993 644746836 /nfs/dbraw/zinc/74/68/36/644746836.db2.gz IKARWVOHAPCCQC-OASPWFOLSA-N 0 1 278.308 2.468 20 5 CEBDMN CC(C)[C@H](O)CC[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000877917594 650947375 /nfs/dbraw/zinc/94/73/75/650947375.db2.gz YVZTUXFIACXRPM-CQSZACIVSA-N 0 1 266.341 2.434 20 5 CEBDMN CC(C)[C@H](O)CCN(C)Cc1ccccc1[N+](=O)[O-] ZINC000877917594 650947377 /nfs/dbraw/zinc/94/73/77/650947377.db2.gz YVZTUXFIACXRPM-CQSZACIVSA-N 0 1 266.341 2.434 20 5 CEBDMN O=C(NCC1(c2ccc(F)cc2)CCC1)[C@@H]1CC1[N+](=O)[O-] ZINC000839617216 644755845 /nfs/dbraw/zinc/75/58/45/644755845.db2.gz ZDQYBBJFOHDTRF-CHWSQXEVSA-N 0 1 292.310 2.029 20 5 CEBDMN CCC[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839652054 644763064 /nfs/dbraw/zinc/76/30/64/644763064.db2.gz SQSTYVGQYVCJHZ-WISYIIOYSA-N 0 1 254.330 2.127 20 5 CEBDMN O=C(N[C@H]1CCC[C@H]1Cc1ccccc1)[C@@H]1CC1[N+](=O)[O-] ZINC000839687934 644774403 /nfs/dbraw/zinc/77/44/03/644774403.db2.gz NCUHPLAADPNBMN-LJISPDSOSA-N 0 1 288.347 2.179 20 5 CEBDMN CC(C)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839695877 644776465 /nfs/dbraw/zinc/77/64/65/644776465.db2.gz GTYWXLNNVZJLKE-MGPQQGTHSA-N 0 1 294.326 2.174 20 5 CEBDMN C[C@@H]1[C@H](CO)CCCN1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000839669140 644778125 /nfs/dbraw/zinc/77/81/25/644778125.db2.gz MKCPGMSUNRDBPE-MNOVXSKESA-N 0 1 282.315 2.327 20 5 CEBDMN C[C@H]1[C@H](CO)CCCN1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000839672378 644779844 /nfs/dbraw/zinc/77/98/44/644779844.db2.gz FVKQADUSYLENOP-JQWIXIFHSA-N 0 1 282.315 2.327 20 5 CEBDMN CSCc1cccc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 ZINC000839674355 644781704 /nfs/dbraw/zinc/78/17/04/644781704.db2.gz NMXHQZUBXMLQTI-GHMZBOCLSA-N 0 1 266.322 2.153 20 5 CEBDMN O=C([C@@H]1CC1[N+](=O)[O-])N(Cc1ccc(F)cc1)CC1CC1 ZINC000839682989 644784231 /nfs/dbraw/zinc/78/42/31/644784231.db2.gz JLSGULYMLYBZJA-ZIAGYGMSSA-N 0 1 292.310 2.230 20 5 CEBDMN O=C(N[C@H]1CC[C@@H](Cc2ccccc2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000839732524 644784626 /nfs/dbraw/zinc/78/46/26/644784626.db2.gz FSHRFOFHMBMQKK-BYNSBNAKSA-N 0 1 288.347 2.179 20 5 CEBDMN Cc1cc(Br)cc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 ZINC000839729731 644794990 /nfs/dbraw/zinc/79/49/90/644794990.db2.gz WPBZBGGSZKQKJI-NXEZZACHSA-N 0 1 299.124 2.361 20 5 CEBDMN C[C@H]1C[C@H](c2ccccc2)N(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839764696 644797400 /nfs/dbraw/zinc/79/74/00/644797400.db2.gz GHINUEMMDUFZCZ-IGHBBLSQSA-N 0 1 274.320 2.261 20 5 CEBDMN CSc1ccccc1[C@@H](C)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839756891 644808781 /nfs/dbraw/zinc/80/87/81/644808781.db2.gz DECBCEPXBZEULX-FBIMIBRVSA-N 0 1 280.349 2.251 20 5 CEBDMN COC(C)(C)CN(C)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000758412640 644927675 /nfs/dbraw/zinc/92/76/75/644927675.db2.gz QYTOQWHKWOTJCD-UHFFFAOYSA-N 0 1 292.339 2.259 20 5 CEBDMN Cc1nn(CN2CC[C@@H](C3CC3)C2)c(C)c1[N+](=O)[O-] ZINC000763333639 645534396 /nfs/dbraw/zinc/53/43/96/645534396.db2.gz QXGDNMGYDWZITP-GFCCVEGCSA-N 0 1 264.329 2.098 20 5 CEBDMN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])[C@H]1CCC[C@H]1c1ccccc1 ZINC000839800170 646139038 /nfs/dbraw/zinc/13/90/38/646139038.db2.gz RWVLDCAMLOGOHY-LJISPDSOSA-N 0 1 288.347 2.446 20 5 CEBDMN Cc1cccc([C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C(C)C)c1 ZINC000863036819 646620557 /nfs/dbraw/zinc/62/05/57/646620557.db2.gz FQIDHPBYDGZTJN-MGPQQGTHSA-N 0 1 276.336 2.474 20 5 CEBDMN O=C(NC12CCC(CC1)C2)c1cc(O)cc([N+](=O)[O-])c1 ZINC000773920166 646786719 /nfs/dbraw/zinc/78/67/19/646786719.db2.gz WAZQYEJFWSMGEF-UHFFFAOYSA-N 0 1 276.292 2.363 20 5 CEBDMN Cc1nn(CN(C)[C@H](C)C(C)(C)C)cc1[N+](=O)[O-] ZINC000779859367 647365660 /nfs/dbraw/zinc/36/56/60/647365660.db2.gz HEJJLIOIWZQPJL-SNVBAGLBSA-N 0 1 254.334 2.424 20 5 CEBDMN CN(C[C@H]1CC=CCC1)Cn1cc([N+](=O)[O-])cn1 ZINC000784007398 647785690 /nfs/dbraw/zinc/78/56/90/647785690.db2.gz DRZSDXPQPWYJDF-NSHDSACASA-N 0 1 250.302 2.037 20 5 CEBDMN C[C@@H](N[C@@H](C)c1ccnn1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000866612900 647842659 /nfs/dbraw/zinc/84/26/59/647842659.db2.gz DFRUSMOCXOSXBG-ZJUUUORDSA-N 0 1 289.339 2.322 20 5 CEBDMN C[C@H]1CCN(Cc2ccc([N+](=O)[O-])c(Cl)c2)[C@@H]1CO ZINC000785984658 647975498 /nfs/dbraw/zinc/97/54/98/647975498.db2.gz RBCNPTPVHFNWGL-TVQRCGJNSA-N 0 1 284.743 2.451 20 5 CEBDMN CC(C)(C)CCNC(=O)[C@](C)(N)c1cccc([N+](=O)[O-])c1 ZINC000867946135 647998059 /nfs/dbraw/zinc/99/80/59/647998059.db2.gz CDSXXFHIOWSWOT-OAHLLOKOSA-N 0 1 293.367 2.321 20 5 CEBDMN Cc1ccc(CNC(=O)[C@@H]2CC2[N+](=O)[O-])c2ccccc12 ZINC000839811741 648147270 /nfs/dbraw/zinc/14/72/70/648147270.db2.gz FEGRHGLDZAHJAZ-HUUCEWRRSA-N 0 1 284.315 2.430 20 5 CEBDMN CCOC(=O)[C@@H](CC)[C@@H](C)OC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000789473936 648307373 /nfs/dbraw/zinc/30/73/73/648307373.db2.gz ZUWRGKGUCGTIDV-BDAKNGLRSA-N 0 1 298.295 2.058 20 5 CEBDMN CN(Cn1cc([N+](=O)[O-])cn1)[C@@H]1CCC(C)(C)C1 ZINC000794685592 648903005 /nfs/dbraw/zinc/90/30/05/648903005.db2.gz MCCHJUZTDIPQGE-SNVBAGLBSA-N 0 1 252.318 2.259 20 5 CEBDMN C[C@H](N[C@@H]1CCC(=O)N(C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872037168 649248994 /nfs/dbraw/zinc/24/89/94/649248994.db2.gz BNGRUHPHOXCJMO-VHSXEESVSA-N 0 1 295.314 2.005 20 5 CEBDMN Cc1ccc([N+](=O)[O-])c(C)c1CNCc1cncn1C ZINC000873126823 649564521 /nfs/dbraw/zinc/56/45/21/649564521.db2.gz DJNMNMJBRSRKEJ-UHFFFAOYSA-N 0 1 274.324 2.235 20 5 CEBDMN CCO[C@@H]1CCC[C@H](OC(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000873602520 649708098 /nfs/dbraw/zinc/70/80/98/649708098.db2.gz ZUCINCLFDVNGHY-ZJUUUORDSA-N 0 1 282.296 2.427 20 5 CEBDMN C[C@H](COCc1ccccc1)COC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000884550547 652910758 /nfs/dbraw/zinc/91/07/58/652910758.db2.gz GFIGWLWUEQDRBO-MRVWCRGKSA-N 0 1 293.319 2.048 20 5 CEBDMN COC[C@@H]1CCCN1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000696569848 805655174 /nfs/dbraw/zinc/65/51/74/805655174.db2.gz AMCPYGDOSXOZON-NSHDSACASA-N 0 1 268.288 2.345 20 5 CEBDMN C[N@H+]1CC[C@@H]1CNc1cc(Cl)ccc1[N+](=O)[O-] ZINC000712527790 814763570 /nfs/dbraw/zinc/76/35/70/814763570.db2.gz GWSXQRATRKPFNK-SECBINFHSA-N 0 1 255.705 2.364 20 5 CEBDMN CN1CC[C@@H]1CNc1cc(Cl)ccc1[N+](=O)[O-] ZINC000712527790 814763574 /nfs/dbraw/zinc/76/35/74/814763574.db2.gz GWSXQRATRKPFNK-SECBINFHSA-N 0 1 255.705 2.364 20 5 CEBDMN O=[N+]([O-])c1ccc(CN2CC[C@@H]3COC[C@@H]3C2)cc1F ZINC000690779912 803480591 /nfs/dbraw/zinc/48/05/91/803480591.db2.gz PEYFDDJNWKTVSX-NEPJUHHUSA-N 0 1 280.299 2.202 20 5 CEBDMN COc1cc(Cl)ccc1COC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840672917 805319526 /nfs/dbraw/zinc/31/95/26/805319526.db2.gz FSJRCHDOWNSALS-NXEZZACHSA-N 0 1 285.683 2.057 20 5 CEBDMN CC[C@H](C(=O)OCc1cccnc1[N+](=O)[O-])N(CC)CC ZINC001119341127 815095576 /nfs/dbraw/zinc/09/55/76/815095576.db2.gz JQNGSTDXJMNPIZ-GFCCVEGCSA-N 0 1 295.339 2.153 20 5 CEBDMN CCN1CC[C@@H]1CNC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000712338252 811198091 /nfs/dbraw/zinc/19/80/91/811198091.db2.gz URBQEPJIURSOIJ-SECBINFHSA-N 0 1 297.742 2.072 20 5 CEBDMN CCN1CC[C@H]1CNC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000712338201 811198565 /nfs/dbraw/zinc/19/85/65/811198565.db2.gz UDQOLFPANMPVFG-JTQLQIEISA-N 0 1 297.742 2.072 20 5 CEBDMN Cc1cnc(CN)n1-c1ccc([N+](=O)[O-])c2cnccc21 ZINC001169027697 811341474 /nfs/dbraw/zinc/34/14/74/811341474.db2.gz CTQAVHSLPVUNDJ-UHFFFAOYSA-N 0 1 283.291 2.096 20 5 CEBDMN COC[C@H]1CCN1[C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170355378 812391472 /nfs/dbraw/zinc/39/14/72/812391472.db2.gz BXERBOBEHWDKCM-WCQYABFASA-N 0 1 294.351 2.255 20 5 CEBDMN CN1CC(CNc2nc(Cl)c(Cl)cc2[N+](=O)[O-])C1 ZINC001159219005 813301843 /nfs/dbraw/zinc/30/18/43/813301843.db2.gz VLYIELCGSVFVMW-UHFFFAOYSA-N 0 1 291.138 2.270 20 5 CEBDMN CC[C@](N)(CO)Nc1ccc([N+](=O)[O-])c2ccccc12 ZINC001170864964 813561333 /nfs/dbraw/zinc/56/13/33/813561333.db2.gz BAAZXHMHRKWYJM-CQSZACIVSA-N 0 1 275.308 2.217 20 5 CEBDMN CCOc1cc(NC[C@H]2CCN2C)ccc1[N+](=O)[O-] ZINC000712549091 814765999 /nfs/dbraw/zinc/76/59/99/814765999.db2.gz RECLLDGPOUQNHC-LLVKDONJSA-N 0 1 265.313 2.110 20 5 CEBDMN CCOc1cc(N2CCN(CC)CC2)ccc1[N+](=O)[O-] ZINC000080761527 344023609 /nfs/dbraw/zinc/02/36/09/344023609.db2.gz TYLYLIXXCXYRSZ-UHFFFAOYSA-N 0 1 279.340 2.135 20 5 CEBDMN O=[N+]([O-])c1cc(F)ccc1NCc1n[nH]c(C2CC2)n1 ZINC000294980660 199282730 /nfs/dbraw/zinc/28/27/30/199282730.db2.gz PCNHDQWZOUOVRI-UHFFFAOYSA-N 0 1 277.259 2.342 20 5 CEBDMN Cc1ccc([C@@H](C)NCC(=O)NC(C)(C)C)cc1[N+](=O)[O-] ZINC000126496103 187243821 /nfs/dbraw/zinc/24/38/21/187243821.db2.gz VYDBSPCPABQNSP-LLVKDONJSA-N 0 1 293.367 2.469 20 5 CEBDMN C[C@H]1CCc2[nH]n(-c3ccc([N+](=O)[O-])cc3)c(=O)c21 ZINC000601935058 346931669 /nfs/dbraw/zinc/93/16/69/346931669.db2.gz OZYZUHSXECWNPG-UFBFGSQYSA-N 0 1 259.265 2.344 20 5 CEBDMN COc1cc([N+](=O)[O-])ccc1-n1[nH]c2c(c1=O)CC[C@H]2C ZINC000601936876 346932953 /nfs/dbraw/zinc/93/29/53/346932953.db2.gz WUNKBZPHVYOIQY-PSASIEDQSA-N 0 1 289.291 2.352 20 5 CEBDMN COc1ccc(CN2CC[C@@H](OC)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000449493505 282257295 /nfs/dbraw/zinc/25/72/95/282257295.db2.gz DZWXRSDMCNWCNS-BXUZGUMPSA-N 0 1 294.351 2.460 20 5 CEBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@@H]1c1ccccc1 ZINC000047271490 343513005 /nfs/dbraw/zinc/51/30/05/343513005.db2.gz ZHBJAYMPHUZYCS-UPJWGTAASA-N 0 1 260.293 2.015 20 5 CEBDMN CN1CCC[C@H](NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000048752120 343532496 /nfs/dbraw/zinc/53/24/96/343532496.db2.gz ZOJQRHYWPOHHGU-JTQLQIEISA-N 0 1 297.742 2.072 20 5 CEBDMN C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N(C)CC1CC1 ZINC000049238172 343536161 /nfs/dbraw/zinc/53/61/61/343536161.db2.gz NBUPOVVDOAIAMR-SNVBAGLBSA-N 0 1 277.324 2.264 20 5 CEBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@@H]1Cc1cccc(F)c1 ZINC000046626114 343501895 /nfs/dbraw/zinc/50/18/95/343501895.db2.gz UPILQWBJLDJXOF-MCIONIFRSA-N 0 1 292.310 2.024 20 5 CEBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@@H]1C1CCCCC1 ZINC000055600655 343606446 /nfs/dbraw/zinc/60/64/46/343606446.db2.gz DLSFTRNEXMWEOH-UPJWGTAASA-N 0 1 266.341 2.223 20 5 CEBDMN Cc1cccc([C@@H]2CCCN2C(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC000056002124 343612540 /nfs/dbraw/zinc/61/25/40/343612540.db2.gz UKGOJRKPCIZXOK-RDBSUJKOSA-N 0 1 274.320 2.324 20 5 CEBDMN CCCc1[nH]nc(C(=O)N2CCCCCC2)c1[N+](=O)[O-] ZINC000068229648 343757829 /nfs/dbraw/zinc/75/78/29/343757829.db2.gz MALKSSNNYWOCON-UHFFFAOYSA-N 0 1 280.328 2.287 20 5 CEBDMN CN(C)[C@H](CNc1ccc([N+](=O)[O-])nc1)c1ccco1 ZINC000072521981 343804712 /nfs/dbraw/zinc/80/47/12/343804712.db2.gz UKZBFAKEHGSATI-LLVKDONJSA-N 0 1 276.296 2.298 20 5 CEBDMN CCC(CC)(CO)NCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000083688690 344078726 /nfs/dbraw/zinc/07/87/26/344078726.db2.gz UHTZMHWLBPGBRS-UHFFFAOYSA-N 0 1 293.323 2.377 20 5 CEBDMN Cc1ccc(CN2CCC([C@@H](C)O)CC2)cc1[N+](=O)[O-] ZINC000092969751 344208314 /nfs/dbraw/zinc/20/83/14/344208314.db2.gz WMSWIVKIPXBCEA-GFCCVEGCSA-N 0 1 278.352 2.496 20 5 CEBDMN COc1cc(CN2CC[C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000092471396 344191126 /nfs/dbraw/zinc/19/11/26/344191126.db2.gz GPXABBYBYQQMPJ-SNVBAGLBSA-N 0 1 280.324 2.454 20 5 CEBDMN C[C@]1(CNCc2nc3cc([N+](=O)[O-])ccc3o2)CCCO1 ZINC000602576484 347085671 /nfs/dbraw/zinc/08/56/71/347085671.db2.gz OEDNMCRABRRDIV-CQSZACIVSA-N 0 1 291.307 2.395 20 5 CEBDMN CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2c1ccc([N+](=O)[O-])nc1 ZINC000590692743 345161925 /nfs/dbraw/zinc/16/19/25/345161925.db2.gz NSKGDMGBDUWFFX-YPMHNXCESA-N 0 1 276.340 2.053 20 5 CEBDMN CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N(C)C ZINC000590872385 345193164 /nfs/dbraw/zinc/19/31/64/345193164.db2.gz LQEAKZHABZFUTG-JTQLQIEISA-N 0 1 294.355 2.304 20 5 CEBDMN O=[N+]([O-])c1cccc(CCc2nc([C@H]3CCCN3)no2)c1 ZINC000592357163 345344529 /nfs/dbraw/zinc/34/45/29/345344529.db2.gz RRYQUWQTPOLMRT-GFCCVEGCSA-N 0 1 288.307 2.188 20 5 CEBDMN COc1ccc([N+](=O)[O-])c(-c2nc([C@H]3CCCN3)no2)c1 ZINC000592357381 345344710 /nfs/dbraw/zinc/34/47/10/345344710.db2.gz ZGDDXWNQMIQMEL-SNVBAGLBSA-N 0 1 290.279 2.078 20 5 CEBDMN CC(C)O[C@@H]1CC[N@H+](Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000592132929 345327388 /nfs/dbraw/zinc/32/73/88/345327388.db2.gz BYKIZHZDJIICAX-CYBMUJFWSA-N 0 1 280.324 2.300 20 5 CEBDMN CC(C)O[C@@H]1CC[N@@H+](Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000592132929 345327390 /nfs/dbraw/zinc/32/73/90/345327390.db2.gz BYKIZHZDJIICAX-CYBMUJFWSA-N 0 1 280.324 2.300 20 5 CEBDMN Cc1cc([N+](=O)[O-])ccc1C[N@H+](CC(=O)[O-])CC1CC1 ZINC000593331934 345467533 /nfs/dbraw/zinc/46/75/33/345467533.db2.gz JEUSHQCARFMQGA-UHFFFAOYSA-N 0 1 278.308 2.200 20 5 CEBDMN O=[N+]([O-])c1ccsc1NCc1n[nH]c([C@@H]2CCCO2)n1 ZINC000594589781 345652734 /nfs/dbraw/zinc/65/27/34/345652734.db2.gz OKCOPJHCMJYPLK-QMMMGPOBSA-N 0 1 295.324 2.238 20 5 CEBDMN O=[N+]([O-])c1ccc(CN[C@H]2C[C@H](O)C23CCC3)c(F)c1 ZINC000594988012 345722765 /nfs/dbraw/zinc/72/27/65/345722765.db2.gz NOSUUQOSTKUYOL-STQMWFEESA-N 0 1 280.299 2.127 20 5 CEBDMN CO[C@]1(C)CCCN(Cc2onc(C)c2[N+](=O)[O-])CC1 ZINC000595464681 345789731 /nfs/dbraw/zinc/78/97/31/345789731.db2.gz LFCNMIIDESUMHL-CYBMUJFWSA-N 0 1 283.328 2.282 20 5 CEBDMN C[C@@H](N(C)Cc1ccc(F)cc1[N+](=O)[O-])C(C)(C)O ZINC000595509176 345799464 /nfs/dbraw/zinc/79/94/64/345799464.db2.gz DAWNIRZFVOOYJB-SECBINFHSA-N 0 1 270.304 2.325 20 5 CEBDMN CC[C@H]1[C@H](CO)CCN1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595529666 345804325 /nfs/dbraw/zinc/80/43/25/345804325.db2.gz QZHSUNSDKFFTAH-AAEUAGOBSA-N 0 1 282.315 2.327 20 5 CEBDMN O=[N+]([O-])c1ccccc1CN(C1CC1)C1(CO)CCC1 ZINC000595533866 345804765 /nfs/dbraw/zinc/80/47/65/345804765.db2.gz PDOKJSFTADAVFT-UHFFFAOYSA-N 0 1 276.336 2.474 20 5 CEBDMN O=[N+]([O-])c1cccc(F)c1CN1CC[C@@H]2COC[C@H]2C1 ZINC000595835830 345892235 /nfs/dbraw/zinc/89/22/35/345892235.db2.gz WALHWFJNNUHCHI-GHMZBOCLSA-N 0 1 280.299 2.202 20 5 CEBDMN CCOc1ccc([N+](=O)[O-])cc1CNCCOCCF ZINC000596057882 345929623 /nfs/dbraw/zinc/92/96/23/345929623.db2.gz XPHHLLQGJLTXOA-UHFFFAOYSA-N 0 1 286.303 2.069 20 5 CEBDMN COc1ccc([N+](=O)[O-])cc1CN1C[C@@H](C)[C@](C)(CO)C1 ZINC000595873714 345904016 /nfs/dbraw/zinc/90/40/16/345904016.db2.gz MTBFTSSCDMXWPJ-ABAIWWIYSA-N 0 1 294.351 2.054 20 5 CEBDMN CC[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])[C@H](C)C(=O)[O-] ZINC000595883598 345905233 /nfs/dbraw/zinc/90/52/33/345905233.db2.gz ZNOTUYJBZCUKIU-MRVPVSSYSA-N 0 1 270.260 2.029 20 5 CEBDMN Cc1noc(CSc2nc(C3CC3)n[nH]2)c1[N+](=O)[O-] ZINC000596015689 345923611 /nfs/dbraw/zinc/92/36/11/345923611.db2.gz GMYNCRKVKJKEBX-UHFFFAOYSA-N 0 1 281.297 2.179 20 5 CEBDMN Cc1noc(CSc2n[nH]c(C3CC3)n2)c1[N+](=O)[O-] ZINC000596015689 345923614 /nfs/dbraw/zinc/92/36/14/345923614.db2.gz GMYNCRKVKJKEBX-UHFFFAOYSA-N 0 1 281.297 2.179 20 5 CEBDMN CO[C@@]1(C)C[C@H]1Nc1cc(C)nc2ccc([N+](=O)[O-])cc21 ZINC000596538763 346049391 /nfs/dbraw/zinc/04/93/91/346049391.db2.gz GAKBUHPELLQHKW-CABCVRRESA-N 0 1 287.319 2.463 20 5 CEBDMN COc1ccc([N+](=O)[O-])cc1CN1CC[C@@H](C)[C@@H](CO)C1 ZINC000598646605 346392078 /nfs/dbraw/zinc/39/20/78/346392078.db2.gz URLPRJJDTFIPHW-DGCLKSJQSA-N 0 1 294.351 2.054 20 5 CEBDMN C[C@@H]1CN(Cc2cn(C)nc2[N+](=O)[O-])CC(C)(C)C1 ZINC000602609004 347100094 /nfs/dbraw/zinc/10/00/94/347100094.db2.gz OZMVDQCLODOFJU-JTQLQIEISA-N 0 1 266.345 2.196 20 5 CEBDMN Cc1cc([N+](=O)[O-])ccc1CN[C@@H](C)[C@H](O)C(F)(F)F ZINC000601153464 346771256 /nfs/dbraw/zinc/77/12/56/346771256.db2.gz OIVLIIFWXIYLFW-KWQFWETISA-N 0 1 292.257 2.305 20 5 CEBDMN CCOC[C@H](C)NCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602622299 347107800 /nfs/dbraw/zinc/10/78/00/347107800.db2.gz LBLUFZIEBNPEJZ-VIFPVBQESA-N 0 1 279.296 2.251 20 5 CEBDMN Cn1cc(CN2CCC[C@@H]3CCCC[C@@H]32)c([N+](=O)[O-])n1 ZINC000602901303 347241974 /nfs/dbraw/zinc/24/19/74/347241974.db2.gz GZRHSIQIDHTVAA-AAEUAGOBSA-N 0 1 278.356 2.483 20 5 CEBDMN CN[C@@H](C)c1cn([C@H](C)c2cc([N+](=O)[O-])ccc2C)nn1 ZINC000603249319 347321486 /nfs/dbraw/zinc/32/14/86/347321486.db2.gz GQOAILACKKIEDE-WDEREUQCSA-N 0 1 289.339 2.384 20 5 CEBDMN CCc1[nH]ncc1C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000604032891 347401971 /nfs/dbraw/zinc/40/19/71/347401971.db2.gz GDLLTCZYABTSIR-UHFFFAOYSA-N 0 1 274.280 2.441 20 5 CEBDMN CCc1ccc(C(=O)NCc2cc(C)[nH]n2)cc1[N+](=O)[O-] ZINC000610437108 347682221 /nfs/dbraw/zinc/68/22/21/347682221.db2.gz ZEFLBPPCSWMQKR-UHFFFAOYSA-N 0 1 288.307 2.119 20 5 CEBDMN Cc1[nH]nc(C(=O)N2C3CCCC2CCC3)c1[N+](=O)[O-] ZINC000610243539 347666241 /nfs/dbraw/zinc/66/62/41/347666241.db2.gz JKIVOOSOIJCSPJ-UHFFFAOYSA-N 0 1 278.312 2.174 20 5 CEBDMN C[C@H]1CN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@@H]1C ZINC000611272303 347762058 /nfs/dbraw/zinc/76/20/58/347762058.db2.gz ZYPSVSCAECOPBI-QWRGUYRKSA-N 0 1 292.335 2.454 20 5 CEBDMN COCC1(N(C)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000611178656 347748248 /nfs/dbraw/zinc/74/82/48/347748248.db2.gz IEDCEBGSXCNLEQ-UHFFFAOYSA-N 0 1 250.298 2.206 20 5 CEBDMN C[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2F)C[C@H](C)N1C ZINC000336893483 365937724 /nfs/dbraw/zinc/93/77/24/365937724.db2.gz UQNOBVADRPXSGP-QWRGUYRKSA-N 0 1 281.331 2.258 20 5 CEBDMN O=[N+]([O-])c1ccccc1/C=C\CN1C[C@H](O)C2(CC2)C1 ZINC000614656482 348225656 /nfs/dbraw/zinc/22/56/56/348225656.db2.gz CZGPROTXHPPWFS-MFBWXBCUSA-N 0 1 274.320 2.065 20 5 CEBDMN C[C@@H]1CN(Cc2csc([N+](=O)[O-])c2)C[C@@H](C)N1C ZINC000339624170 215272294 /nfs/dbraw/zinc/27/22/94/215272294.db2.gz XFFVIRAYEKQQDN-NXEZZACHSA-N 0 1 269.370 2.181 20 5 CEBDMN COc1cc([N+](=O)[O-])ccc1CN1CCC[C@H](CO)[C@@H]1C ZINC000412095725 233337650 /nfs/dbraw/zinc/33/76/50/233337650.db2.gz TYHRPOSGXRYLRP-WCQYABFASA-N 0 1 294.351 2.196 20 5 CEBDMN CCC[C@H](C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)N(C)C ZINC000352183328 219348101 /nfs/dbraw/zinc/34/81/01/219348101.db2.gz CESUDDADYAMSST-GFCCVEGCSA-N 0 1 283.303 2.403 20 5 CEBDMN COc1cc([N+](=O)[O-])ccc1CN1CCC[C@@H](CO)CC1 ZINC000339751027 215326252 /nfs/dbraw/zinc/32/62/52/215326252.db2.gz DWDKECXVVPOBKN-GFCCVEGCSA-N 0 1 294.351 2.198 20 5 CEBDMN C[C@@H]1CC[C@H](C)N1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000123243412 187080537 /nfs/dbraw/zinc/08/05/37/187080537.db2.gz PGPHMGWGCAOAMX-TXEJJXNPSA-N 0 1 291.351 2.430 20 5 CEBDMN O=C(CN1C[C@@H]2CCC[C@@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000152886055 188050804 /nfs/dbraw/zinc/05/08/04/188050804.db2.gz NFBJUHWUXVLBRO-TXEJJXNPSA-N 0 1 289.335 2.265 20 5 CEBDMN Cc1sc(C(=O)N(C)[C@H]2CCCN(C)C2)cc1[N+](=O)[O-] ZINC000153649927 188095324 /nfs/dbraw/zinc/09/53/24/188095324.db2.gz BAQOWDYZMRUVNH-JTQLQIEISA-N 0 1 297.380 2.131 20 5 CEBDMN CC1(C)[C@H](NCc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1O ZINC000133539359 366234329 /nfs/dbraw/zinc/23/43/29/366234329.db2.gz IZWWGEBWNIBCSO-NEPJUHHUSA-N 0 1 284.743 2.497 20 5 CEBDMN C[C@H]1CCCN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000173167401 188843951 /nfs/dbraw/zinc/84/39/51/188843951.db2.gz OZHNGHDOXJLBKK-QMMMGPOBSA-N 0 1 274.280 2.096 20 5 CEBDMN C[C@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)C(C)(F)F ZINC000452461900 283294546 /nfs/dbraw/zinc/29/45/46/283294546.db2.gz VVZABQRTTRTDQK-LURJTMIESA-N 0 1 274.223 2.074 20 5 CEBDMN CCC(CC)(CNC(=O)c1cc(O)cc([N+](=O)[O-])c1)OC ZINC000294639360 199118310 /nfs/dbraw/zinc/11/83/10/199118310.db2.gz MAKGRVRYGRKHSU-UHFFFAOYSA-N 0 1 296.323 2.235 20 5 CEBDMN CN(Cc1ccccc1[N+](=O)[O-])CC(C)(C)CO ZINC000294905778 199241560 /nfs/dbraw/zinc/24/15/60/199241560.db2.gz XPFDIGPFERGYHZ-UHFFFAOYSA-N 0 1 252.314 2.045 20 5 CEBDMN CC(=O)c1ccc(O)c(NC(=O)CCC(C)(C)[N+](=O)[O-])c1 ZINC000294931253 199256247 /nfs/dbraw/zinc/25/62/47/199256247.db2.gz JAMKGZAFSGYDBD-UHFFFAOYSA-N 0 1 294.307 2.369 20 5 CEBDMN COC(=O)C[C@H]1CCCN1Cc1cccc([N+](=O)[O-])c1 ZINC000179143679 189172774 /nfs/dbraw/zinc/17/27/74/189172774.db2.gz OZFZYZLEFGPRJX-GFCCVEGCSA-N 0 1 278.308 2.122 20 5 CEBDMN CC[N@H+]1CCC[C@@H]1CNc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000019845196 361561633 /nfs/dbraw/zinc/56/16/33/361561633.db2.gz XLRFYXSYQFVLIU-LLVKDONJSA-N 0 1 293.323 2.189 20 5 CEBDMN C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](C(=O)[O-])C1 ZINC000086728884 363839305 /nfs/dbraw/zinc/83/93/05/363839305.db2.gz AMXAEIWHDQEUKW-QWRGUYRKSA-N 0 1 278.308 2.452 20 5 CEBDMN Cc1[nH]nc(C(=O)N2C[C@H](C)C[C@@H](C)[C@H]2C)c1[N+](=O)[O-] ZINC000356674713 370792242 /nfs/dbraw/zinc/79/22/42/370792242.db2.gz XXPORKKVWOUMDE-NQMVMOMDSA-N 0 1 280.328 2.133 20 5 CEBDMN O=C([C@H]1CC1[N+](=O)[O-])N1CCCn2c(cc3ccccc32)C1 ZINC000377146616 296148497 /nfs/dbraw/zinc/14/84/97/296148497.db2.gz MOPXUUCINFEWMN-DZGCQCFKSA-N 0 1 299.330 2.039 20 5 CEBDMN O=[N+]([O-])c1ccc(CN(CCO)CC2CC2)c(Cl)c1 ZINC000352466400 369744143 /nfs/dbraw/zinc/74/41/43/369744143.db2.gz COGPUDHPJLMFHM-UHFFFAOYSA-N 0 1 284.743 2.453 20 5 CEBDMN C[C@@H]1C[C@H](Nc2ncc([N+](=O)[O-])s2)CN1C1CC1 ZINC000192482752 369819456 /nfs/dbraw/zinc/81/94/56/369819456.db2.gz MWLIIMDQDFEZKQ-SFYZADRCSA-N 0 1 268.342 2.088 20 5 CEBDMN Cc1cc([N+](=O)[O-])ccc1CNCC1(C)OCCCO1 ZINC000192250966 369787140 /nfs/dbraw/zinc/78/71/40/369787140.db2.gz CEEXPQVDUKJBHE-UHFFFAOYSA-N 0 1 280.324 2.146 20 5 CEBDMN C[C@@H]1CCCCN1CCNc1ncc([N+](=O)[O-])s1 ZINC000195508940 370135762 /nfs/dbraw/zinc/13/57/62/370135762.db2.gz VXBYWUKAYVNNSN-SECBINFHSA-N 0 1 270.358 2.338 20 5 CEBDMN C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](C(=O)[O-])[C@@H]1C ZINC000221545145 370241757 /nfs/dbraw/zinc/24/17/57/370241757.db2.gz RGRFDOIHYWSSOG-GBIKHYSHSA-N 0 1 278.308 2.451 20 5 CEBDMN Cc1nc([C@@H](C)Nc2nc3ccccc3cc2[N+](=O)[O-])n[nH]1 ZINC000343915530 216976016 /nfs/dbraw/zinc/97/60/16/216976016.db2.gz GXNIFEIQSSZTPC-MRVPVSSYSA-N 0 1 298.306 2.165 20 5 CEBDMN Cc1ccc2nc(CNc3ncc([N+](=O)[O-])cn3)[nH]c2c1 ZINC000354597162 370427831 /nfs/dbraw/zinc/42/78/31/370427831.db2.gz GXNRDNAPNPKTDW-UHFFFAOYSA-N 0 1 284.279 2.182 20 5 CEBDMN O=[N+]([O-])c1ccc(F)cc1CN[C@@H]1CCO[C@@H]1C1CC1 ZINC000236155700 370584148 /nfs/dbraw/zinc/58/41/48/370584148.db2.gz GIWOZPWGYBOKII-TZMCWYRMSA-N 0 1 280.299 2.391 20 5 CEBDMN CCOC(=O)[C@@H](C)[C@@H](C)NCc1c(F)cccc1[N+](=O)[O-] ZINC000358836715 371241937 /nfs/dbraw/zinc/24/19/37/371241937.db2.gz ZGMNSQCXAMHMPS-VHSXEESVSA-N 0 1 298.314 2.411 20 5 CEBDMN O=[N+]([O-])c1cc(Cl)ccc1CN1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000252884449 371486734 /nfs/dbraw/zinc/48/67/34/371486734.db2.gz WNGPWWGDDZTOTD-WFBYXXMGSA-N 0 1 296.754 2.451 20 5 CEBDMN Cc1sc(-c2nc(C3(N)CCC3)no2)cc1[N+](=O)[O-] ZINC000261888101 371762798 /nfs/dbraw/zinc/76/27/98/371762798.db2.gz XDAPBDAEFGVOHJ-UHFFFAOYSA-N 0 1 280.309 2.353 20 5 CEBDMN COCCN1CCN(c2ccc([N+](=O)[O-])c(C)c2)C[C@H]1C ZINC000266405827 372046424 /nfs/dbraw/zinc/04/64/24/372046424.db2.gz QBOQGLIOTQLSKP-CYBMUJFWSA-N 0 1 293.367 2.060 20 5 CEBDMN CC(C)COCCCNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000269146811 372356796 /nfs/dbraw/zinc/35/67/96/372356796.db2.gz PUNPOQKUYZIUSD-UHFFFAOYSA-N 0 1 296.323 2.093 20 5 CEBDMN Cc1[nH]nc(C(=O)N2CC[C@H](C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000269856634 372579538 /nfs/dbraw/zinc/57/95/38/372579538.db2.gz YWUNHKSALXUTJX-IUCAKERBSA-N 0 1 280.328 2.135 20 5 CEBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@@H]1c1cccc(F)c1 ZINC000363022033 372615954 /nfs/dbraw/zinc/61/59/54/372615954.db2.gz IXZLLTFLPZBDJZ-JHJVBQTASA-N 0 1 278.283 2.154 20 5 CEBDMN CC[C@@H]1CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000272643659 373597707 /nfs/dbraw/zinc/59/77/07/373597707.db2.gz FBGAVNVVHOPANY-SECBINFHSA-N 0 1 264.281 2.173 20 5 CEBDMN O=C(CN1CC[C@H](C2CC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000371307827 373836188 /nfs/dbraw/zinc/83/61/88/373836188.db2.gz IOPMRTAPOXZFFX-LBPRGKRZSA-N 0 1 289.335 2.265 20 5 CEBDMN CCOc1cc(CN2CCC[C@H](CO)C2)ccc1[N+](=O)[O-] ZINC000276931295 374349668 /nfs/dbraw/zinc/34/96/68/374349668.db2.gz QXSGBJWEGIEKNM-ZDUSSCGKSA-N 0 1 294.351 2.198 20 5 CEBDMN O=C(N[C@H]1C[C@H](c2cccc(Cl)c2)C1)[C@H]1CC1[N+](=O)[O-] ZINC000373876556 374438659 /nfs/dbraw/zinc/43/86/59/374438659.db2.gz QGTQKEPWROZIDB-BQUFFADESA-N 0 1 294.738 2.367 20 5 CEBDMN C[C@@H]1C[C@H](c2ccccc2)N(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000376196391 374699210 /nfs/dbraw/zinc/69/92/10/374699210.db2.gz GHINUEMMDUFZCZ-ZRJCITRHSA-N 0 1 274.320 2.261 20 5 CEBDMN O=C(N[C@@H](c1ccco1)c1ccccc1)[C@H]1CC1[N+](=O)[O-] ZINC000377426174 374854191 /nfs/dbraw/zinc/85/41/91/374854191.db2.gz MRKNAHGTSKSQQS-OUCADQQQSA-N 0 1 286.287 2.150 20 5 CEBDMN CCOc1cc(CN2C[C@H](O)C(C)(C)C2)ccc1[N+](=O)[O-] ZINC000279973310 375050148 /nfs/dbraw/zinc/05/01/48/375050148.db2.gz ZBKQZAGFKXBACC-AWEZNQCLSA-N 0 1 294.351 2.196 20 5 CEBDMN C[C@]1(O)CCCN(Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000280028407 375066956 /nfs/dbraw/zinc/06/69/56/375066956.db2.gz KUVMYRICSKAVTQ-AWEZNQCLSA-N 0 1 282.315 2.471 20 5 CEBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CC[C@@H]2CCC[C@@H]21 ZINC000408374658 375463773 /nfs/dbraw/zinc/46/37/73/375463773.db2.gz IODJSDQSGIMHJL-ZANVPECISA-N 0 1 276.292 2.315 20 5 CEBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC2(CCC2)C1 ZINC000408161399 375420170 /nfs/dbraw/zinc/42/01/70/375420170.db2.gz MVNZKCFJMFEYFJ-UHFFFAOYSA-N 0 1 276.292 2.317 20 5 CEBDMN Cc1ccc(NC(=O)N2CCNC(C)(C)C2)cc1[N+](=O)[O-] ZINC000414656690 375904166 /nfs/dbraw/zinc/90/41/66/375904166.db2.gz IZTLKLFLANXIGU-UHFFFAOYSA-N 0 1 292.339 2.119 20 5 CEBDMN Cc1[nH]nc(C(=O)N(CC(C)C)C(C)C)c1[N+](=O)[O-] ZINC000264245632 190098983 /nfs/dbraw/zinc/09/89/83/190098983.db2.gz ZIJXIQPSYLDMRJ-UHFFFAOYSA-N 0 1 268.317 2.133 20 5 CEBDMN C[NH+](C)Cc1ccccc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000560004346 376704632 /nfs/dbraw/zinc/70/46/32/376704632.db2.gz SSEUBQAZRMOXPN-UHFFFAOYSA-N 0 1 288.307 2.237 20 5 CEBDMN CCN1CCCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])s1 ZINC000264688530 190129442 /nfs/dbraw/zinc/12/94/42/190129442.db2.gz MBFASDPPHOUKJJ-JTQLQIEISA-N 0 1 297.380 2.261 20 5 CEBDMN COc1ccc(CN[C@H](C)c2ccnn2C)cc1[N+](=O)[O-] ZINC000278150380 193844989 /nfs/dbraw/zinc/84/49/89/193844989.db2.gz ACKIYZWQTGLMNM-SNVBAGLBSA-N 0 1 290.323 2.188 20 5 CEBDMN Cc1nc(CN(Cc2ccc([N+](=O)[O-])cc2)C2CC2)n[nH]1 ZINC000293204067 377469289 /nfs/dbraw/zinc/46/92/89/377469289.db2.gz PBRWGLCLZUBXTR-UHFFFAOYSA-N 0 1 287.323 2.186 20 5 CEBDMN CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[C@@H](CO)C1 ZINC000265807128 190208886 /nfs/dbraw/zinc/20/88/86/190208886.db2.gz IXNQRQZUQVCNRM-GFCCVEGCSA-N 0 1 294.351 2.196 20 5 CEBDMN COCC[C@]1(NCc2ccc([N+](=O)[O-])cc2F)CCOC1 ZINC000447064376 378089379 /nfs/dbraw/zinc/08/93/79/378089379.db2.gz WQPZLKUYKPOBIX-AWEZNQCLSA-N 0 1 298.314 2.019 20 5 CEBDMN O=[N+]([O-])c1cccc(F)c1NCCN1C[C@H]2CC[C@@H](C1)O2 ZINC000450793117 378583493 /nfs/dbraw/zinc/58/34/93/378583493.db2.gz PJHQXHVSXYEVPY-PHIMTYICSA-N 0 1 295.314 2.009 20 5 CEBDMN CCO[C@@H]1COC[C@H]1N[C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000453365331 378874443 /nfs/dbraw/zinc/87/44/43/378874443.db2.gz RNXXVOMLYSBIBV-NJZAAPMLSA-N 0 1 294.351 2.358 20 5 CEBDMN CCn1cc(CCN(C)Cc2ccccc2[N+](=O)[O-])cn1 ZINC000278598072 194061524 /nfs/dbraw/zinc/06/15/24/194061524.db2.gz LPZAZVOYJMBSFY-UHFFFAOYSA-N 0 1 288.351 2.486 20 5 CEBDMN Cc1[nH]nc(C(=O)N(C)[C@H]2CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC000299536713 379035073 /nfs/dbraw/zinc/03/50/73/379035073.db2.gz NHFNJZYGUUUXGU-WPRPVWTQSA-N 0 1 280.328 2.277 20 5 CEBDMN COCCN(Cc1ccc([N+](=O)[O-])cc1)[C@H]1CCO[C@@H]1C ZINC000489393984 380183842 /nfs/dbraw/zinc/18/38/42/380183842.db2.gz CXZYDIDSBYVHRV-DOMZBBRYSA-N 0 1 294.351 2.221 20 5 CEBDMN O=[N+]([O-])c1ccc(CCN2CC[C@H](OC(F)F)C2)cc1 ZINC000549408993 380599739 /nfs/dbraw/zinc/59/97/39/380599739.db2.gz RKRHFBZGTULFJU-LBPRGKRZSA-N 0 1 286.278 2.451 20 5 CEBDMN CC(C)c1ccc(CNCC(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000348833927 218751736 /nfs/dbraw/zinc/75/17/36/218751736.db2.gz NLPHHDAJNFWIOY-UHFFFAOYSA-N 0 1 291.351 2.086 20 5 CEBDMN C[N@@H+](CCc1ccncc1)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000350396993 219014741 /nfs/dbraw/zinc/01/47/41/219014741.db2.gz YFXRPSCSHYLUCC-UHFFFAOYSA-N 0 1 287.319 2.370 20 5 CEBDMN CO[C@@H]1CCN(C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000353861271 220373295 /nfs/dbraw/zinc/37/32/95/220373295.db2.gz ANSWWGOLZWWLCE-DIECRNLCSA-N 0 1 262.309 2.329 20 5 CEBDMN COc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H](CO)[C@@H]1C ZINC000412089614 533219850 /nfs/dbraw/zinc/21/98/50/533219850.db2.gz TULQPDAVYFMSQK-RYUDHWBXSA-N 0 1 294.351 2.196 20 5 CEBDMN CCN(CC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000052560849 394557735 /nfs/dbraw/zinc/55/77/35/394557735.db2.gz XXXCJHTXRVDSSW-NSHDSACASA-N 0 1 291.351 2.256 20 5 CEBDMN CC(C)N1CCN(c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000048805632 394531602 /nfs/dbraw/zinc/53/16/02/394531602.db2.gz FPKJHEFJGKQZRV-UHFFFAOYSA-N 0 1 267.304 2.264 20 5 CEBDMN Cc1cc(N2CCN(C3CC3)CC2)ccc1[N+](=O)[O-] ZINC000049390354 394546083 /nfs/dbraw/zinc/54/60/83/394546083.db2.gz INEZZKRFRIJIBW-UHFFFAOYSA-N 0 1 261.325 2.188 20 5 CEBDMN CC(C)[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2)CCN1C ZINC000331129393 394627884 /nfs/dbraw/zinc/62/78/84/394627884.db2.gz IVCMFJDNCVODCN-AWEZNQCLSA-N 0 1 291.351 2.007 20 5 CEBDMN O=C(N[C@H]1C[C@H](c2cccc(Cl)c2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000373876557 395067557 /nfs/dbraw/zinc/06/75/57/395067557.db2.gz QGTQKEPWROZIDB-JHEVNIALSA-N 0 1 294.738 2.367 20 5 CEBDMN C[C@@H]1OCC[C@]1(C)NCc1c(F)cccc1[N+](=O)[O-] ZINC000494238306 395102072 /nfs/dbraw/zinc/10/20/72/395102072.db2.gz PXVZHEGYQGGQCV-ZANVPECISA-N 0 1 268.288 2.391 20 5 CEBDMN CC(C)[C@H](CC(F)(F)F)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000438618081 395227761 /nfs/dbraw/zinc/22/77/61/395227761.db2.gz IRMMMKQNQJGKMD-LURJTMIESA-N 0 1 294.233 2.025 20 5 CEBDMN COCCCCN(C)Cc1cc([N+](=O)[O-])ccc1OC ZINC000419393125 395270255 /nfs/dbraw/zinc/27/02/55/395270255.db2.gz PKOVHNAZGUBFBD-UHFFFAOYSA-N 0 1 282.340 2.462 20 5 CEBDMN CN(Cc1ccccc1[N+](=O)[O-])CC1(C)COC1 ZINC000441238672 395382038 /nfs/dbraw/zinc/38/20/38/395382038.db2.gz ZGEYEPDNXSECFT-UHFFFAOYSA-N 0 1 250.298 2.063 20 5 CEBDMN C[C@H]1CCCC[C@@]1(C)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000457235061 395635671 /nfs/dbraw/zinc/63/56/71/395635671.db2.gz BCSCUHMSRACWHR-QPUJVOFHSA-N 0 1 266.301 2.017 20 5 CEBDMN C[C@@H]1C[C@H](c2ccccc2)[C@H](C)N1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000360538190 155321261 /nfs/dbraw/zinc/32/12/61/155321261.db2.gz JBHZUYHWNJFNKU-WKZARQIDSA-N 0 1 288.347 2.445 20 5 CEBDMN Cc1cccc(NCCN2CCSCC2)c1[N+](=O)[O-] ZINC000218853708 153303730 /nfs/dbraw/zinc/30/37/30/153303730.db2.gz OWYXTRXEWROASB-UHFFFAOYSA-N 0 1 281.381 2.364 20 5 CEBDMN O=[N+]([O-])c1cc(CN[C@@H]2CCO[C@H]2C2CC2)cs1 ZINC000230315208 153391431 /nfs/dbraw/zinc/39/14/31/153391431.db2.gz DAMMEGNQQKNVSK-PWSUYJOCSA-N 0 1 268.338 2.313 20 5 CEBDMN C[C@H](Nc1c2ccccc2ncc1[N+](=O)[O-])c1nnc[nH]1 ZINC000230432772 153395869 /nfs/dbraw/zinc/39/58/69/153395869.db2.gz JRUSFXHIZTZNJB-QMMMGPOBSA-N 0 1 284.279 2.434 20 5 CEBDMN C[C@H]1CN(CCOc2ccccc2[N+](=O)[O-])CCCO1 ZINC000170764818 165040021 /nfs/dbraw/zinc/04/00/21/165040021.db2.gz SJRSHZQMBSDHGM-LBPRGKRZSA-N 0 1 280.324 2.084 20 5 CEBDMN COCCOCCN(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000177998952 165218195 /nfs/dbraw/zinc/21/81/95/165218195.db2.gz ZZWFMWQFCCHAJY-UHFFFAOYSA-N 0 1 294.351 2.222 20 5 CEBDMN CC[C@H](CO)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000035368226 172159405 /nfs/dbraw/zinc/15/94/05/172159405.db2.gz KNYORMLVSMVWLK-SECBINFHSA-N 0 1 258.705 2.109 20 5 CEBDMN CO[C@H]1C[C@@H](N(C)Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000285498127 196304980 /nfs/dbraw/zinc/30/49/80/196304980.db2.gz XHLMWFSKCITZMG-PHIMTYICSA-N 0 1 268.288 2.343 20 5 CEBDMN CN(Cc1nc2cc([N+](=O)[O-])ccc2o1)[C@@H]1CCC[C@H]1O ZINC000285631379 196350644 /nfs/dbraw/zinc/35/06/44/196350644.db2.gz AFWZWJKPHHVVKI-VXGBXAGGSA-N 0 1 291.307 2.081 20 5 CEBDMN CCC[N@@H+](CC(=O)[O-])Cc1cc(F)ccc1[N+](=O)[O-] ZINC000038021869 174002122 /nfs/dbraw/zinc/00/21/22/174002122.db2.gz NKXHFICBTBSWEM-UHFFFAOYSA-N 0 1 270.260 2.031 20 5 CEBDMN COCC[C@H](C)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000566574682 299005582 /nfs/dbraw/zinc/00/55/82/299005582.db2.gz IIDIMGLKAUVQJA-NSHDSACASA-N 0 1 264.325 2.378 20 5 CEBDMN C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@@H](C)c1ncnn1C ZINC000449276835 260344876 /nfs/dbraw/zinc/34/48/76/260344876.db2.gz DBBDOQHFBACCGN-MNOVXSKESA-N 0 1 289.339 2.005 20 5 CEBDMN CCc1[nH]nc(C(=O)N2C[C@@H](C)CC[C@@H]2C)c1[N+](=O)[O-] ZINC000192664422 262207864 /nfs/dbraw/zinc/20/78/64/262207864.db2.gz HIOUHRNRRDNZBA-IUCAKERBSA-N 0 1 280.328 2.141 20 5 CEBDMN C[C@H](Nc1c(F)cc([N+](=O)[O-])cc1F)c1nnc[nH]1 ZINC000226500358 263059555 /nfs/dbraw/zinc/05/95/55/263059555.db2.gz AVWDLKFKOFCLLZ-YFKPBYRVSA-N 0 1 269.211 2.164 20 5 CEBDMN C[C@H]1CC[C@@H](C(=O)[O-])C[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000397479667 270354539 /nfs/dbraw/zinc/35/45/39/270354539.db2.gz CXMTYOLXWHTSTM-CMPLNLGQSA-N 0 1 278.308 2.280 20 5 CEBDMN COc1ccc([N+](=O)[O-])cc1CN1C[C@@H](C)C[C@H](CO)C1 ZINC000398698606 270361207 /nfs/dbraw/zinc/36/12/07/270361207.db2.gz SCIDZTXFAKEYNW-RYUDHWBXSA-N 0 1 294.351 2.054 20 5 CEBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCc2n[nH]nc2C1 ZINC000429303507 271322318 /nfs/dbraw/zinc/32/23/18/271322318.db2.gz WMDNMPDNNLJYQQ-JTQLQIEISA-N 0 1 287.323 2.141 20 5 CEBDMN COc1cc([N+](=O)[O-])ccc1CN(C[C@H](C)O)C(C)C ZINC000430215715 271363552 /nfs/dbraw/zinc/36/35/52/271363552.db2.gz CPXRGFOTDBBBNR-NSHDSACASA-N 0 1 282.340 2.195 20 5 CEBDMN COc1cc([N+](=O)[O-])ccc1CN1CCC[C@@H](C)[C@H]1CO ZINC000430225558 271364817 /nfs/dbraw/zinc/36/48/17/271364817.db2.gz YJLSMLQFZQWQAY-BXUZGUMPSA-N 0 1 294.351 2.196 20 5 CEBDMN C[C@@H](O)CN(C)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000293713729 274265631 /nfs/dbraw/zinc/26/56/31/274265631.db2.gz XXWHPWURHODUEH-MRVPVSSYSA-N 0 1 292.257 2.426 20 5 CEBDMN C[C@H]1CN(Cc2c(F)cccc2[N+](=O)[O-])C[C@H](C)N1C ZINC000339619724 274586753 /nfs/dbraw/zinc/58/67/53/274586753.db2.gz XNPRMPBWXRAPPN-QWRGUYRKSA-N 0 1 281.331 2.258 20 5 CEBDMN CCOCCCN1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000357602482 276314922 /nfs/dbraw/zinc/31/49/22/276314922.db2.gz FQRDESPKTYANKO-UHFFFAOYSA-N 0 1 293.367 2.143 20 5 CEBDMN CN1CCCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000020479122 277049892 /nfs/dbraw/zinc/04/98/92/277049892.db2.gz XAFPNFNBUCTMPB-UHFFFAOYSA-N 0 1 297.742 2.026 20 5 CEBDMN CC(C)c1[nH]nc(C(=O)N2C[C@H](C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000408399897 278001344 /nfs/dbraw/zinc/00/13/44/278001344.db2.gz MDFCCRVOZZWRTC-BDAKNGLRSA-N 0 1 280.328 2.312 20 5 CEBDMN C[C@H]1C[C@H]1CN1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000356530777 280019182 /nfs/dbraw/zinc/01/91/82/280019182.db2.gz QTNWNWJJVZPFPY-QWRGUYRKSA-N 0 1 262.309 2.445 20 5 CEBDMN COC(=O)CCN(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000135225606 280039851 /nfs/dbraw/zinc/03/98/51/280039851.db2.gz QNSVPPZMJWKMPL-UHFFFAOYSA-N 0 1 278.308 2.122 20 5 CEBDMN Cc1cc(C)c([N+](=O)[O-])c(N2CCN3CCCC[C@@H]3C2)n1 ZINC000408172545 280398807 /nfs/dbraw/zinc/39/88/07/280398807.db2.gz XYSFIJJAQZVLLX-CYBMUJFWSA-N 0 1 290.367 2.281 20 5 CEBDMN Cc1ccc2nc(NC(=O)c3cc([N+](=O)[O-])c[nH]3)[nH]c2c1 ZINC000344484831 281160246 /nfs/dbraw/zinc/16/02/46/281160246.db2.gz PLEOEAXWYHHVSI-UHFFFAOYSA-N 0 1 285.263 2.360 20 5 CEBDMN CCCN(CC(N)=O)C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000430130969 281264722 /nfs/dbraw/zinc/26/47/22/281264722.db2.gz XCJYWEAIBUSYLM-WQLSENKSSA-N 0 1 291.351 2.195 20 5 CEBDMN CC[C@@H]1OCC[C@H]1NCc1csc([N+](=O)[O-])c1 ZINC000459745105 290224497 /nfs/dbraw/zinc/22/44/97/290224497.db2.gz RYKVFMXYONHFAA-ZJUUUORDSA-N 0 1 256.327 2.313 20 5 CEBDMN CCCN1CCN(Cc2csc([N+](=O)[O-])c2)CC1 ZINC000194237868 321807961 /nfs/dbraw/zinc/80/79/61/321807961.db2.gz WCNNVKWMLLKMLQ-UHFFFAOYSA-N 0 1 269.370 2.184 20 5 CEBDMN COc1cccc([N+](=O)[O-])c1N1CCN(C)[C@H](C(C)C)C1 ZINC000581260496 322382420 /nfs/dbraw/zinc/38/24/20/322382420.db2.gz IXQZFTFMDRNFTM-ZDUSSCGKSA-N 0 1 293.367 2.380 20 5 CEBDMN C[C@]1(C(=O)[O-])CCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000062875835 525229008 /nfs/dbraw/zinc/22/90/08/525229008.db2.gz LBSBDKQHUHXWFS-HNNXBMFYSA-N 0 1 292.335 2.324 20 5 CEBDMN C[C@@H]1C[C@H](c2cccs2)CN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000370996259 525471125 /nfs/dbraw/zinc/47/11/25/525471125.db2.gz CSYPVNKUXJXJIO-YTWAJWBKSA-N 0 1 280.349 2.118 20 5 CEBDMN O=C(CCCCc1cn[nH]n1)Nc1cccc([N+](=O)[O-])c1 ZINC000184578910 526429593 /nfs/dbraw/zinc/42/95/93/526429593.db2.gz PRAJTCNOKIZVJI-UHFFFAOYSA-N 0 1 289.295 2.064 20 5 CEBDMN O=[N+]([O-])c1cc(Cl)cnc1N[C@@H]1CCN(C2CC2)C1 ZINC000148506316 527335186 /nfs/dbraw/zinc/33/51/86/527335186.db2.gz KBHHSWZBNHJEDQ-SECBINFHSA-N 0 1 282.731 2.292 20 5 CEBDMN CCCc1[nH]nc(C(=O)N2C[C@H](C)[C@H](C)[C@@H]2C)c1[N+](=O)[O-] ZINC000416323527 528546849 /nfs/dbraw/zinc/54/68/49/528546849.db2.gz VCLXKAXXSALAMR-GUBZILKMSA-N 0 1 294.355 2.387 20 5 CEBDMN C[C@H](C(=O)NOCC(F)F)c1ccc([N+](=O)[O-])cc1F ZINC000759328278 574516167 /nfs/dbraw/zinc/51/61/67/574516167.db2.gz PKZNAFNUSMGTDV-LURJTMIESA-N 0 1 292.213 2.150 20 5 CEBDMN COC(=O)C[C@@H](NCc1csc([N+](=O)[O-])c1)C1CC1 ZINC000754522018 574586273 /nfs/dbraw/zinc/58/62/73/574586273.db2.gz YFJJPGOPOWEZFQ-SNVBAGLBSA-N 0 1 284.337 2.088 20 5 CEBDMN C[C@H](C[N@H+](Cc1c(F)cccc1[N+](=O)[O-])C1CC1)C(=O)[O-] ZINC000736583052 574792845 /nfs/dbraw/zinc/79/28/45/574792845.db2.gz JNLBSSREOMFRNZ-SECBINFHSA-N 0 1 296.298 2.419 20 5 CEBDMN C[C@H](C[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])C1CC1)C(=O)[O-] ZINC000736583052 574792847 /nfs/dbraw/zinc/79/28/47/574792847.db2.gz JNLBSSREOMFRNZ-SECBINFHSA-N 0 1 296.298 2.419 20 5 CEBDMN CN(C[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1)C(=O)[O-] ZINC000739665919 574930218 /nfs/dbraw/zinc/93/02/18/574930218.db2.gz OPUXRNRHMUERKL-GFCCVEGCSA-N 0 1 293.323 2.027 20 5 CEBDMN C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H](N(C)C(=O)[O-])C1 ZINC000825637780 603794137 /nfs/dbraw/zinc/79/41/37/603794137.db2.gz HDQAMIPHZRDFEI-QWRGUYRKSA-N 0 1 293.323 2.340 20 5 CEBDMN CO[C@@H]1CC[C@@H]1N(C)Cc1ccccc1[N+](=O)[O-] ZINC000934112665 624233466 /nfs/dbraw/zinc/23/34/66/624233466.db2.gz VCDKTRVRKCUZCF-QWHCGFSZSA-N 0 1 250.298 2.204 20 5 CEBDMN COc1c(O)ccc(CN(C)CC(C)(C)OC)c1[N+](=O)[O-] ZINC000892224446 624437550 /nfs/dbraw/zinc/43/75/50/624437550.db2.gz DONOYAAMCBCGCF-UHFFFAOYSA-N 0 1 298.339 2.166 20 5 CEBDMN O=[N+]([O-])c1ccc(CN2CCC[C@@H](CO)CC2)cc1F ZINC000293216221 627396503 /nfs/dbraw/zinc/39/65/03/627396503.db2.gz RKYWDFDQJOHNBZ-LLVKDONJSA-N 0 1 282.315 2.328 20 5 CEBDMN C[C@H]1CN(c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)[C@@H](C)CN1C ZINC000893079829 627986549 /nfs/dbraw/zinc/98/65/49/627986549.db2.gz KJOZWEDNGJDSBK-UWVGGRQHSA-N 0 1 294.311 2.032 20 5 CEBDMN CCO[C@@H]1C[C@@H](N[C@@H](C)c2ccccc2[N+](=O)[O-])[C@H]1OC ZINC000893280388 628236028 /nfs/dbraw/zinc/23/60/28/628236028.db2.gz WUXRSZRIUHMAEB-QMGNLALYSA-N 0 1 294.351 2.438 20 5 CEBDMN C[C@@H](COC(=O)c1ccc([N+](=O)[O-])[nH]1)[C@@H]1CCCCO1 ZINC000893505632 628660114 /nfs/dbraw/zinc/66/01/14/628660114.db2.gz ORVZLBVIEOCCGN-ONGXEEELSA-N 0 1 282.296 2.285 20 5 CEBDMN O=C(OC[C@]12C[C@H]1CCC2)c1ccc([N+](=O)[O-])[nH]1 ZINC000893625748 628828018 /nfs/dbraw/zinc/82/80/18/628828018.db2.gz KGDKXJHLNUZPAJ-PELKAZGASA-N 0 1 250.254 2.270 20 5 CEBDMN Cc1nn(CN2C[C@@H]3CCC[C@@H]3C2)c(C)c1[N+](=O)[O-] ZINC000151149080 629231585 /nfs/dbraw/zinc/23/15/85/629231585.db2.gz SIKDCRHEXUDZGP-TXEJJXNPSA-N 0 1 264.329 2.098 20 5 CEBDMN O=C(OCc1coc(-c2cccs2)n1)[C@@H]1CC1[N+](=O)[O-] ZINC000840672125 629304229 /nfs/dbraw/zinc/30/42/29/629304229.db2.gz DDHVLVWTAJWNRM-RKDXNWHRSA-N 0 1 294.288 2.112 20 5 CEBDMN C[C@@H]1C[C@@H](C)N1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000791564910 629364837 /nfs/dbraw/zinc/36/48/37/629364837.db2.gz BOYWTISUHRMPNS-GIPNMCIBSA-N 0 1 250.298 2.111 20 5 CEBDMN CN(Cc1ccc(Cl)c([N+](=O)[O-])c1)C1(CO)CC1 ZINC000796500974 629921973 /nfs/dbraw/zinc/92/19/73/629921973.db2.gz LGTVKCVTWGVPJV-UHFFFAOYSA-N 0 1 270.716 2.205 20 5 CEBDMN CC(=O)c1c(N[C@@H]2CCN(C)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000895734233 630324785 /nfs/dbraw/zinc/32/47/85/630324785.db2.gz KVRIQBADDMOMDK-MWLCHTKSSA-N 0 1 277.324 2.302 20 5 CEBDMN CC(C)[C@@H](C(=O)OCc1csc([N+](=O)[O-])c1)N(C)C ZINC000803494191 631574192 /nfs/dbraw/zinc/57/41/92/631574192.db2.gz YHQWHZSONIJENQ-NSHDSACASA-N 0 1 286.353 2.286 20 5 CEBDMN CC(C)[C@@H](N)c1noc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000041123356 632383129 /nfs/dbraw/zinc/38/31/29/632383129.db2.gz VWEOHSCLSXALIA-SNVBAGLBSA-N 0 1 262.269 2.301 20 5 CEBDMN CC(C)[C@H](N)c1noc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000041123354 632383537 /nfs/dbraw/zinc/38/35/37/632383537.db2.gz VWEOHSCLSXALIA-JTQLQIEISA-N 0 1 262.269 2.301 20 5 CEBDMN Cc1ccc([N+](=O)[O-])c(=NOCCOC(C)C)[nH]1 ZINC000812488288 632537700 /nfs/dbraw/zinc/53/77/00/632537700.db2.gz CQCAWDGZGFTPTB-UHFFFAOYSA-N 0 1 255.274 2.067 20 5 CEBDMN Cc1nc(-c2ccccc2)[nH]c1C(=O)OC[C@H](C)[N+](=O)[O-] ZINC000813104667 632622756 /nfs/dbraw/zinc/62/27/56/632622756.db2.gz PTTHREAZRFQKAC-VIFPVBQESA-N 0 1 289.291 2.207 20 5 CEBDMN Cc1nc([C@@H](C)NCC=Cc2ccccc2[N+](=O)[O-])n[nH]1 ZINC000813331093 632668982 /nfs/dbraw/zinc/66/89/82/632668982.db2.gz LEQAKEVWSVYMPJ-ONRRBMGISA-N 0 1 287.323 2.385 20 5 CEBDMN Cc1csc(C2(NC(=O)[C@@H]3CC3[N+](=O)[O-])CCCC2)n1 ZINC000840339207 633636662 /nfs/dbraw/zinc/63/66/62/633636662.db2.gz BOUSDVWOWKMDOI-NXEZZACHSA-N 0 1 295.364 2.002 20 5 CEBDMN CC(C)Oc1ccc(OC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC000840354424 633883460 /nfs/dbraw/zinc/88/34/60/633883460.db2.gz LUUWRKMHKMUAMD-VXGBXAGGSA-N 0 1 265.265 2.044 20 5 CEBDMN CCN1CCC[C@@H](N[C@@H](C)c2ccc([N+](=O)[O-])cc2)C1=O ZINC000903392989 635089495 /nfs/dbraw/zinc/08/94/95/635089495.db2.gz CTARULKNYNJROR-SMDDNHRTSA-N 0 1 291.351 2.256 20 5 CEBDMN O=C([O-])CC[C@H]1CCCC[N@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000903407342 635102733 /nfs/dbraw/zinc/10/27/33/635102733.db2.gz GMRGRBINXNMYAX-GFCCVEGCSA-N 0 1 293.323 2.209 20 5 CEBDMN C[N@@H+](CCCF)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000903625895 635188867 /nfs/dbraw/zinc/18/88/67/635188867.db2.gz UUTFFIHQAAJHGU-UHFFFAOYSA-N 0 1 270.260 2.084 20 5 CEBDMN O=[N+]([O-])CCNCc1cccc(COCc2ccco2)c1 ZINC000905035101 635781890 /nfs/dbraw/zinc/78/18/90/635781890.db2.gz MESDWXTZRJTJTN-UHFFFAOYSA-N 0 1 290.319 2.363 20 5 CEBDMN CC1CCN(c2ccc(CNCC[N+](=O)[O-])cc2)CC1 ZINC000905101265 635815705 /nfs/dbraw/zinc/81/57/05/635815705.db2.gz ILGFRDIVXWSQEX-UHFFFAOYSA-N 0 1 277.368 2.289 20 5 CEBDMN COc1ccc(CNCC[N+](=O)[O-])cc1OC1CCCC1 ZINC000905098188 635831554 /nfs/dbraw/zinc/83/15/54/635831554.db2.gz QMQSBQDTJSCOPB-UHFFFAOYSA-N 0 1 294.351 2.383 20 5 CEBDMN CC(C)N(CC[S@@](C)=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000827487511 636332287 /nfs/dbraw/zinc/33/22/87/636332287.db2.gz VMVAXMBDWBHLPJ-LJQANCHMSA-N 0 1 284.381 2.184 20 5 CEBDMN COC(=O)[C@H]1C[C@H](NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000827812752 636430841 /nfs/dbraw/zinc/43/08/41/636430841.db2.gz WZIUPMCFPVQONM-CZMCAQCFSA-N 0 1 298.726 2.289 20 5 CEBDMN C[C@H]1CNCCN1C(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000876515680 650298213 /nfs/dbraw/zinc/29/82/13/650298213.db2.gz VWEUSKKDQSVEIZ-NSHDSACASA-N 0 1 299.330 2.182 20 5 CEBDMN C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cc3ccccc32)CCN1 ZINC000876530497 650307055 /nfs/dbraw/zinc/30/70/55/650307055.db2.gz SXJDCMUATWJWHM-LLVKDONJSA-N 0 1 299.330 2.182 20 5 CEBDMN O=C(CC1CC1)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837417954 639221148 /nfs/dbraw/zinc/22/11/48/639221148.db2.gz AIOTVWBPMRVRLF-UHFFFAOYSA-N 0 1 251.238 2.144 20 5 CEBDMN O=C(CC[C@H]1CCOC1)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837568696 639287143 /nfs/dbraw/zinc/28/71/43/639287143.db2.gz WWUNSVGEBMUMHY-JTQLQIEISA-N 0 1 295.291 2.160 20 5 CEBDMN Cc1cccc(C)c1OCCCOC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840671445 639521011 /nfs/dbraw/zinc/52/10/11/639521011.db2.gz VEADVUDDLXLZCI-CHWSQXEVSA-N 0 1 293.319 2.281 20 5 CEBDMN C[C@@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])c1cc(F)cc(F)c1 ZINC000841145016 639690413 /nfs/dbraw/zinc/69/04/13/639690413.db2.gz ALKBCEGEIQQVJS-DIMCTHFVSA-N 0 1 271.219 2.234 20 5 CEBDMN O=C(OCc1ccc(OCC2CC2)cc1)[C@@H]1CC1[N+](=O)[O-] ZINC000841198357 639704699 /nfs/dbraw/zinc/70/46/99/639704699.db2.gz RDLGLMDDCNVLST-ZIAGYGMSSA-N 0 1 291.303 2.184 20 5 CEBDMN C[C@H](NC1COC(C)(C)OC1)c1cccc([N+](=O)[O-])c1 ZINC000230680854 639778357 /nfs/dbraw/zinc/77/83/57/639778357.db2.gz IJEPEXWBXOAIEC-JTQLQIEISA-N 0 1 280.324 2.397 20 5 CEBDMN O=[N+]([O-])c1ccc(CN[C@H]2COC[C@@H]2C2CC2)c(F)c1 ZINC000914435324 640407043 /nfs/dbraw/zinc/40/70/43/640407043.db2.gz BILDKGQHAYXOIG-OCCSQVGLSA-N 0 1 280.299 2.249 20 5 CEBDMN CC[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1csc(C)c1 ZINC000843732628 640513122 /nfs/dbraw/zinc/51/31/22/640513122.db2.gz GAEOXPGSIXLVCJ-OUAUKWLOSA-N 0 1 268.338 2.289 20 5 CEBDMN CC[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCCOC1 ZINC000844403217 640709577 /nfs/dbraw/zinc/70/95/77/640709577.db2.gz DUJQIRNKVHHNBW-HUUCEWRRSA-N 0 1 294.351 2.129 20 5 CEBDMN O=C(OCCN1CCCCC1)c1ccc([N+](=O)[O-])cc1F ZINC000917538871 640894465 /nfs/dbraw/zinc/89/44/65/640894465.db2.gz XKPKVWIZXZXCRE-UHFFFAOYSA-N 0 1 296.298 2.377 20 5 CEBDMN O=C(OCCCc1ccncc1)c1ccc([N+](=O)[O-])[nH]1 ZINC000918495196 640964812 /nfs/dbraw/zinc/96/48/12/640964812.db2.gz CAPDZJOBPFVIGO-UHFFFAOYSA-N 0 1 275.264 2.108 20 5 CEBDMN COC[C@@H]1CCN1Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000877550363 650782153 /nfs/dbraw/zinc/78/21/53/650782153.db2.gz OMMPMYUBPWNKOM-LBPRGKRZSA-N 0 1 264.325 2.432 20 5 CEBDMN Cc1nonc1NC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000110266266 643204334 /nfs/dbraw/zinc/20/43/34/643204334.db2.gz BUOGQKMKQGPMLA-UHFFFAOYSA-N 0 1 282.643 2.192 20 5 CEBDMN O=[N+]([O-])c1ccc(CN2CCC[C@@](O)(C3CC3)C2)cc1F ZINC000852501490 643446004 /nfs/dbraw/zinc/44/60/04/643446004.db2.gz NLJYJXNMGXCADK-HNNXBMFYSA-N 0 1 294.326 2.471 20 5 CEBDMN O=[N+]([O-])c1ccc(CN[C@H]2C[C@H](CO)C2)c(Cl)c1 ZINC000923004272 643508459 /nfs/dbraw/zinc/50/84/59/643508459.db2.gz RUDLWJYWGFAUNW-CZMCAQCFSA-N 0 1 270.716 2.109 20 5 CEBDMN CCc1ccc(C(=O)O[C@@H](C)c2nnc[nH]2)cc1[N+](=O)[O-] ZINC000853221575 643709151 /nfs/dbraw/zinc/70/91/51/643709151.db2.gz WFLWFGHOSFLKMV-QMMMGPOBSA-N 0 1 290.279 2.193 20 5 CEBDMN CC(C)(O)[C@@H]1CCN(Cc2csc([N+](=O)[O-])c2)C1 ZINC000877834979 650927189 /nfs/dbraw/zinc/92/71/89/650927189.db2.gz CKQDCUPIEAURKN-SNVBAGLBSA-N 0 1 270.354 2.249 20 5 CEBDMN C[C@@H]1C[C@@H](OC(=O)c2ccc([N+](=O)[O-])[nH]2)C[C@H](C)O1 ZINC000756037503 644596457 /nfs/dbraw/zinc/59/64/57/644596457.db2.gz KSPBZUSRTOBOMY-AYMMMOKOSA-N 0 1 268.269 2.036 20 5 CEBDMN CC(C)CC[C@H]1CCC[C@@H]1NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839643512 644771896 /nfs/dbraw/zinc/77/18/96/644771896.db2.gz LONXCNURZCGTAM-FVCCEPFGSA-N 0 1 268.357 2.373 20 5 CEBDMN C[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839686203 644773493 /nfs/dbraw/zinc/77/34/93/644773493.db2.gz MNQTXWHVHXJYIL-ZWKOPEQDSA-N 0 1 296.754 2.395 20 5 CEBDMN Cc1ccccc1[C@H]1C[C@@H](C)N(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839688684 644774683 /nfs/dbraw/zinc/77/46/83/644774683.db2.gz ULSFYFMEDPNTKX-AYRXBEOTSA-N 0 1 288.347 2.365 20 5 CEBDMN C[C@H]1[C@H](Cc2ccccc2)CCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839695932 644776309 /nfs/dbraw/zinc/77/63/09/644776309.db2.gz NDOJRGQXHMSEQN-SPWCGHHHSA-N 0 1 288.347 2.131 20 5 CEBDMN Cc1ccc(C[C@H]2CCCN2C(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC000839683717 644784652 /nfs/dbraw/zinc/78/46/52/644784652.db2.gz JMJCKKMVAGHOOO-RBSFLKMASA-N 0 1 288.347 2.194 20 5 CEBDMN CCC[C@H](C)[C@H]1CCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839707105 644787328 /nfs/dbraw/zinc/78/73/28/644787328.db2.gz SAGWDFVJJJERFS-IRCOFANPSA-N 0 1 254.330 2.079 20 5 CEBDMN CCC[C@@H](C)[C@@H]1CCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839707107 644787598 /nfs/dbraw/zinc/78/75/98/644787598.db2.gz SAGWDFVJJJERFS-WISYIIOYSA-N 0 1 254.330 2.079 20 5 CEBDMN O=C(NCCC1=CCCCCC1)[C@@H]1CC1[N+](=O)[O-] ZINC000839725985 644793247 /nfs/dbraw/zinc/79/32/47/644793247.db2.gz QSHVYYQMLJMSHN-VXGBXAGGSA-N 0 1 252.314 2.048 20 5 CEBDMN CSc1ccccc1CN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839749136 644804400 /nfs/dbraw/zinc/80/44/00/644804400.db2.gz OVWAZFOITVXVBE-GHMZBOCLSA-N 0 1 280.349 2.032 20 5 CEBDMN O=C(N[C@H]1CC[C@@H](c2cccc(F)c2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000839748389 644804679 /nfs/dbraw/zinc/80/46/79/644804679.db2.gz RQSQOGCMTOPSIZ-YXCITZCRSA-N 0 1 292.310 2.243 20 5 CEBDMN CCc1ccc([C@H]2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)cc1 ZINC000839779791 644814120 /nfs/dbraw/zinc/81/41/20/644814120.db2.gz SVVQUBSLKMHZHU-RRFJBIMHSA-N 0 1 288.347 2.230 20 5 CEBDMN Cc1cc(CNC(=O)c2cc(F)cc(C)c2[N+](=O)[O-])n[nH]1 ZINC000758485989 644934684 /nfs/dbraw/zinc/93/46/84/644934684.db2.gz LINZQCIGDTWBQM-UHFFFAOYSA-N 0 1 292.270 2.004 20 5 CEBDMN Cc1cc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cnc1C(F)(F)F ZINC000857657216 644944085 /nfs/dbraw/zinc/94/40/85/644944085.db2.gz UDDKFZKZZHWOII-HTQZYQBOSA-N 0 1 289.213 2.013 20 5 CEBDMN Cc1cc(NCCc2nc[nH]n2)c(Cl)cc1[N+](=O)[O-] ZINC000771168699 646497624 /nfs/dbraw/zinc/49/76/24/646497624.db2.gz BUVQLIOYMTZIBX-UHFFFAOYSA-N 0 1 281.703 2.329 20 5 CEBDMN O=[N+]([O-])c1ccnn1CN1CCCC2(CC2)CC1 ZINC000863331426 646705771 /nfs/dbraw/zinc/70/57/71/646705771.db2.gz LWPKZBYEABOBDV-UHFFFAOYSA-N 0 1 250.302 2.015 20 5 CEBDMN O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2NCc2ccon2)n1 ZINC000774206203 646818636 /nfs/dbraw/zinc/81/86/36/646818636.db2.gz DAVMIKPAGOFSCN-RYUDHWBXSA-N 0 1 291.311 2.053 20 5 CEBDMN CC(C)[C@@H]1C[C@H]1COC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000774846802 646901986 /nfs/dbraw/zinc/90/19/86/646901986.db2.gz DZDDAFZALXECSF-IUCAKERBSA-N 0 1 252.270 2.372 20 5 CEBDMN CC(C)(C)[C@@H]1CCN(Cn2cc([N+](=O)[O-])cn2)C1 ZINC000784031687 647791171 /nfs/dbraw/zinc/79/11/71/647791171.db2.gz LTOLCSQZBLRLOR-SNVBAGLBSA-N 0 1 252.318 2.117 20 5 CEBDMN C[C@@H](N[C@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1ccnn1C ZINC000866612897 647842811 /nfs/dbraw/zinc/84/28/11/647842811.db2.gz DFRUSMOCXOSXBG-NXEZZACHSA-N 0 1 289.339 2.322 20 5 CEBDMN C[C@@H]1C[C@H](C)N1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000791564908 648543973 /nfs/dbraw/zinc/54/39/73/648543973.db2.gz BOYWTISUHRMPNS-CWSCBRNRSA-N 0 1 250.298 2.111 20 5 CEBDMN C[C@@H](NCCCC(=O)N(C)C)c1c(F)cccc1[N+](=O)[O-] ZINC000872029448 649245852 /nfs/dbraw/zinc/24/58/52/649245852.db2.gz XTFCFNBLBSAHGC-SNVBAGLBSA-N 0 1 297.330 2.253 20 5 CEBDMN C[C@@H](NC[C@]1(C)CCC(=O)N1)c1c(F)cccc1[N+](=O)[O-] ZINC000872077636 649265402 /nfs/dbraw/zinc/26/54/02/649265402.db2.gz KNSJSRJKSKVBLR-OTYXRUKQSA-N 0 1 295.314 2.053 20 5 CEBDMN CCc1cc(CNCc2cccc([N+](=O)[O-])c2C)n[nH]1 ZINC000873049831 649544446 /nfs/dbraw/zinc/54/44/46/649544446.db2.gz MSSWUOXVENXPNR-UHFFFAOYSA-N 0 1 274.324 2.479 20 5 CEBDMN CCc1cc(CNCc2cccc([N+](=O)[O-])c2C)[nH]n1 ZINC000873049831 649544450 /nfs/dbraw/zinc/54/44/50/649544450.db2.gz MSSWUOXVENXPNR-UHFFFAOYSA-N 0 1 274.324 2.479 20 5 CEBDMN C[C@@]1(c2ccccc2)CCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000882025688 651941183 /nfs/dbraw/zinc/94/11/83/651941183.db2.gz GBKSNIUVWPXFKI-NFAWXSAZSA-N 0 1 274.320 2.189 20 5 CEBDMN CC1(C)C[C@H](c2ccccc2)CN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000885232000 652994044 /nfs/dbraw/zinc/99/40/44/652994044.db2.gz KAVLOIDDKQUOPQ-BFHYXJOUSA-N 0 1 288.347 2.446 20 5 CEBDMN CCO[C@H]1C[C@@H](N(C)C(=O)[C@@H]2CC2[N+](=O)[O-])C1(CC)CC ZINC001126742268 806485246 /nfs/dbraw/zinc/48/52/46/806485246.db2.gz SILUGAKYPWUBCL-LPWJVIDDSA-N 0 1 298.383 2.094 20 5 CEBDMN C[C@@H]1CN(Cc2cc(F)ccc2[N+](=O)[O-])C[C@@]1(C)CO ZINC000694696177 803580561 /nfs/dbraw/zinc/58/05/61/803580561.db2.gz XVGMNHCFDDSEPM-YGRLFVJLSA-N 0 1 282.315 2.184 20 5 CEBDMN CC(C)CCOCCOC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000918534841 807975721 /nfs/dbraw/zinc/97/57/21/807975721.db2.gz VOTOVIMLQAFFTJ-UHFFFAOYSA-N 0 1 270.285 2.142 20 5 CEBDMN C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C[C@@H](C)N1 ZINC000702064406 809491997 /nfs/dbraw/zinc/49/19/97/809491997.db2.gz PTIRGRUQKXLWMR-RKDXNWHRSA-N 0 1 297.742 2.071 20 5 CEBDMN O=[N+]([O-])c1ccc(Cl)c(CNCCOCCF)c1 ZINC000702646538 809574427 /nfs/dbraw/zinc/57/44/27/809574427.db2.gz QIVLIDSLLNAWPW-UHFFFAOYSA-N 0 1 276.695 2.324 20 5 CEBDMN CC(C)(C)OC(=O)[C@@H]1CCCN1[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169034172 811346323 /nfs/dbraw/zinc/34/63/23/811346323.db2.gz FTQIBGMCNBALEU-UPJWGTAASA-N 0 1 298.383 2.238 20 5 CEBDMN C[C@@H](C(=O)OC(C)(C)C)N(C)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169039037 811348097 /nfs/dbraw/zinc/34/80/97/811348097.db2.gz MPRQFIQSRJXGSB-SRVKXCTJSA-N 0 1 286.372 2.094 20 5 CEBDMN CC(C)(C)CC(=O)NCCNCc1csc([N+](=O)[O-])c1 ZINC001123611353 815537133 /nfs/dbraw/zinc/53/71/33/815537133.db2.gz CPEJHWQCBQGGMJ-UHFFFAOYSA-N 0 1 299.396 2.298 20 5 CEBDMN O=[N+]([O-])c1ccc2c(c1)CC[C@H](N1C[C@H]3C[C@@H](C1)O3)CC2 ZINC001172912470 815558849 /nfs/dbraw/zinc/55/88/49/815558849.db2.gz AETXTUGJLAMUQQ-BMFZPTHFSA-N 0 1 288.347 2.315 20 5 CEBDMN CCN1CC[C@H]1CNc1ccc([N+](=O)[O-])cc1F ZINC000712616848 814756928 /nfs/dbraw/zinc/75/69/28/814756928.db2.gz RUYADVIASBHQDN-JTQLQIEISA-N 0 1 253.277 2.240 20 5 CEBDMN C[C@@H]1C[N@H+](Cc2cc([O-])ccc2[N+](=O)[O-])[C@H](C)CCO1 ZINC001176971965 816503783 /nfs/dbraw/zinc/50/37/83/816503783.db2.gz WKZJHFAKJVLUIM-GHMZBOCLSA-N 0 1 280.324 2.300 20 5 CEBDMN C[C@@H]1C[N@@H+](Cc2cc([O-])ccc2[N+](=O)[O-])[C@H](C)CCO1 ZINC001176971965 816503789 /nfs/dbraw/zinc/50/37/89/816503789.db2.gz WKZJHFAKJVLUIM-GHMZBOCLSA-N 0 1 280.324 2.300 20 5 CEBDMN O=[N+]([O-])c1ccccc1CCNCc1nccs1 ZINC001178611085 816771484 /nfs/dbraw/zinc/77/14/84/816771484.db2.gz VXOCMVSIEQDJNB-UHFFFAOYSA-N 0 1 263.322 2.384 20 5 CEBDMN Cc1[nH]ncc1CNc1ccc(F)cc1[N+](=O)[O-] ZINC000036967141 361876111 /nfs/dbraw/zinc/87/61/11/361876111.db2.gz CATAFQZJCVIVLV-UHFFFAOYSA-N 0 1 250.233 2.378 20 5 CEBDMN Cc1nn(C)cc1CNCc1cccc([N+](=O)[O-])c1C ZINC000125643159 187194608 /nfs/dbraw/zinc/19/46/08/187194608.db2.gz TWTRQRVRYGATFX-UHFFFAOYSA-N 0 1 274.324 2.235 20 5 CEBDMN C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ncccc1[O-] ZINC000449294874 282176330 /nfs/dbraw/zinc/17/63/30/282176330.db2.gz NVOLKEYILOQASN-NSHDSACASA-N 0 1 287.319 2.416 20 5 CEBDMN COc1cc([N+](=O)[O-])ccc1-n1[nH]c2c(c1=O)[C@@H](C)CC2 ZINC000601934489 346930678 /nfs/dbraw/zinc/93/06/78/346930678.db2.gz BMOVZDLGRQSZNY-ISVAXAHUSA-N 0 1 289.291 2.352 20 5 CEBDMN COc1ccc(CNC2(CF)CCOCC2)cc1[N+](=O)[O-] ZINC000449445023 282240332 /nfs/dbraw/zinc/24/03/32/282240332.db2.gz FRFFCBSVLUKNLN-UHFFFAOYSA-N 0 1 298.314 2.212 20 5 CEBDMN Cc1c([N+](=O)[O-])cccc1N1N=C2CCC[C@H]2C1=O ZINC000601939585 346933634 /nfs/dbraw/zinc/93/36/34/346933634.db2.gz MVQIHUZVULBAGA-SECBINFHSA-N 0 1 259.265 2.406 20 5 CEBDMN Cc1c([N+](=O)[O-])cccc1-n1[nH]c2c(c1=O)CCC2 ZINC000601939585 346933637 /nfs/dbraw/zinc/93/36/37/346933637.db2.gz MVQIHUZVULBAGA-SECBINFHSA-N 0 1 259.265 2.406 20 5 CEBDMN COC1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000053906850 343581850 /nfs/dbraw/zinc/58/18/50/343581850.db2.gz GMKPDYOGMPEOSZ-UHFFFAOYSA-N 0 1 250.298 2.206 20 5 CEBDMN CCc1nc(CNc2ccc([N+](=O)[O-])cc2COC)n[nH]1 ZINC000295043308 199316806 /nfs/dbraw/zinc/31/68/06/199316806.db2.gz XGEQIKZWSLGYRO-UHFFFAOYSA-N 0 1 291.311 2.034 20 5 CEBDMN COCCCn1ccc(Nc2nccc(C)c2[N+](=O)[O-])n1 ZINC000078334476 343947678 /nfs/dbraw/zinc/94/76/78/343947678.db2.gz JADPQIKBRNNQMK-UHFFFAOYSA-N 0 1 291.311 2.275 20 5 CEBDMN CC(C)CN1CCO[C@H](CNc2ccccc2[N+](=O)[O-])C1 ZINC000078379646 343950644 /nfs/dbraw/zinc/95/06/44/343950644.db2.gz DQOLWOCAPDFOHG-CYBMUJFWSA-N 0 1 293.367 2.364 20 5 CEBDMN C[C@H](O)[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000089929702 344131282 /nfs/dbraw/zinc/13/12/82/344131282.db2.gz ZFMZIKBIHGLCRX-WDEREUQCSA-N 0 1 282.315 2.327 20 5 CEBDMN C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@](C)(C(=O)[O-])C1 ZINC000227826244 344557019 /nfs/dbraw/zinc/55/70/19/344557019.db2.gz QDSDIQJAWRKWQH-HZMBPMFUSA-N 0 1 278.308 2.452 20 5 CEBDMN Cc1cc([N+](=O)[O-])ccc1-c1nc([C@H]2CCCN2)no1 ZINC000228560519 344561077 /nfs/dbraw/zinc/56/10/77/344561077.db2.gz PCGDKYJEVLWMGI-LLVKDONJSA-N 0 1 274.280 2.378 20 5 CEBDMN C[C@@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)[C@@H](C(=O)[O-])C1 ZINC000229294676 344564890 /nfs/dbraw/zinc/56/48/90/344564890.db2.gz HRFUHUKWUAYCIK-ZWNOBZJWSA-N 0 1 278.308 2.280 20 5 CEBDMN C[C@@H](CCO)SCc1cc(O)ccc1[N+](=O)[O-] ZINC000591128508 345223163 /nfs/dbraw/zinc/22/31/63/345223163.db2.gz CAHKHSYQULWEGO-QMMMGPOBSA-N 0 1 257.311 2.305 20 5 CEBDMN CNc1ccc(-c2nc([C@@H]3CCCN3)no2)cc1[N+](=O)[O-] ZINC000592357394 345344967 /nfs/dbraw/zinc/34/49/67/345344967.db2.gz ZWNOGONAHFUWAA-JTQLQIEISA-N 0 1 289.295 2.111 20 5 CEBDMN O=C(N[C@@H](C1CCC1)C1CCCC1)c1n[nH]cc1[N+](=O)[O-] ZINC000592830818 345401843 /nfs/dbraw/zinc/40/18/43/345401843.db2.gz GHDLRBVSBPEVAW-GFCCVEGCSA-N 0 1 292.339 2.407 20 5 CEBDMN O=[N+]([O-])c1ccc(CNCc2cnc3n2CCC3)cc1 ZINC000594924647 345704109 /nfs/dbraw/zinc/70/41/09/345704109.db2.gz KKSVEFXEPOQCEM-UHFFFAOYSA-N 0 1 272.308 2.027 20 5 CEBDMN Cc1noc(CNC2(C3CCC3)CC2)c1[N+](=O)[O-] ZINC000595557050 345812112 /nfs/dbraw/zinc/81/21/12/345812112.db2.gz DOWRVFDKBCSAST-UHFFFAOYSA-N 0 1 251.286 2.314 20 5 CEBDMN Cc1noc(CN2CCC[C@H]([C@H]3CCOC3)C2)c1[N+](=O)[O-] ZINC000595388990 345772448 /nfs/dbraw/zinc/77/24/48/345772448.db2.gz JXYHUTFMQCJPCQ-RYUDHWBXSA-N 0 1 295.339 2.140 20 5 CEBDMN Cc1noc(CN[C@H](C(C)C)[C@@H](CO)C(C)C)c1[N+](=O)[O-] ZINC000595523138 345803251 /nfs/dbraw/zinc/80/32/51/345803251.db2.gz IKZAVLIAGOFYEN-WCQYABFASA-N 0 1 299.371 2.270 20 5 CEBDMN CC[C@@H]1[C@@H](CO)CCN1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595529721 345803826 /nfs/dbraw/zinc/80/38/26/345803826.db2.gz QZHSUNSDKFFTAH-DGCLKSJQSA-N 0 1 282.315 2.327 20 5 CEBDMN CO[C@@]1(CO)CCCN([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000595660324 345841061 /nfs/dbraw/zinc/84/10/61/345841061.db2.gz FEDBOWUIHICBEF-DOMZBBRYSA-N 0 1 294.351 2.129 20 5 CEBDMN O=[N+]([O-])c1ccc(CN2CCC[C@@](O)(C3CC3)C2)c(F)c1 ZINC000595749104 345865866 /nfs/dbraw/zinc/86/58/66/345865866.db2.gz DNJOMHWCMPCCCY-HNNXBMFYSA-N 0 1 294.326 2.471 20 5 CEBDMN C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2F)C[C@@]1(C)CO ZINC000595871965 345903000 /nfs/dbraw/zinc/90/30/00/345903000.db2.gz JEWNRYJPBLGZLI-YGRLFVJLSA-N 0 1 282.315 2.184 20 5 CEBDMN COc1cc(CN2C[C@@H](C)[C@@](C)(CO)C2)ccc1[N+](=O)[O-] ZINC000595873711 345903035 /nfs/dbraw/zinc/90/30/35/345903035.db2.gz MPLAIGSQGVNJEO-IAQYHMDHSA-N 0 1 294.351 2.054 20 5 CEBDMN CN(CC1=CCSC1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000595888780 345906654 /nfs/dbraw/zinc/90/66/54/345906654.db2.gz ONJAABVMCWRIQF-UHFFFAOYSA-N 0 1 280.349 2.405 20 5 CEBDMN C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC2CC1(C)C2 ZINC000595917609 345912789 /nfs/dbraw/zinc/91/27/89/345912789.db2.gz ZIVGSYPGPPYSET-NLTNOIMHSA-N 0 1 289.335 2.406 20 5 CEBDMN O=[N+]([O-])c1cc(Cl)cnc1N1CCCc2[nH]ncc2C1 ZINC000596002437 345922275 /nfs/dbraw/zinc/92/22/75/345922275.db2.gz GFNLPMGMHYEMHG-UHFFFAOYSA-N 0 1 293.714 2.319 20 5 CEBDMN Cc1cc(N(C)Cc2cnc[nH]2)c([N+](=O)[O-])s1 ZINC000596313801 345997324 /nfs/dbraw/zinc/99/73/24/345997324.db2.gz UGEZYJWEMFUQIT-UHFFFAOYSA-N 0 1 252.299 2.324 20 5 CEBDMN CN1CC(C[N@@H+](C)C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000597202666 346147756 /nfs/dbraw/zinc/14/77/56/346147756.db2.gz HTDOXUYLAUFMGH-ALCCZGGFSA-N 0 1 275.352 2.101 20 5 CEBDMN CC(C)(NC(=O)c1cc(O)cc([N+](=O)[O-])c1)C(F)(F)F ZINC000597757159 346226916 /nfs/dbraw/zinc/22/69/16/346226916.db2.gz DVSXAEAOIRXXNO-UHFFFAOYSA-N 0 1 292.213 2.371 20 5 CEBDMN CCN(C(=O)c1cc([N+](=O)[O-])c(C)s1)[C@H]1CCN(C)C1 ZINC000597947569 346256714 /nfs/dbraw/zinc/25/67/14/346256714.db2.gz YXZQZRRYIBFIPI-JTQLQIEISA-N 0 1 297.380 2.131 20 5 CEBDMN CC(C)(F)CCNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000598197196 346302945 /nfs/dbraw/zinc/30/29/45/346302945.db2.gz ZCUGPYWOJKAXBD-UHFFFAOYSA-N 0 1 294.286 2.339 20 5 CEBDMN CC[C@@H]1CCC[C@H](C)N1C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000598463340 346361079 /nfs/dbraw/zinc/36/10/79/346361079.db2.gz WSVJDPVQTMYGDJ-WCBMZHEXSA-N 0 1 280.328 2.420 20 5 CEBDMN CN(C[C@@H]1CC1(C)C)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000598549814 346373536 /nfs/dbraw/zinc/37/35/36/346373536.db2.gz DVZZCYYVEIKMCP-JTQLQIEISA-N 0 1 278.308 2.419 20 5 CEBDMN C[C@@H]1CCN(Cc2ccc(F)cc2[N+](=O)[O-])C[C@@H]1CO ZINC000598647569 346392257 /nfs/dbraw/zinc/39/22/57/346392257.db2.gz OUHWSWJOJDOWCW-ZYHUDNBSSA-N 0 1 282.315 2.184 20 5 CEBDMN COc1ccc([N+](=O)[O-])cc1CN1CC[C@H](C)[C@@H](CO)C1 ZINC000598646606 346392381 /nfs/dbraw/zinc/39/23/81/346392381.db2.gz URLPRJJDTFIPHW-WCQYABFASA-N 0 1 294.351 2.054 20 5 CEBDMN O=[N+]([O-])c1cc(CN[C@H](CO)Cc2ccccc2)cs1 ZINC000063218896 362763053 /nfs/dbraw/zinc/76/30/53/362763053.db2.gz NUYQVLHPFLSNMI-ZDUSSCGKSA-N 0 1 292.360 2.350 20 5 CEBDMN O=[N+]([O-])c1ccc(OCCSCCc2c[nH]nn2)cc1 ZINC000600568714 346655042 /nfs/dbraw/zinc/65/50/42/346655042.db2.gz KSDXPBPGZMNCSQ-UHFFFAOYSA-N 0 1 294.336 2.068 20 5 CEBDMN Cc1nc([C@@H]2CCCN(c3ccsc3[N+](=O)[O-])C2)n[nH]1 ZINC000601129876 346763257 /nfs/dbraw/zinc/76/32/57/346763257.db2.gz NQQIVDWOEWUVCZ-SECBINFHSA-N 0 1 293.352 2.467 20 5 CEBDMN Cc1nnc([C@@H]2CCCN(c3ccsc3[N+](=O)[O-])C2)[nH]1 ZINC000601129876 346763259 /nfs/dbraw/zinc/76/32/59/346763259.db2.gz NQQIVDWOEWUVCZ-SECBINFHSA-N 0 1 293.352 2.467 20 5 CEBDMN CC(C)=CCN[C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000601148421 346769708 /nfs/dbraw/zinc/76/97/08/346769708.db2.gz BMEJCGUWLROZHL-CQSZACIVSA-N 0 1 264.325 2.358 20 5 CEBDMN CO[C@@H](C)[C@H](C)NCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602629518 347112233 /nfs/dbraw/zinc/11/22/33/347112233.db2.gz KSANFPRTYXRWND-IUCAKERBSA-N 0 1 279.296 2.249 20 5 CEBDMN Cc1cc(N2CC(N3CCCC3)C2)c(F)cc1[N+](=O)[O-] ZINC000601193915 346782949 /nfs/dbraw/zinc/78/29/49/346782949.db2.gz RXQGZYZQDHSKQH-UHFFFAOYSA-N 0 1 279.315 2.327 20 5 CEBDMN Cn1cc(CN2CCSC3(CCC3)CC2)c([N+](=O)[O-])n1 ZINC000602693920 347151869 /nfs/dbraw/zinc/15/18/69/347151869.db2.gz HVUMMLWALURIMB-UHFFFAOYSA-N 0 1 296.396 2.190 20 5 CEBDMN CCN(CCn1c(C)ncc1[N+](=O)[O-])Cc1ccccn1 ZINC000602788305 347198786 /nfs/dbraw/zinc/19/87/86/347198786.db2.gz NJJDRVUUOOBIAP-UHFFFAOYSA-N 0 1 289.339 2.017 20 5 CEBDMN CCc1[nH]ncc1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000609581188 347644509 /nfs/dbraw/zinc/64/45/09/347644509.db2.gz HFNPBVWKQILSRQ-UHFFFAOYSA-N 0 1 260.253 2.133 20 5 CEBDMN Cc1cc(CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])n[nH]1 ZINC000609594679 347645641 /nfs/dbraw/zinc/64/56/41/347645641.db2.gz CHNCDDBITFJFNH-UHFFFAOYSA-N 0 1 294.698 2.210 20 5 CEBDMN C[C@H](NCCn1ccccc1=O)c1ccccc1[N+](=O)[O-] ZINC000610342439 347673314 /nfs/dbraw/zinc/67/33/14/347673314.db2.gz SSFXSAUWNZXSNQ-LBPRGKRZSA-N 0 1 287.319 2.107 20 5 CEBDMN O=[N+]([O-])c1ccsc1N[C@@H]1CCN(C2CC2)C1 ZINC000611412749 347776295 /nfs/dbraw/zinc/77/62/95/347776295.db2.gz YRVAOUZJIOFWHA-MRVPVSSYSA-N 0 1 253.327 2.305 20 5 CEBDMN Cc1ccc([N+](=O)[O-])c(N2CCc3cn[nH]c3C2)c1 ZINC000611007196 347732163 /nfs/dbraw/zinc/73/21/63/347732163.db2.gz WNIWTHHJGIUKHT-UHFFFAOYSA-N 0 1 258.281 2.189 20 5 CEBDMN CC(C)c1[nH]nc(C(=O)N2CC[C@H](C)[C@H](F)C2)c1[N+](=O)[O-] ZINC000611505557 347786903 /nfs/dbraw/zinc/78/69/03/347786903.db2.gz CQIAEIIWOFURIZ-DTWKUNHWSA-N 0 1 298.318 2.261 20 5 CEBDMN O=C([O-])C[C@@H]1CCC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000086756865 179323455 /nfs/dbraw/zinc/32/34/55/179323455.db2.gz BUVUXNSXLHTSQV-VIFPVBQESA-N 0 1 284.337 2.343 20 5 CEBDMN CC[C@@H](N[C@H]1CCN(CC)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000619823376 349238401 /nfs/dbraw/zinc/23/84/01/349238401.db2.gz YQDTZMMZWUQRBP-KGLIPLIRSA-N 0 1 291.351 2.256 20 5 CEBDMN CCCc1[nH]nc(C(=O)N(C)CC(C)(C)C)c1[N+](=O)[O-] ZINC000109621796 186267229 /nfs/dbraw/zinc/26/72/29/186267229.db2.gz OBZMMSMDEBFPOY-UHFFFAOYSA-N 0 1 282.344 2.389 20 5 CEBDMN C[C@@H](O)C[C@@H]1CCCN1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000124041451 187119701 /nfs/dbraw/zinc/11/97/01/187119701.db2.gz ZFUQOBTZPCMRQU-PWSUYJOCSA-N 0 1 282.315 2.469 20 5 CEBDMN NC(=O)c1ccc(CN2CCC3(CCC3)C2)c([N+](=O)[O-])c1 ZINC000123339712 187085917 /nfs/dbraw/zinc/08/59/17/187085917.db2.gz CLVVCGYKFCGSDB-UHFFFAOYSA-N 0 1 289.335 2.070 20 5 CEBDMN CC1(C)CCC(CNC(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC000132715248 366166814 /nfs/dbraw/zinc/16/68/14/366166814.db2.gz LCKVULPBCZTLKQ-UHFFFAOYSA-N 0 1 280.328 2.264 20 5 CEBDMN COc1ccc([N+](=O)[O-])cc1CN1CC[C@@H](OC)[C@H](C)C1 ZINC000451543678 283028238 /nfs/dbraw/zinc/02/82/38/283028238.db2.gz LPSHXXLKONFYIB-BXUZGUMPSA-N 0 1 294.351 2.460 20 5 CEBDMN CC1(C)[C@@H](O)C[C@@H]1NCc1ccc([N+](=O)[O-])cc1Cl ZINC000133539562 366233960 /nfs/dbraw/zinc/23/39/60/366233960.db2.gz IZWWGEBWNIBCSO-RYUDHWBXSA-N 0 1 284.743 2.497 20 5 CEBDMN CCO[C@@H]1COC[C@H]1N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000451941463 283148095 /nfs/dbraw/zinc/14/80/95/283148095.db2.gz YQXYGFIMRWBMKI-ZLKJLUDKSA-N 0 1 280.324 2.049 20 5 CEBDMN CCN(CC)C(=O)CN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000134823724 366363377 /nfs/dbraw/zinc/36/33/77/366363377.db2.gz SEURGLHRYOVGES-LLVKDONJSA-N 0 1 279.340 2.114 20 5 CEBDMN CCc1[nH]nc(C(=O)N2CC(CC)(CC)C2)c1[N+](=O)[O-] ZINC000294443421 199041190 /nfs/dbraw/zinc/04/11/90/199041190.db2.gz PNJHSMYMNIQFML-UHFFFAOYSA-N 0 1 280.328 2.143 20 5 CEBDMN Cn1cc(CNC(C)(C)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000080347008 363658165 /nfs/dbraw/zinc/65/81/65/363658165.db2.gz YZYLMIDIZDFVMO-UHFFFAOYSA-N 0 1 274.324 2.353 20 5 CEBDMN COc1cc(CN2CCC[C@@]23CCOC3)ccc1[N+](=O)[O-] ZINC000341930053 216156941 /nfs/dbraw/zinc/15/69/41/216156941.db2.gz BMGWLEGDKBFONH-HNNXBMFYSA-N 0 1 292.335 2.358 20 5 CEBDMN CCCCNC(=O)CN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180412836 189253987 /nfs/dbraw/zinc/25/39/87/189253987.db2.gz JFOYIPCDENBKSK-LLVKDONJSA-N 0 1 279.340 2.162 20 5 CEBDMN O=C(Nc1ccc2c[nH]nc2c1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356372071 370682597 /nfs/dbraw/zinc/68/25/97/370682597.db2.gz XKDXYBDTYNDNRN-UHFFFAOYSA-N 0 1 298.258 2.429 20 5 CEBDMN CN(Cc1nnc[nH]1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000301550484 201062744 /nfs/dbraw/zinc/06/27/44/201062744.db2.gz GTIWUPYJTFYCIX-UHFFFAOYSA-N 0 1 267.676 2.003 20 5 CEBDMN O=C([O-])C[N@@H+](Cc1csc([N+](=O)[O-])c1)C1CCCC1 ZINC000086748933 363838454 /nfs/dbraw/zinc/83/84/54/363838454.db2.gz UDBNGUNMOMRXGW-UHFFFAOYSA-N 0 1 284.337 2.486 20 5 CEBDMN Cc1c(CN[C@H](C)c2cccc([N+](=O)[O-])c2)cnn1C ZINC000093650042 364211467 /nfs/dbraw/zinc/21/14/67/364211467.db2.gz GCJFGNKZEOSRNP-SNVBAGLBSA-N 0 1 274.324 2.488 20 5 CEBDMN COCC1CCN(Cc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000112354608 364798711 /nfs/dbraw/zinc/79/87/11/364798711.db2.gz CNVVCSJATZCYSA-UHFFFAOYSA-N 0 1 294.351 2.462 20 5 CEBDMN Cc1nn(C)cc1[C@H](C)NCc1cccc([N+](=O)[O-])c1 ZINC000112837380 364849249 /nfs/dbraw/zinc/84/92/49/364849249.db2.gz ACTOPICAPPXFDP-JTQLQIEISA-N 0 1 274.324 2.488 20 5 CEBDMN CC[C@H]1CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000120785466 365475338 /nfs/dbraw/zinc/47/53/38/365475338.db2.gz WYRNQZALOJKZIB-VIFPVBQESA-N 0 1 288.307 2.343 20 5 CEBDMN C[C@H]1CN(CCOc2cccc([N+](=O)[O-])c2)CCS1 ZINC000171691143 367595382 /nfs/dbraw/zinc/59/53/82/367595382.db2.gz VLNMVXMYVONSBV-NSHDSACASA-N 0 1 282.365 2.411 20 5 CEBDMN O=C(Nc1nncs1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000343493551 367844956 /nfs/dbraw/zinc/84/49/56/367844956.db2.gz AIEWKHHLUCPGDK-UHFFFAOYSA-N 0 1 290.260 2.445 20 5 CEBDMN O=[N+]([O-])c1cnn(CCN2CCC[C@H](C(F)(F)F)C2)c1 ZINC000174809071 368070459 /nfs/dbraw/zinc/07/04/59/368070459.db2.gz CUYFMQABEGPOPG-VIFPVBQESA-N 0 1 292.261 2.066 20 5 CEBDMN COCCO[C@H]1CCCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000179341995 368334261 /nfs/dbraw/zinc/33/42/61/368334261.db2.gz VUTRTPCZVMFIQI-AWEZNQCLSA-N 0 1 294.351 2.222 20 5 CEBDMN CC(C)(NC(=O)c1n[nH]cc1[N+](=O)[O-])c1ccccc1F ZINC000345830920 368445255 /nfs/dbraw/zinc/44/52/55/368445255.db2.gz JYPKNHWAPPFJIU-UHFFFAOYSA-N 0 1 292.270 2.122 20 5 CEBDMN COc1ccc(CN2CC[C@H](C)[C@@H](OC)C2)cc1[N+](=O)[O-] ZINC000189350802 369502751 /nfs/dbraw/zinc/50/27/51/369502751.db2.gz CTGPPGLXAOKGBO-NHYWBVRUSA-N 0 1 294.351 2.460 20 5 CEBDMN C[C@@H]1CC[C@@H](C)N1CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000330889536 203357435 /nfs/dbraw/zinc/35/74/35/203357435.db2.gz BKAXGOTZCRRUOW-GHMZBOCLSA-N 0 1 277.324 2.406 20 5 CEBDMN Cn1c(C(=O)Nc2ccc3nc[nH]c3c2)ccc1[N+](=O)[O-] ZINC000352625804 369811873 /nfs/dbraw/zinc/81/18/73/369811873.db2.gz JOBMPKBJJPPKLN-UHFFFAOYSA-N 0 1 285.263 2.062 20 5 CEBDMN C[N@H+]1CCC[C@@H]1CNCc1ccc([N+](=O)[O-])cc1Cl ZINC000230142342 370441672 /nfs/dbraw/zinc/44/16/72/370441672.db2.gz UVMJEQCVARRWJU-GFCCVEGCSA-N 0 1 283.759 2.432 20 5 CEBDMN Cc1c(CNCc2cccc([N+](=O)[O-])c2C)cnn1C ZINC000231884520 370497759 /nfs/dbraw/zinc/49/77/59/370497759.db2.gz AJHHESXSZPEERI-UHFFFAOYSA-N 0 1 274.324 2.235 20 5 CEBDMN CCN(Cc1c([N+](=O)[O-])ncn1C)[C@H](C)C(C)C ZINC000355545717 370595488 /nfs/dbraw/zinc/59/54/88/370595488.db2.gz OQVZXWPTSDUZFG-SNVBAGLBSA-N 0 1 254.334 2.195 20 5 CEBDMN CCC[C@H]1CNCCN1C(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000359212023 371376388 /nfs/dbraw/zinc/37/63/88/371376388.db2.gz KGLDASZGFXLXKF-JTQLQIEISA-N 0 1 297.380 2.179 20 5 CEBDMN CCCN(CC)C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000269371147 372433817 /nfs/dbraw/zinc/43/38/17/372433817.db2.gz MCKIVBAKULEJKN-UHFFFAOYSA-N 0 1 268.317 2.313 20 5 CEBDMN C[C@@H](O)C[C@H]1CCCN1Cc1csc([N+](=O)[O-])c1 ZINC000269772567 372562903 /nfs/dbraw/zinc/56/29/03/372562903.db2.gz BUNSZCFBUDYVQJ-MWLCHTKSSA-N 0 1 270.354 2.392 20 5 CEBDMN Cc1[nH]nc(C(=O)N2CC[C@@H](C)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000269856636 372579571 /nfs/dbraw/zinc/57/95/71/372579571.db2.gz YWUNHKSALXUTJX-RKDXNWHRSA-N 0 1 280.328 2.135 20 5 CEBDMN COc1ccc([C@@H]2CCCN2C(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC000363010073 372614520 /nfs/dbraw/zinc/61/45/20/372614520.db2.gz DZWOHHCYWWNDIY-HZSPNIEDSA-N 0 1 290.319 2.024 20 5 CEBDMN O=[N+]([O-])c1ccc(F)cc1N1CCN2CCC1CC2 ZINC000364120098 372672801 /nfs/dbraw/zinc/67/28/01/372672801.db2.gz HKCOQQGRSMAFHO-UHFFFAOYSA-N 0 1 265.288 2.018 20 5 CEBDMN COc1cc([N+](=O)[O-])ccc1CN1CC[C@@]2(CCOC2)C1 ZINC000366615414 373091623 /nfs/dbraw/zinc/09/16/23/373091623.db2.gz BNIJPZDRDAXBME-OAHLLOKOSA-N 0 1 292.335 2.216 20 5 CEBDMN CCCN(CC)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272572625 373558205 /nfs/dbraw/zinc/55/82/05/373558205.db2.gz NGXWJQIVVQBZBK-UHFFFAOYSA-N 0 1 252.270 2.173 20 5 CEBDMN CC[C@H](CSC)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272606494 373577034 /nfs/dbraw/zinc/57/70/34/373577034.db2.gz VHUNULLGAATWNJ-SECBINFHSA-N 0 1 284.337 2.172 20 5 CEBDMN CCOc1cc(CN2CCC[C@@H](CO)C2)ccc1[N+](=O)[O-] ZINC000276931290 374349377 /nfs/dbraw/zinc/34/93/77/374349377.db2.gz QXSGBJWEGIEKNM-CYBMUJFWSA-N 0 1 294.351 2.198 20 5 CEBDMN O=C([C@H]1CC1[N+](=O)[O-])N1CCC(c2cccc(F)c2)CC1 ZINC000374068960 374480782 /nfs/dbraw/zinc/48/07/82/374480782.db2.gz XRYBPNIFGXNLMP-UONOGXRCSA-N 0 1 292.310 2.197 20 5 CEBDMN O=[N+]([O-])c1cc(Cl)cnc1NCCN1CC=CCC1 ZINC000280256455 375145691 /nfs/dbraw/zinc/14/56/91/375145691.db2.gz NPSJTIQWPOLONS-UHFFFAOYSA-N 0 1 282.731 2.317 20 5 CEBDMN C[C@@H]1C[C@@H](C)N(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000408150781 375418496 /nfs/dbraw/zinc/41/84/96/375418496.db2.gz RTEYWCOXUQADPX-RKDXNWHRSA-N 0 1 288.307 2.342 20 5 CEBDMN Cc1ccc([C@H](C)N[C@H](C)C(=O)NCCF)cc1[N+](=O)[O-] ZINC000282809856 375580808 /nfs/dbraw/zinc/58/08/08/375580808.db2.gz RGCYQMHXXBKGRZ-WDEREUQCSA-N 0 1 297.330 2.028 20 5 CEBDMN CC[N@H+]1CCN(Cc2ccc([N+](=O)[O-])c(F)c2)[C@@H](C)C1 ZINC000286520487 375981334 /nfs/dbraw/zinc/98/13/34/375981334.db2.gz NEOZLEUEJXKUNU-NSHDSACASA-N 0 1 281.331 2.260 20 5 CEBDMN COCCOCCN(C)[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000288764028 376383572 /nfs/dbraw/zinc/38/35/72/376383572.db2.gz HRZMHVYVTZXYIW-GFCCVEGCSA-N 0 1 282.340 2.251 20 5 CEBDMN C[C@H](NCCOc1ccc([N+](=O)[O-])cc1)c1ncc[nH]1 ZINC000556860447 376510009 /nfs/dbraw/zinc/51/00/09/376510009.db2.gz BJVIDOZAINYCBB-JTQLQIEISA-N 0 1 276.296 2.048 20 5 CEBDMN C[C@H](NCc1cncn1C)c1ccc([N+](=O)[O-])cc1 ZINC000289915676 376557339 /nfs/dbraw/zinc/55/73/39/376557339.db2.gz UOYZJTDCHDEUPE-JTQLQIEISA-N 0 1 260.297 2.179 20 5 CEBDMN Cc1[nH]nc(C(=O)N(C)C2CCCCCC2)c1[N+](=O)[O-] ZINC000264260223 190100140 /nfs/dbraw/zinc/10/01/40/190100140.db2.gz JAZPXOOPILUKOC-UHFFFAOYSA-N 0 1 280.328 2.421 20 5 CEBDMN O=[N+]([O-])c1ccc(CN2CC[C@@H](n3cccn3)C2)cc1 ZINC000291225732 377130460 /nfs/dbraw/zinc/13/04/60/377130460.db2.gz JUNOJJLLGQAOTP-CQSZACIVSA-N 0 1 272.308 2.238 20 5 CEBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CC[C@H](C(=O)[O-])C1 ZINC000564336627 377379657 /nfs/dbraw/zinc/37/96/57/377379657.db2.gz CGMFXHPFYUBBIU-MNOVXSKESA-N 0 1 278.308 2.371 20 5 CEBDMN O=C(NCc1cccc(F)c1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000427930888 377467718 /nfs/dbraw/zinc/46/77/18/377467718.db2.gz SUYXXUYFVUSULA-UHFFFAOYSA-N 0 1 290.250 2.370 20 5 CEBDMN O=[N+]([O-])c1cc(CN2CCC[C@H]2CCCO)cs1 ZINC000332653104 377654015 /nfs/dbraw/zinc/65/40/15/377654015.db2.gz MRCWNKPSXDSEDG-NSHDSACASA-N 0 1 270.354 2.393 20 5 CEBDMN CCc1[nH]nc(C(=O)N2CC(C)(C)[C@H]2C(C)C)c1[N+](=O)[O-] ZINC000293836921 377781026 /nfs/dbraw/zinc/78/10/26/377781026.db2.gz IIAQMVURGSBEOM-GFCCVEGCSA-N 0 1 294.355 2.387 20 5 CEBDMN Cc1ccc([C@H](O)CNCc2csc([N+](=O)[O-])c2)o1 ZINC000265993005 190221502 /nfs/dbraw/zinc/22/15/02/190221502.db2.gz OATZBHYFEGZQHG-SNVBAGLBSA-N 0 1 282.321 2.381 20 5 CEBDMN CC[C@@H]1CCCC[C@@H]1CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000295675529 378260542 /nfs/dbraw/zinc/26/05/42/378260542.db2.gz IDJDARFZSXJULQ-NXEZZACHSA-N 0 1 280.328 2.264 20 5 CEBDMN COC[C@@H](NCc1ccc([N+](=O)[O-])cc1F)[C@H]1CCCO1 ZINC000278542322 194034229 /nfs/dbraw/zinc/03/42/29/194034229.db2.gz AABVGYJGTDYVLG-ZIAGYGMSSA-N 0 1 298.314 2.018 20 5 CEBDMN Cc1[nH]nc(C(=O)N2C[C@H](C(C)C)[C@@H]2C(C)C)c1[N+](=O)[O-] ZINC000456291846 379375964 /nfs/dbraw/zinc/37/59/64/379375964.db2.gz AFJWELJRAUFZDV-PWSUYJOCSA-N 0 1 294.355 2.379 20 5 CEBDMN C[C@H](O)[C@H]1CCCCN1Cc1ccc([N+](=O)[O-])cc1F ZINC000304524903 379585145 /nfs/dbraw/zinc/58/51/45/379585145.db2.gz YYIXVUPCNXFSTP-IINYFYTJSA-N 0 1 282.315 2.469 20 5 CEBDMN CC1(C)CCC[C@H](CNC(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000456915506 379596005 /nfs/dbraw/zinc/59/60/05/379596005.db2.gz KFTAFEJAUODJCZ-VIFPVBQESA-N 0 1 280.328 2.264 20 5 CEBDMN CC[C@H](C)CN(CC)C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000267120929 190305166 /nfs/dbraw/zinc/30/51/66/190305166.db2.gz PNXDFQCGDFLHQL-QMMMGPOBSA-N 0 1 268.317 2.135 20 5 CEBDMN CCOc1cc(CN2CC[C@](O)(CC)C2)ccc1[N+](=O)[O-] ZINC000492819838 380700019 /nfs/dbraw/zinc/70/00/19/380700019.db2.gz UAQPUPNZLPARJL-OAHLLOKOSA-N 0 1 294.351 2.340 20 5 CEBDMN O=[N+]([O-])c1ccc(O)cc1CN1CCC[C@@H]1c1ncon1 ZINC000555337279 380822965 /nfs/dbraw/zinc/82/29/65/380822965.db2.gz GQRGCYBDROAIAP-GFCCVEGCSA-N 0 1 290.279 2.021 20 5 CEBDMN CCN(C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)C1CCC1 ZINC000353902014 220399623 /nfs/dbraw/zinc/39/96/23/220399623.db2.gz NGRIFIXBHLBGFG-UHFFFAOYSA-N 0 1 288.307 2.486 20 5 CEBDMN CC(C)[C@@H]1CN(C)CCN1c1ccccc1[N+](=O)[O-] ZINC000301364730 394460347 /nfs/dbraw/zinc/46/03/47/394460347.db2.gz NJTSGBQINCOCKD-AWEZNQCLSA-N 0 1 263.341 2.371 20 5 CEBDMN C[C@@H]1C[C@H](C)[C@H](C)N(Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000355745115 394519172 /nfs/dbraw/zinc/51/91/72/394519172.db2.gz ZWIRYVLKFNXIKG-VWYCJHECSA-N 0 1 266.345 2.195 20 5 CEBDMN O=C1[C@@H]2CCCCC2=NN1c1ccc([N+](=O)[O-])cc1 ZINC000048771141 394528400 /nfs/dbraw/zinc/52/84/00/394528400.db2.gz NFFOLTALZFUXPX-LLVKDONJSA-N 0 1 259.265 2.488 20 5 CEBDMN O=c1c2c([nH]n1-c1ccc([N+](=O)[O-])cc1)CCCC2 ZINC000048771141 394528407 /nfs/dbraw/zinc/52/84/07/394528407.db2.gz NFFOLTALZFUXPX-LLVKDONJSA-N 0 1 259.265 2.488 20 5 CEBDMN Cc1ccc([N+](=O)[O-])c(NCc2n[nH]c(C(C)(C)C)n2)n1 ZINC000413410666 394545953 /nfs/dbraw/zinc/54/59/53/394545953.db2.gz KJJWTKIJFFGVPJ-UHFFFAOYSA-N 0 1 290.327 2.326 20 5 CEBDMN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCNC(C)(C)C1 ZINC000421780139 394592252 /nfs/dbraw/zinc/59/22/52/394592252.db2.gz QUHUXXQYDGOHDO-UHFFFAOYSA-N 0 1 291.351 2.036 20 5 CEBDMN C[C@@H]1[C@H](C)N(C)CCN1Cc1ccc([N+](=O)[O-])cc1F ZINC000357008850 394680539 /nfs/dbraw/zinc/68/05/39/394680539.db2.gz VDHQVWHWZVCJJZ-WDEREUQCSA-N 0 1 281.331 2.258 20 5 CEBDMN Cc1cc(C[C@@H](C)Nc2cc(C)c([N+](=O)[O-])cn2)[nH]n1 ZINC000268952643 394703782 /nfs/dbraw/zinc/70/37/82/394703782.db2.gz IUVABWJIYWDONQ-SECBINFHSA-N 0 1 275.312 2.373 20 5 CEBDMN CC[C@H](N[C@@H]1COC[C@@H]1OC)c1cccc([N+](=O)[O-])c1 ZINC000414187676 394725917 /nfs/dbraw/zinc/72/59/17/394725917.db2.gz QKGRVCDLTOTULO-MJBXVCDLSA-N 0 1 280.324 2.049 20 5 CEBDMN CC[C@@H]1c2ccsc2CCN1C(=O)[C@H]1CC1[N+](=O)[O-] ZINC000363009897 394873122 /nfs/dbraw/zinc/87/31/22/394873122.db2.gz BLFIATVZVGXTOD-HBNTYKKESA-N 0 1 280.349 2.249 20 5 CEBDMN Cc1cc(CC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)n[nH]1 ZINC000132828646 394938165 /nfs/dbraw/zinc/93/81/65/394938165.db2.gz NQVYGCCRRJBXJH-UHFFFAOYSA-N 0 1 274.280 2.116 20 5 CEBDMN COc1cc(CN[C@]2(C)CCO[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000494237211 395102438 /nfs/dbraw/zinc/10/24/38/395102438.db2.gz JNUNXUXWSURLIZ-YMTOWFKASA-N 0 1 298.314 2.400 20 5 CEBDMN CCCCCN1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000298074874 395351389 /nfs/dbraw/zinc/35/13/89/395351389.db2.gz LHGLSGHXRMLRPC-UHFFFAOYSA-N 0 1 278.356 2.302 20 5 CEBDMN Cc1c(CN[C@@H]2CCc3c2cccc3[N+](=O)[O-])cnn1C ZINC000566475113 395528814 /nfs/dbraw/zinc/52/88/14/395528814.db2.gz KBBATUSNUFUYLO-CQSZACIVSA-N 0 1 286.335 2.414 20 5 CEBDMN Cc1[nH]nc(C(=O)N2CC[C@@H]3CCCC[C@@H]32)c1[N+](=O)[O-] ZINC000568093810 395547938 /nfs/dbraw/zinc/54/79/38/395547938.db2.gz OPVRFJRBUXDQNM-UWVGGRQHSA-N 0 1 278.312 2.031 20 5 CEBDMN CO[C@@H]1CN([C@@H](C)c2ccccc2[N+](=O)[O-])C[C@H]1OC ZINC000331107402 285772018 /nfs/dbraw/zinc/77/20/18/285772018.db2.gz JKDJISQZIWNGIL-ZLKJLUDKSA-N 0 1 280.324 2.001 20 5 CEBDMN CCN(CC(=O)NCc1cccc([N+](=O)[O-])c1C)C1CC1 ZINC000360527023 155319511 /nfs/dbraw/zinc/31/95/11/155319511.db2.gz IBWPSMBXMNJHJQ-UHFFFAOYSA-N 0 1 291.351 2.004 20 5 CEBDMN Cc1ccc([C@@H](C)N[C@H](C)C(=O)NC(C)C)cc1[N+](=O)[O-] ZINC000228938640 153371793 /nfs/dbraw/zinc/37/17/93/153371793.db2.gz JPIDIDMPCWSNEW-VXGBXAGGSA-N 0 1 293.367 2.467 20 5 CEBDMN C[C@]1(O)CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000230378823 153392789 /nfs/dbraw/zinc/39/27/89/153392789.db2.gz LHKVGRZPVDITHH-AWEZNQCLSA-N 0 1 264.325 2.332 20 5 CEBDMN COc1cc(CN(C)[C@@H]2CCC[C@@H]2O)c([N+](=O)[O-])cc1F ZINC000352669030 154324086 /nfs/dbraw/zinc/32/40/86/154324086.db2.gz WSVGVSAENISKCP-YPMHNXCESA-N 0 1 298.314 2.088 20 5 CEBDMN Cc1[nH]nc(C(=O)N2CCC(C)(C3CC3)CC2)c1[N+](=O)[O-] ZINC000359480915 155027097 /nfs/dbraw/zinc/02/70/97/155027097.db2.gz MDBJXYRWFDPDDW-UHFFFAOYSA-N 0 1 292.339 2.279 20 5 CEBDMN Cc1cc([C@@H]2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)cs1 ZINC000375377596 157088047 /nfs/dbraw/zinc/08/80/47/157088047.db2.gz GKYIZYXUFBCRRY-JLLWLGSASA-N 0 1 280.349 2.038 20 5 CEBDMN CCC[N@@H+](CC(=O)[O-])Cc1cccc([N+](=O)[O-])c1C ZINC000038021966 174001806 /nfs/dbraw/zinc/00/18/06/174001806.db2.gz AFVKXOUPVQDFBK-UHFFFAOYSA-N 0 1 266.297 2.200 20 5 CEBDMN O=[N+]([O-])c1ccccc1C=CCN1CC[C@H](c2nnc[nH]2)C1 ZINC000425358694 264070220 /nfs/dbraw/zinc/07/02/20/264070220.db2.gz RCCMEWCAEGUCGL-DXTPNHAXSA-N 0 1 299.334 2.216 20 5 CEBDMN COc1cc([N+](=O)[O-])ccc1CN1CCCC[C@@H]1[C@H](C)O ZINC000430219850 271362943 /nfs/dbraw/zinc/36/29/43/271362943.db2.gz NZZDXMDQTAKUKU-SMDDNHRTSA-N 0 1 294.351 2.339 20 5 CEBDMN COC[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000430245047 271367356 /nfs/dbraw/zinc/36/73/56/271367356.db2.gz ZTCGDJZETTWNLE-GFCCVEGCSA-N 0 1 294.351 2.462 20 5 CEBDMN Cc1ccc([C@@H](C)NCC(=O)N2CCCC2)cc1[N+](=O)[O-] ZINC000135741807 274756377 /nfs/dbraw/zinc/75/63/77/274756377.db2.gz HVXXLCWOCMLBDG-GFCCVEGCSA-N 0 1 291.351 2.176 20 5 CEBDMN C[C@@H]1Cc2ccccc2CN1CCn1ccc([N+](=O)[O-])n1 ZINC000176262809 279017107 /nfs/dbraw/zinc/01/71/07/279017107.db2.gz RIHDYLCUAQGXLZ-GFCCVEGCSA-N 0 1 286.335 2.238 20 5 CEBDMN Cc1cc(C(=O)N2CCN(C)CC[C@H]2C)ccc1[N+](=O)[O-] ZINC000354006855 280329227 /nfs/dbraw/zinc/32/92/27/280329227.db2.gz OBFHBXMUTXAWQU-GFCCVEGCSA-N 0 1 291.351 2.069 20 5 CEBDMN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(C)CC[C@@H]1C ZINC000354009192 281016218 /nfs/dbraw/zinc/01/62/18/281016218.db2.gz UPTCKYHRHXNVMP-LBPRGKRZSA-N 0 1 291.351 2.069 20 5 CEBDMN COC(=O)CC1(NCc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000580777218 322343429 /nfs/dbraw/zinc/34/34/29/322343429.db2.gz MQKBQQHLVYTNQV-UHFFFAOYSA-N 0 1 298.726 2.434 20 5 CEBDMN COc1cc(CN2CCC[C@@H](CO)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000412093955 533805439 /nfs/dbraw/zinc/80/54/39/533805439.db2.gz SAPDEDVMLOIXFX-AAEUAGOBSA-N 0 1 294.351 2.196 20 5 CEBDMN CC[C@H](C)N(C)CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000068449951 523915027 /nfs/dbraw/zinc/91/50/27/523915027.db2.gz KBKOYQCWYIWUOB-JTQLQIEISA-N 0 1 295.339 2.272 20 5 CEBDMN O=C([C@H]1CC1[N+](=O)[O-])N1CC(Cc2ccccc2Cl)C1 ZINC000374548004 526563071 /nfs/dbraw/zinc/56/30/71/526563071.db2.gz ISJFCXQREFCKSC-AAEUAGOBSA-N 0 1 294.738 2.006 20 5 CEBDMN CC[N@H+](CCC(=O)[O-])Cc1c(F)cccc1[N+](=O)[O-] ZINC000737096932 574809580 /nfs/dbraw/zinc/80/95/80/574809580.db2.gz UOESZUDPIUYZDV-UHFFFAOYSA-N 0 1 270.260 2.031 20 5 CEBDMN CC[N@@H+](CCC(=O)[O-])Cc1c(F)cccc1[N+](=O)[O-] ZINC000737096932 574809583 /nfs/dbraw/zinc/80/95/83/574809583.db2.gz UOESZUDPIUYZDV-UHFFFAOYSA-N 0 1 270.260 2.031 20 5 CEBDMN CC[N@@H+](CC(=O)[O-])Cc1cc([N+](=O)[O-])ccc1Cl ZINC000737075235 574807542 /nfs/dbraw/zinc/80/75/42/574807542.db2.gz NPYBRFVVTLFJLY-UHFFFAOYSA-N 0 1 272.688 2.155 20 5 CEBDMN Nc1ccc(C(=O)Nc2ccc3nc[nH]c3c2)cc1[N+](=O)[O-] ZINC000743940995 575111537 /nfs/dbraw/zinc/11/15/37/575111537.db2.gz OYJFQFZGUDTCJT-UHFFFAOYSA-N 0 1 297.274 2.306 20 5 CEBDMN Cc1cc(N(Cc2ccccc2[N+](=O)[O-])C2CC2)nc(N)n1 ZINC000746712044 575163327 /nfs/dbraw/zinc/16/33/27/575163327.db2.gz CLRXVTDKGIYJTM-UHFFFAOYSA-N 0 1 299.334 2.444 20 5 CEBDMN CN(Cc1ccoc1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000749686179 575229390 /nfs/dbraw/zinc/22/93/90/575229390.db2.gz FWHDLRRZGHWVQA-CQSZACIVSA-N 0 1 276.292 2.353 20 5 CEBDMN CN(C[C@@H](O)c1cccc([N+](=O)[O-])c1)C[C@@H]1CCCCO1 ZINC000750041105 575244667 /nfs/dbraw/zinc/24/46/67/575244667.db2.gz RLODYRNMEOBTSI-LSDHHAIUSA-N 0 1 294.351 2.129 20 5 CEBDMN O=[N+]([O-])c1ccc(F)cc1CN1CCc2cn[nH]c2C1 ZINC000750720775 575272839 /nfs/dbraw/zinc/27/28/39/575272839.db2.gz SBJXNGMNKBJSGT-UHFFFAOYSA-N 0 1 276.271 2.015 20 5 CEBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[C@@H]1CO ZINC000934015686 624165919 /nfs/dbraw/zinc/16/59/19/624165919.db2.gz GFMNWTKIJLEKQX-CMPLNLGQSA-N 0 1 250.298 2.031 20 5 CEBDMN Cc1c(CNC2COC(C)(C)OC2)cccc1[N+](=O)[O-] ZINC000235813613 625755289 /nfs/dbraw/zinc/75/52/89/625755289.db2.gz GZBVSIYIORXUJB-UHFFFAOYSA-N 0 1 280.324 2.144 20 5 CEBDMN CC(C)C1CN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000795546803 629603277 /nfs/dbraw/zinc/60/32/77/629603277.db2.gz OPHZQIMTSYDRLD-AWEZNQCLSA-N 0 1 264.325 2.216 20 5 CEBDMN CCO[C@@H]1CCC[C@H]1OC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000797154334 630154995 /nfs/dbraw/zinc/15/49/95/630154995.db2.gz JHKVHFFSKDQOLP-NXEZZACHSA-N 0 1 268.269 2.037 20 5 CEBDMN CCC(N)=NOCc1ccc([N+](=O)[O-])cc1OC ZINC000797422343 630233177 /nfs/dbraw/zinc/23/31/77/630233177.db2.gz VWEHSRQRKRBYSK-UHFFFAOYSA-N 0 1 253.258 2.012 20 5 CEBDMN CO[C@]12CCC[C@@]1(NCc1ccc([N+](=O)[O-])cc1)CCO2 ZINC000896415491 630558743 /nfs/dbraw/zinc/55/87/43/630558743.db2.gz NDFIOSQFPSKDGM-CABCVRRESA-N 0 1 292.335 2.370 20 5 CEBDMN CC(C)[C@H](C(=O)OCc1cc(F)ccc1[N+](=O)[O-])N(C)C ZINC000798821695 630934911 /nfs/dbraw/zinc/93/49/11/630934911.db2.gz KCWJSFKGWDFEGJ-CYBMUJFWSA-N 0 1 298.314 2.363 20 5 CEBDMN C[C@H]1C[C@@H](NCCc2ccccc2[N+](=O)[O-])c2ncnn21 ZINC000925151951 631091823 /nfs/dbraw/zinc/09/18/23/631091823.db2.gz FWLBHTOMPIZWHM-CMPLNLGQSA-N 0 1 287.323 2.024 20 5 CEBDMN O=C(OC[C@H]1CCCCS1)c1ccc([N+](=O)[O-])[nH]1 ZINC000802926164 631484955 /nfs/dbraw/zinc/48/49/55/631484955.db2.gz NQPDAQYXWQSOPW-MRVPVSSYSA-N 0 1 270.310 2.365 20 5 CEBDMN O=[N+]([O-])c1cccc([N+](=O)[O-])c1NCCN1CCCC1 ZINC000804329771 631664377 /nfs/dbraw/zinc/66/43/77/631664377.db2.gz VZMNFCWQKFBBSO-UHFFFAOYSA-N 0 1 280.284 2.011 20 5 CEBDMN Cc1nc([C@@H](C)OC(=O)c2cc([N+](=O)[O-])c(C)s2)n[nH]1 ZINC000840198730 632206271 /nfs/dbraw/zinc/20/62/71/632206271.db2.gz CLKPBJJCGQVDQR-RXMQYKEDSA-N 0 1 296.308 2.309 20 5 CEBDMN CCC1(C)CN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000812312755 632506330 /nfs/dbraw/zinc/50/63/30/632506330.db2.gz FUUYVRQMKMWPAK-CYBMUJFWSA-N 0 1 264.325 2.360 20 5 CEBDMN Cc1cc(C)c([N+](=O)[O-])c(=NOCCOC(C)C)[nH]1 ZINC000812488803 632535565 /nfs/dbraw/zinc/53/55/65/632535565.db2.gz MSRGPTGAEHUXGS-UHFFFAOYSA-N 0 1 269.301 2.375 20 5 CEBDMN CC[N@@H+](CC(=O)[O-])Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000901426096 634105349 /nfs/dbraw/zinc/10/53/49/634105349.db2.gz ARXHQMNYIOIJSN-UHFFFAOYSA-N 0 1 272.688 2.155 20 5 CEBDMN O=[N+]([O-])CCN[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F ZINC000905083306 635798269 /nfs/dbraw/zinc/79/82/69/635798269.db2.gz VRIARIDGPGABBV-MWLCHTKSSA-N 0 1 274.242 2.428 20 5 CEBDMN C[C@@H]1CCc2c(F)cccc2[C@@H]1NCC[N+](=O)[O-] ZINC000905156235 635832409 /nfs/dbraw/zinc/83/24/09/635832409.db2.gz XZNCJBXUOGMLDC-NOZJJQNGSA-N 0 1 252.289 2.315 20 5 CEBDMN Cc1cc(N[C@H]2CC[N@@H+](C)[C@H]2C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000910355077 638025858 /nfs/dbraw/zinc/02/58/58/638025858.db2.gz GFILNXJXRSTMCF-CABZTGNLSA-N 0 1 293.323 2.106 20 5 CEBDMN CC(C)(C)C[C@H](O)C(=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837592613 639298546 /nfs/dbraw/zinc/29/85/46/639298546.db2.gz PKPJVCDBUQCUII-LBPRGKRZSA-N 0 1 297.307 2.141 20 5 CEBDMN C[C@H]1C[C@H](C(=O)OCc2cc(O)ccc2[N+](=O)[O-])CCO1 ZINC000837617055 639310022 /nfs/dbraw/zinc/31/00/22/639310022.db2.gz UXYBNBUOENFOKN-VHSXEESVSA-N 0 1 295.291 2.159 20 5 CEBDMN O=[N+]([O-])c1cnn(CN2CCC[C@@H]2C2CCC2)c1 ZINC000102885731 639357340 /nfs/dbraw/zinc/35/73/40/639357340.db2.gz TYDUWEFFFXUOED-GFCCVEGCSA-N 0 1 250.302 2.013 20 5 CEBDMN C[C@@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])c1ncc(C(C)(C)C)o1 ZINC000840671273 639521647 /nfs/dbraw/zinc/52/16/47/639521647.db2.gz SYTVIYQJXHKNOL-IWSPIJDZSA-N 0 1 282.296 2.242 20 5 CEBDMN CC(C)Oc1cccc(COC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC000840672274 639521663 /nfs/dbraw/zinc/52/16/63/639521663.db2.gz HDGMMWPVIKXYTG-CHWSQXEVSA-N 0 1 279.292 2.182 20 5 CEBDMN O=C(Nc1ccccc1C(F)(F)F)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000840999476 639611955 /nfs/dbraw/zinc/61/19/55/639611955.db2.gz JBWCBYFYBKXHQK-HZGVNTEJSA-N 0 1 274.198 2.309 20 5 CEBDMN CC[C@H]1CCCC[C@@H]1OCCOC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000842340874 639655314 /nfs/dbraw/zinc/65/53/14/639655314.db2.gz UBKHYCGHFUCOBF-LOWDOPEQSA-N 0 1 285.340 2.180 20 5 CEBDMN C[C@@](N)(C(=O)NC1CC(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000876978314 650516213 /nfs/dbraw/zinc/51/62/13/650516213.db2.gz JNDOHGXFPJQPAS-HNNXBMFYSA-N 0 1 291.351 2.074 20 5 CEBDMN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])[C@@H]1CCC[C@H]1C(C)(C)C ZINC000841451985 639766125 /nfs/dbraw/zinc/76/61/25/639766125.db2.gz CHZGOFOHZYXSJV-DDHJBXDOSA-N 0 1 268.357 2.325 20 5 CEBDMN CN(CC1CC1)Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000172896701 639821268 /nfs/dbraw/zinc/82/12/68/639821268.db2.gz XMVOXWZQPCJKHN-UHFFFAOYSA-N 0 1 287.323 2.153 20 5 CEBDMN O=C(O[C@H](c1ccccc1)c1cccnc1)[C@@H]1CC1[N+](=O)[O-] ZINC000842300979 640003804 /nfs/dbraw/zinc/00/38/04/640003804.db2.gz GPPHOPZVAGHHPD-RBSFLKMASA-N 0 1 298.298 2.379 20 5 CEBDMN CNc1ccc(-c2nc([C@@H](N)C(C)C)no2)cc1[N+](=O)[O-] ZINC000843148306 640307545 /nfs/dbraw/zinc/30/75/45/640307545.db2.gz PHWKIPLJWQBHNS-NSHDSACASA-N 0 1 291.311 2.342 20 5 CEBDMN O=[N+]([O-])c1cnn(C[N@H+]2CCC[C@H]2Cc2ccccc2)c1 ZINC000914566299 640436273 /nfs/dbraw/zinc/43/62/73/640436273.db2.gz WJXYUMWCBGHNLV-AWEZNQCLSA-N 0 1 286.335 2.456 20 5 CEBDMN O=[N+]([O-])c1cnn(CN2CCC[C@H]2Cc2ccccc2)c1 ZINC000914566299 640436278 /nfs/dbraw/zinc/43/62/78/640436278.db2.gz WJXYUMWCBGHNLV-AWEZNQCLSA-N 0 1 286.335 2.456 20 5 CEBDMN CC1(C)CCC[C@H]1[C@@H]1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000843696440 640501265 /nfs/dbraw/zinc/50/12/65/640501265.db2.gz NWTZERHRRLEMON-FVCCEPFGSA-N 0 1 280.368 2.326 20 5 CEBDMN CSCCN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000194674748 641915994 /nfs/dbraw/zinc/91/59/94/641915994.db2.gz BRNMIVQRPPIGSA-UHFFFAOYSA-N 0 1 281.381 2.080 20 5 CEBDMN CN(C)c1ccnc(CNCc2ccc([N+](=O)[O-])cc2)c1 ZINC000922480829 643083012 /nfs/dbraw/zinc/08/30/12/643083012.db2.gz NYKBAGGFNITZCP-UHFFFAOYSA-N 0 1 286.335 2.346 20 5 CEBDMN C[C@H](O)[C@H]1CCCN1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000852558762 643471397 /nfs/dbraw/zinc/47/13/97/643471397.db2.gz MLXSDSSWTNNVSW-JOYOIKCWSA-N 0 1 268.288 2.079 20 5 CEBDMN COC(=O)N(C)CCN(C)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000852571935 643478076 /nfs/dbraw/zinc/47/80/76/643478076.db2.gz JHBISWUNRGLDBZ-LLVKDONJSA-N 0 1 295.339 2.286 20 5 CEBDMN O=C(N[C@@H]1CCCC12CCCCC2)[C@@H]1CC1[N+](=O)[O-] ZINC000855200756 644273624 /nfs/dbraw/zinc/27/36/24/644273624.db2.gz ITCJUFXOZZBBSK-IJLUTSLNSA-N 0 1 266.341 2.271 20 5 CEBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@H](C2CCCCC2)C1 ZINC000855637061 644418061 /nfs/dbraw/zinc/41/80/61/644418061.db2.gz SMXWHBCCFSLUMI-YNEHKIRRSA-N 0 1 266.341 2.080 20 5 CEBDMN O=C(Nc1ccc(O[C@@H]2CC2(F)F)cc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000856185817 644597083 /nfs/dbraw/zinc/59/70/83/644597083.db2.gz TYDAKBXWZGNRRQ-GMTAPVOTSA-N 0 1 298.245 2.077 20 5 CEBDMN Cc1cc(CC(=O)O[C@H](C)c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000756249083 644620020 /nfs/dbraw/zinc/62/00/20/644620020.db2.gz ASHPDUCRPPOHFX-SNVBAGLBSA-N 0 1 289.291 2.473 20 5 CEBDMN O=C(N[C@@H]1CCc2c1cccc2Cl)[C@@H]1CC1[N+](=O)[O-] ZINC000839571848 644746688 /nfs/dbraw/zinc/74/66/88/644746688.db2.gz JJDUBGDTYSDJAD-YUSALJHKSA-N 0 1 280.711 2.109 20 5 CEBDMN CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])[C@@H](C)c1ccc(F)cc1 ZINC000839684883 644772324 /nfs/dbraw/zinc/77/23/24/644772324.db2.gz CLRQQMWTDYKVQP-ZWKOPEQDSA-N 0 1 280.299 2.400 20 5 CEBDMN CC[C@H](C)[C@H]1CCCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839698540 644776910 /nfs/dbraw/zinc/77/69/10/644776910.db2.gz PSJRTGMVNZXZOB-IRCOFANPSA-N 0 1 254.330 2.079 20 5 CEBDMN C[C@@H]1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])[C@H]2CCCC[C@@H]12 ZINC000839699313 644777032 /nfs/dbraw/zinc/77/70/32/644777032.db2.gz VQWHGSIYVRTXOW-RXGFPQBGSA-N 0 1 266.341 2.079 20 5 CEBDMN O=C(N[C@H]1CC[C@H](Cc2ccccc2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000839732527 644784542 /nfs/dbraw/zinc/78/45/42/644784542.db2.gz FSHRFOFHMBMQKK-LXTVHRRPSA-N 0 1 288.347 2.179 20 5 CEBDMN Cc1oc2ccccc2c1CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839728321 644794430 /nfs/dbraw/zinc/79/44/30/644794430.db2.gz MRZDFRDCHAXEIE-ZYHUDNBSSA-N 0 1 274.276 2.023 20 5 CEBDMN Cc1c(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cccc1-c1ncco1 ZINC000839776265 644812333 /nfs/dbraw/zinc/81/23/33/644812333.db2.gz JZDUVLDOZLQONO-ZYHUDNBSSA-N 0 1 287.275 2.254 20 5 CEBDMN CC[C@@H](N[C@@H](C)C(=O)N(C)OC)c1cccc([N+](=O)[O-])c1 ZINC000858578819 645208030 /nfs/dbraw/zinc/20/80/30/645208030.db2.gz MITXJCNHLIGHQS-GXFFZTMASA-N 0 1 295.339 2.044 20 5 CEBDMN C[C@@H]1CN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCS1 ZINC000776581752 647073442 /nfs/dbraw/zinc/07/34/42/647073442.db2.gz LQSCDFRQKPYJJT-ZWNOBZJWSA-N 0 1 282.365 2.066 20 5 CEBDMN CC[C@H](C)CCNC(=O)[C@@](C)(N)c1cccc([N+](=O)[O-])c1 ZINC000867984679 648010851 /nfs/dbraw/zinc/01/08/51/648010851.db2.gz QZOZLHNPSTWGBG-NHYWBVRUSA-N 0 1 293.367 2.321 20 5 CEBDMN O=[N+]([O-])c1ccnn1CN(CC1CC1)CC1CCC1 ZINC000794710039 648905148 /nfs/dbraw/zinc/90/51/48/648905148.db2.gz IIZCUURWWRHIPM-UHFFFAOYSA-N 0 1 264.329 2.261 20 5 CEBDMN Cc1ccc([N+](=O)[O-])c(C)c1CNc1n[nH]c(N(C)C)n1 ZINC000873124053 649563398 /nfs/dbraw/zinc/56/33/98/649563398.db2.gz ANCNYXUXPVPDIQ-UHFFFAOYSA-N 0 1 290.327 2.008 20 5 CEBDMN C=C/C=C\CCN1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000878696073 651166985 /nfs/dbraw/zinc/16/69/85/651166985.db2.gz UANNRTXHQXADEU-ARJAWSKDSA-N 0 1 288.351 2.244 20 5 CEBDMN COc1ccc([N+](=O)[O-])cc1CN1CC[C@@H](CF)C1 ZINC000880292237 651416180 /nfs/dbraw/zinc/41/61/80/651416180.db2.gz VYTFJZFVVNQVRP-JTQLQIEISA-N 0 1 268.288 2.395 20 5 CEBDMN Cc1nc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)oc1C ZINC001167297039 802653244 /nfs/dbraw/zinc/65/32/44/802653244.db2.gz HFQULIVZBMKLLU-UHFFFAOYSA-N 0 1 277.236 2.158 20 5 CEBDMN COC(=O)c1nsnc1Nc1cccc([N+](=O)[O-])c1F ZINC001210381804 802677251 /nfs/dbraw/zinc/67/72/51/802677251.db2.gz PRVWWDLQONAKIG-UHFFFAOYSA-N 0 1 298.255 2.116 20 5 CEBDMN C/C=C(\C)C(=O)N(C)CCNCc1ccccc1[N+](=O)[O-] ZINC001266671523 802829042 /nfs/dbraw/zinc/82/90/42/802829042.db2.gz SJPAFTQCLHZBMW-UUILKARUSA-N 0 1 291.351 2.109 20 5 CEBDMN CC(C)(O)[C@H]1CC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000721787753 805417412 /nfs/dbraw/zinc/41/74/12/805417412.db2.gz JCIUKGQLPYXKRZ-NSHDSACASA-N 0 1 282.315 2.327 20 5 CEBDMN CC(C)(O)[C@H]1CCN(Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000721787753 805417420 /nfs/dbraw/zinc/41/74/20/805417420.db2.gz JCIUKGQLPYXKRZ-NSHDSACASA-N 0 1 282.315 2.327 20 5 CEBDMN C[C@@H](NC[C@@](C)(O)C(F)F)c1ccccc1[N+](=O)[O-] ZINC000698567945 807247602 /nfs/dbraw/zinc/24/76/02/807247602.db2.gz DKEGLAPJSYVXRA-PRHODGIISA-N 0 1 274.267 2.262 20 5 CEBDMN CC/C=C(/C)C(=O)NCCNCc1ccccc1[N+](=O)[O-] ZINC001124345429 808176750 /nfs/dbraw/zinc/17/67/50/808176750.db2.gz WFZLKGCVNPFOHS-SDQBBNPISA-N 0 1 291.351 2.157 20 5 CEBDMN CC(C)CCC(=O)NCCNCc1ccccc1[N+](=O)[O-] ZINC001123228442 815490874 /nfs/dbraw/zinc/49/08/74/815490874.db2.gz QJYJOONHMIHBLK-UHFFFAOYSA-N 0 1 293.367 2.237 20 5 CEBDMN CC[C@@](N)(CO)Nc1ccc([N+](=O)[O-])c2ccccc12 ZINC001170864963 813561323 /nfs/dbraw/zinc/56/13/23/813561323.db2.gz BAAZXHMHRKWYJM-AWEZNQCLSA-N 0 1 275.308 2.217 20 5 CEBDMN CCN1CC[C@H]1CNc1cc(OC)c([N+](=O)[O-])cc1F ZINC000712548463 814765829 /nfs/dbraw/zinc/76/58/29/814765829.db2.gz MTWPQIRXKLCAOR-VIFPVBQESA-N 0 1 283.303 2.249 20 5 CEBDMN C[C@H](Cc1ccc([N+](=O)[O-])cc1)NCC(=O)c1cccnc1 ZINC001173219618 815624588 /nfs/dbraw/zinc/62/45/88/815624588.db2.gz OJYDGZQSSMEHPN-GFCCVEGCSA-N 0 1 299.330 2.393 20 5 CEBDMN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)n1ccnc1CN ZINC001173210849 815635615 /nfs/dbraw/zinc/63/56/15/815635615.db2.gz OXXCRZHXUVWRJD-JTQLQIEISA-N 0 1 260.297 2.054 20 5 CEBDMN Cc1ccc([C@@H](C)N[C@H](C)C(=O)N(C)C)cc1[N+](=O)[O-] ZINC000036793830 361858188 /nfs/dbraw/zinc/85/81/88/361858188.db2.gz TVGQGTYRBGLZDJ-GHMZBOCLSA-N 0 1 279.340 2.031 20 5 CEBDMN CC[C@H](C)[N@@H+](CC(=O)[O-])Cc1ccc([N+](=O)[O-])cc1 ZINC000037654591 361919523 /nfs/dbraw/zinc/91/95/23/361919523.db2.gz FYEFBGPIGLXSAT-JTQLQIEISA-N 0 1 266.297 2.280 20 5 CEBDMN CCN(CCO)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000037900113 361960859 /nfs/dbraw/zinc/96/08/59/361960859.db2.gz MLQYORPQUOVKOB-UHFFFAOYSA-N 0 1 258.705 2.062 20 5 CEBDMN O=[N+]([O-])c1ccc(CNCc2n[nH]c(C3CC3)n2)c(F)c1 ZINC000449404667 282223357 /nfs/dbraw/zinc/22/33/57/282223357.db2.gz DNAAQXYZEVDCER-UHFFFAOYSA-N 0 1 291.286 2.019 20 5 CEBDMN Cc1ccc([N+](=O)[O-])cc1-n1[nH]c(C2CC2)cc1=O ZINC000601934991 346931463 /nfs/dbraw/zinc/93/14/63/346931463.db2.gz GJCYFIGNDAEGAW-UHFFFAOYSA-N 0 1 259.265 2.406 20 5 CEBDMN CCC(C)(C)NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000046334586 362180847 /nfs/dbraw/zinc/18/08/47/362180847.db2.gz ARVCEXGRLQKHAE-UHFFFAOYSA-N 0 1 276.296 2.390 20 5 CEBDMN CNC(=O)[C@H](CC(C)C)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000037160619 343425368 /nfs/dbraw/zinc/42/53/68/343425368.db2.gz NEKQHJFJIJSCDK-RISCZKNCSA-N 0 1 293.367 2.406 20 5 CEBDMN Cc1[nH]ncc1CN(C)C(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000602173612 346987535 /nfs/dbraw/zinc/98/75/35/346987535.db2.gz PYBKAPAPDSXWIX-UHFFFAOYSA-N 0 1 288.307 2.207 20 5 CEBDMN CCO[C@@H]1CCCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000076403491 343889268 /nfs/dbraw/zinc/88/92/68/343889268.db2.gz KSURZMWHENJDKC-CYBMUJFWSA-N 0 1 294.351 2.475 20 5 CEBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCCCC[C@H]1c1ccco1 ZINC000076510075 343891760 /nfs/dbraw/zinc/89/17/60/343891760.db2.gz JWIMFSAEFCAMLH-WOPDTQHZSA-N 0 1 278.308 2.389 20 5 CEBDMN C[N@@H+](Cc1cc([O-])ccc1[N+](=O)[O-])CC1(O)CCCC1 ZINC000093502967 344226251 /nfs/dbraw/zinc/22/62/51/344226251.db2.gz VDODKGZQVQXXAL-UHFFFAOYSA-N 0 1 280.324 2.037 20 5 CEBDMN CN(Cc1nccs1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000093582065 344227441 /nfs/dbraw/zinc/22/74/41/344227441.db2.gz CXYKFZHHVUPMMU-UHFFFAOYSA-N 0 1 279.321 2.389 20 5 CEBDMN CC(C)C1CCN(Cc2cn(C)nc2[N+](=O)[O-])CC1 ZINC000602478137 347052184 /nfs/dbraw/zinc/05/21/84/347052184.db2.gz VDTKKJIGYSJFQZ-UHFFFAOYSA-N 0 1 266.345 2.196 20 5 CEBDMN O=[N+]([O-])c1cc(Cl)c(NCc2nn[n-]n2)c(Cl)c1 ZINC000228849785 344564120 /nfs/dbraw/zinc/56/41/20/344564120.db2.gz KRIIHMPTSNAILL-UHFFFAOYSA-N 0 1 289.082 2.027 20 5 CEBDMN O=[N+]([O-])c1cc(Cl)c(NCc2nn[nH]n2)c(Cl)c1 ZINC000228849785 344564122 /nfs/dbraw/zinc/56/41/22/344564122.db2.gz KRIIHMPTSNAILL-UHFFFAOYSA-N 0 1 289.082 2.027 20 5 CEBDMN O=[N+]([O-])c1ccc(CN2CCCCC[C@H]2CO)c(F)c1 ZINC000313496358 344742871 /nfs/dbraw/zinc/74/28/71/344742871.db2.gz JWVQDVFFPIHXHZ-ZDUSSCGKSA-N 0 1 282.315 2.471 20 5 CEBDMN Cc1sc(C(=O)N2CCNC[C@@H]2C(C)C)cc1[N+](=O)[O-] ZINC000602525522 347066886 /nfs/dbraw/zinc/06/68/86/347066886.db2.gz CQZRTAODHFNAKQ-LLVKDONJSA-N 0 1 297.380 2.035 20 5 CEBDMN COC(=O)[C@@H]1CCC[C@@H]1NCc1csc([N+](=O)[O-])c1 ZINC000590657723 345156255 /nfs/dbraw/zinc/15/62/55/345156255.db2.gz OZEBOLGTDSJNQY-ZJUUUORDSA-N 0 1 284.337 2.088 20 5 CEBDMN C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C[C@H]1COCCO1 ZINC000590684669 345160260 /nfs/dbraw/zinc/16/02/60/345160260.db2.gz OZAMHUONFMRNIV-FZMZJTMJSA-N 0 1 280.324 2.003 20 5 CEBDMN CC[C@H]1CN(Cc2cc(O)ccc2[N+](=O)[O-])[C@H](C)CO1 ZINC000593061405 345430559 /nfs/dbraw/zinc/43/05/59/345430559.db2.gz KGPYSDDAGQKOJY-MFKMUULPSA-N 0 1 280.324 2.300 20 5 CEBDMN CCCN(C(=O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCN(C)C1 ZINC000592833323 345402408 /nfs/dbraw/zinc/40/24/08/345402408.db2.gz YNNWBEZSTNBHGG-CQSZACIVSA-N 0 1 291.351 2.151 20 5 CEBDMN CC[C@@H](C(=O)[O-])[N@@H+](C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000593288557 345462591 /nfs/dbraw/zinc/46/25/91/345462591.db2.gz MLIAVDBBNKUQBY-JTQLQIEISA-N 0 1 270.260 2.029 20 5 CEBDMN Cc1ccc(C[N@H+](CC(=O)[O-])CC2CC2)cc1[N+](=O)[O-] ZINC000593333463 345468174 /nfs/dbraw/zinc/46/81/74/345468174.db2.gz RPGZAORMMBWJOF-UHFFFAOYSA-N 0 1 278.308 2.200 20 5 CEBDMN C[C@@H]1CCC[N@H+]1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000593736389 345530490 /nfs/dbraw/zinc/53/04/90/345530490.db2.gz LRASEERIDDEPDQ-SECBINFHSA-N 0 1 264.281 2.277 20 5 CEBDMN C[N@@H+](CCc1ccccc1[N+](=O)[O-])CC1(CC(=O)[O-])CC1 ZINC000595280100 345753295 /nfs/dbraw/zinc/75/32/95/345753295.db2.gz WXULUKBETGCQGC-UHFFFAOYSA-N 0 1 292.335 2.324 20 5 CEBDMN Cc1noc(CN2C[C@@H](C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000595293066 345755735 /nfs/dbraw/zinc/75/57/35/345755735.db2.gz XIQDVBFIWRHCNH-IUCAKERBSA-N 0 1 253.302 2.369 20 5 CEBDMN COC[C@H](C)N[C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595006611 345725171 /nfs/dbraw/zinc/72/51/71/345725171.db2.gz MBUYIVSXOAMMBT-VHSXEESVSA-N 0 1 268.313 2.289 20 5 CEBDMN Cc1noc(CN2CC[C@@H](c3cccnc3)C2)c1[N+](=O)[O-] ZINC000595563138 345814716 /nfs/dbraw/zinc/81/47/16/345814716.db2.gz ODKDPNKLYDSWTA-GFCCVEGCSA-N 0 1 288.307 2.276 20 5 CEBDMN CC[C@]1(CO)CCCN1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595461589 345788740 /nfs/dbraw/zinc/78/87/40/345788740.db2.gz XOYJPACHTZLLMN-CQSZACIVSA-N 0 1 282.315 2.471 20 5 CEBDMN COC[C@@H](NCc1ccc(F)cc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000595467538 345790623 /nfs/dbraw/zinc/79/06/23/345790623.db2.gz MVXRQXZJTSVNOV-OCCSQVGLSA-N 0 1 298.314 2.018 20 5 CEBDMN COC[C@H]1CCCN(Cc2onc(C)c2[N+](=O)[O-])CC1 ZINC000595522220 345803552 /nfs/dbraw/zinc/80/35/52/345803552.db2.gz JPMSGGDPJRPFFM-NSHDSACASA-N 0 1 283.328 2.140 20 5 CEBDMN Cc1ccc2c(c1)CN(CCn1cc([N+](=O)[O-])cn1)CC2 ZINC000595657180 345839219 /nfs/dbraw/zinc/83/92/19/345839219.db2.gz KAAXNEUTTUVZMV-UHFFFAOYSA-N 0 1 286.335 2.158 20 5 CEBDMN COc1ccc(CN2C[C@@H](C)[C@H](O)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000595749891 345865851 /nfs/dbraw/zinc/86/58/51/345865851.db2.gz NSLPMHTUPUFOKL-HBYGRHMLSA-N 0 1 294.351 2.052 20 5 CEBDMN C[C@@]12COC[C@@H]1CN(Cc1ccc(F)cc1[N+](=O)[O-])C2 ZINC000595767772 345872112 /nfs/dbraw/zinc/87/21/12/345872112.db2.gz OJOWURIWQOJOMY-SMDDNHRTSA-N 0 1 280.299 2.202 20 5 CEBDMN O=[N+]([O-])c1cccc(F)c1CN[C@H]1C[C@H](O)C12CCC2 ZINC000595777664 345874691 /nfs/dbraw/zinc/87/46/91/345874691.db2.gz IVSURCFISSLCOJ-STQMWFEESA-N 0 1 280.299 2.127 20 5 CEBDMN COc1cc([N+](=O)[O-])ccc1CN1C[C@@H](C)[C@@](C)(CO)C1 ZINC000595860125 345900304 /nfs/dbraw/zinc/90/03/04/345900304.db2.gz HILKIHIZHFFUNN-IAQYHMDHSA-N 0 1 294.351 2.054 20 5 CEBDMN CC[N@@H+](Cc1cccc([N+](=O)[O-])c1C)[C@H](C)C(=O)[O-] ZINC000595882398 345905288 /nfs/dbraw/zinc/90/52/88/345905288.db2.gz ITYCAWRCQZOZEM-SNVBAGLBSA-N 0 1 266.297 2.198 20 5 CEBDMN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC2CC1(C)C2 ZINC000595915811 345912770 /nfs/dbraw/zinc/91/27/70/345912770.db2.gz OIPMZYFNTICFHC-NLTNOIMHSA-N 0 1 289.335 2.406 20 5 CEBDMN C[N@@H+](CCNc1cc[nH]c(=O)c1[N+](=O)[O-])C1CCCCC1 ZINC000596090300 345937302 /nfs/dbraw/zinc/93/73/02/345937302.db2.gz ORSNCGCGQFQRAZ-UHFFFAOYSA-N 0 1 294.355 2.372 20 5 CEBDMN COc1cc(N(C)Cc2nnc[nH]2)c(Cl)cc1[N+](=O)[O-] ZINC000596134237 345947430 /nfs/dbraw/zinc/94/74/30/345947430.db2.gz NGNXRYBIVCRKEL-UHFFFAOYSA-N 0 1 297.702 2.011 20 5 CEBDMN Cc1cc(N2CC[C@@H](c3n[nH]c(C)n3)C2)c([N+](=O)[O-])s1 ZINC000596272710 345988123 /nfs/dbraw/zinc/98/81/23/345988123.db2.gz DRIPKWNNWGHAKR-SECBINFHSA-N 0 1 293.352 2.385 20 5 CEBDMN Cc1cc(N2CC[C@@H](c3nnc(C)[nH]3)C2)c([N+](=O)[O-])s1 ZINC000596272710 345988125 /nfs/dbraw/zinc/98/81/25/345988125.db2.gz DRIPKWNNWGHAKR-SECBINFHSA-N 0 1 293.352 2.385 20 5 CEBDMN O=C(Nc1ccc2[nH]nnc2c1)c1csc([N+](=O)[O-])c1 ZINC000176725067 232335560 /nfs/dbraw/zinc/33/55/60/232335560.db2.gz SLHMGQHIFQGDKN-UHFFFAOYSA-N 0 1 289.276 2.180 20 5 CEBDMN COCCC1CN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000597183556 346143710 /nfs/dbraw/zinc/14/37/10/346143710.db2.gz KYUMNSUPRJIMCU-UHFFFAOYSA-N 0 1 250.298 2.063 20 5 CEBDMN O=[N+]([O-])c1ccccc1/C=C/CN1CC[C@@]2(O)C[C@H]2C1 ZINC000597211207 346150224 /nfs/dbraw/zinc/15/02/24/346150224.db2.gz LIWMLPCOEXAYJZ-YQRAZLAVSA-N 0 1 274.320 2.065 20 5 CEBDMN Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H]2COC[C@H]2C1 ZINC000597231105 346156141 /nfs/dbraw/zinc/15/61/41/346156141.db2.gz NNYLBEHMMNYRHU-UONOGXRCSA-N 0 1 276.336 2.372 20 5 CEBDMN CC(C)c1[nH]nc(C(=O)N2C[C@@H]3CCCC[C@@H]32)c1[N+](=O)[O-] ZINC000597829533 346237220 /nfs/dbraw/zinc/23/72/20/346237220.db2.gz NRFTVIMLZWRVSP-UWVGGRQHSA-N 0 1 292.339 2.456 20 5 CEBDMN O=C(NC1CCC(C2CCC2)CC1)c1n[nH]cc1[N+](=O)[O-] ZINC000598451753 346358918 /nfs/dbraw/zinc/35/89/18/346358918.db2.gz ZDIRHNLUGCCCRQ-UHFFFAOYSA-N 0 1 292.339 2.407 20 5 CEBDMN C[C@]1(CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)C[C@H]2C[C@H]2C1 ZINC000600492877 346644253 /nfs/dbraw/zinc/64/42/53/346644253.db2.gz NXPPMECFBRRALD-HBYGRHMLSA-N 0 1 290.319 2.466 20 5 CEBDMN CC1(C)[C@@H](O)C[C@@H]1NCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000128452162 187371500 /nfs/dbraw/zinc/37/15/00/187371500.db2.gz ICLRQNOZNREBSR-RYUDHWBXSA-N 0 1 284.743 2.497 20 5 CEBDMN C[C@@H]1CC[C@H](CNCc2nc3cc([N+](=O)[O-])ccc3o2)O1 ZINC000602689545 347148098 /nfs/dbraw/zinc/14/80/98/347148098.db2.gz FGCICKCWNXRFDS-MWLCHTKSSA-N 0 1 291.307 2.393 20 5 CEBDMN CCO[C@H]1C[C@@H](NCc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000602690232 347149079 /nfs/dbraw/zinc/14/90/79/347149079.db2.gz HGGNLZYEZGRGDL-JGZJWPJOSA-N 0 1 291.307 2.393 20 5 CEBDMN C[C@@H]1C[C@H](NCc2nc3cc([N+](=O)[O-])ccc3o2)[C@H](C)O1 ZINC000602733950 347177766 /nfs/dbraw/zinc/17/77/66/347177766.db2.gz GLWJVFOAGZQBOG-YWVKMMECSA-N 0 1 291.307 2.392 20 5 CEBDMN C[C@](CO)(NCCC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000602962674 347258444 /nfs/dbraw/zinc/25/84/44/347258444.db2.gz NMYSBALZLMDCTG-LLVKDONJSA-N 0 1 292.257 2.344 20 5 CEBDMN O=[N+]([O-])c1cccc(CN2CCN(CCCF)CC2)c1 ZINC000610819882 347716568 /nfs/dbraw/zinc/71/65/68/347716568.db2.gz XKWYWNZAQDQAIZ-UHFFFAOYSA-N 0 1 281.331 2.072 20 5 CEBDMN C[C@H]1COCCCN1Cc1ccc([N+](=O)[O-])cc1 ZINC000610990796 347728467 /nfs/dbraw/zinc/72/84/67/347728467.db2.gz NIMOXOMKHAQIMA-NSHDSACASA-N 0 1 250.298 2.206 20 5 CEBDMN O=[N+]([O-])c1ccc(NC2CCN([C@@H]3CCOC3)CC2)s1 ZINC000611165834 347746223 /nfs/dbraw/zinc/74/62/23/347746223.db2.gz ZKZHYDQACGGIIE-LLVKDONJSA-N 0 1 297.380 2.322 20 5 CEBDMN C[C@H]1CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C[C@H]1F ZINC000611559630 347794700 /nfs/dbraw/zinc/79/47/00/347794700.db2.gz SYRXEFNAMZKHFH-QPUJVOFHSA-N 0 1 282.271 2.121 20 5 CEBDMN C[C@H]1CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C[C@@H]1F ZINC000611559631 347794835 /nfs/dbraw/zinc/79/48/35/347794835.db2.gz SYRXEFNAMZKHFH-UFBFGSQYSA-N 0 1 282.271 2.121 20 5 CEBDMN Cc1ccc([C@@H](C)N[C@H]2CCCN(C)C2=O)cc1[N+](=O)[O-] ZINC000351917780 219248802 /nfs/dbraw/zinc/24/88/02/219248802.db2.gz RCYWGOILWJLMTC-YPMHNXCESA-N 0 1 291.351 2.175 20 5 CEBDMN CCN(Cc1c([N+](=O)[O-])ncn1C)[C@@H]1CCOC(C)(C)C1 ZINC000351926634 219250851 /nfs/dbraw/zinc/25/08/51/219250851.db2.gz OWZLAHJGAZEVOE-LLVKDONJSA-N 0 1 296.371 2.108 20 5 CEBDMN C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@@H](n2cncn2)C1 ZINC000614419972 348197891 /nfs/dbraw/zinc/19/78/91/348197891.db2.gz KBJPILPUZAADDN-VXGBXAGGSA-N 0 1 287.323 2.194 20 5 CEBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NC[C@@H](O)C(F)(F)F ZINC000616362968 348487186 /nfs/dbraw/zinc/48/71/86/348487186.db2.gz KDIRTUITARWRTG-LDYMZIIASA-N 0 1 292.257 2.477 20 5 CEBDMN CCN(CC(F)F)C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000273435801 192148435 /nfs/dbraw/zinc/14/84/35/192148435.db2.gz WZJIEKKGAAVYLY-UHFFFAOYSA-N 0 1 290.270 2.169 20 5 CEBDMN CCCN(C)CC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000352183905 219348715 /nfs/dbraw/zinc/34/87/15/219348715.db2.gz KIECVSSTVSZTFQ-UHFFFAOYSA-N 0 1 269.276 2.014 20 5 CEBDMN Cc1ccc(NC(=O)[C@H](C(C)C)N(C)C)cc1[N+](=O)[O-] ZINC000106408553 186114500 /nfs/dbraw/zinc/11/45/00/186114500.db2.gz NXDCMOMYKWSEOQ-ZDUSSCGKSA-N 0 1 279.340 2.428 20 5 CEBDMN CN(CC(=O)Nc1ccccc1[N+](=O)[O-])CC1CCC1 ZINC000111298165 186391713 /nfs/dbraw/zinc/39/17/13/186391713.db2.gz RUBUPBCINFDBAP-UHFFFAOYSA-N 0 1 277.324 2.265 20 5 CEBDMN CCN(Cc1cc([N+](=O)[O-])ccc1OC)C[C@H](C)OC ZINC000291367972 198001473 /nfs/dbraw/zinc/00/14/73/198001473.db2.gz ZPCRGLVDNCDSSV-NSHDSACASA-N 0 1 282.340 2.460 20 5 CEBDMN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC(OCCO)CC1 ZINC000339826986 215354629 /nfs/dbraw/zinc/35/46/29/215354629.db2.gz MICKEDJYKQQTSA-LBPRGKRZSA-N 0 1 294.351 2.129 20 5 CEBDMN CN1CCC[C@@H]1CNc1ncc([N+](=O)[O-])cc1Cl ZINC000122685830 187045830 /nfs/dbraw/zinc/04/58/30/187045830.db2.gz ZIJSAZDMYHYTJC-MRVPVSSYSA-N 0 1 270.720 2.149 20 5 CEBDMN Cc1[nH]ncc1C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000070982457 363107823 /nfs/dbraw/zinc/10/78/23/363107823.db2.gz CVOPKWCZWDLGQQ-UHFFFAOYSA-N 0 1 260.253 2.187 20 5 CEBDMN CN(c1ncc(Cl)cc1[N+](=O)[O-])[C@@H]1CCCN(C)C1 ZINC000153840043 188107523 /nfs/dbraw/zinc/10/75/23/188107523.db2.gz OQMKNTGUKNOSCO-SNVBAGLBSA-N 0 1 284.747 2.174 20 5 CEBDMN O=[N+]([O-])c1ccn(CCN2CCC[C@@H]2c2ccncc2)n1 ZINC000154086034 188122236 /nfs/dbraw/zinc/12/22/36/188122236.db2.gz TYXPBCXQEGEVEO-CYBMUJFWSA-N 0 1 287.323 2.023 20 5 CEBDMN CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2nncs2)c1 ZINC000338410647 366345721 /nfs/dbraw/zinc/34/57/21/366345721.db2.gz RNOBCQUXKFUQKX-UHFFFAOYSA-N 0 1 294.292 2.097 20 5 CEBDMN Cc1cccc([N+](=O)[O-])c1N1C[C@H](C)N(C)[C@@H](C)C1 ZINC000338786861 366522381 /nfs/dbraw/zinc/52/23/81/366522381.db2.gz QFIISZWMFJNVCN-RYUDHWBXSA-N 0 1 263.341 2.432 20 5 CEBDMN CC[C@H](C)[N@@H+](CC(=O)[O-])Cc1ccc([N+](=O)[O-])cc1F ZINC000236963366 370667221 /nfs/dbraw/zinc/66/72/21/370667221.db2.gz PBUSIAYYMUULTG-VIFPVBQESA-N 0 1 284.287 2.419 20 5 CEBDMN COCCCN(C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000177024250 189021627 /nfs/dbraw/zinc/02/16/27/189021627.db2.gz LGEDZMWIDRSKTH-UHFFFAOYSA-N 0 1 279.296 2.204 20 5 CEBDMN Cc1[nH]ncc1CNc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000081599891 363734048 /nfs/dbraw/zinc/73/40/48/363734048.db2.gz GSZIJHLWDADBOF-UHFFFAOYSA-N 0 1 284.279 2.182 20 5 CEBDMN CO[C@@H](C)[C@@H](C)NCc1ccc([N+](=O)[O-])cc1F ZINC000342327515 216311017 /nfs/dbraw/zinc/31/10/17/216311017.db2.gz AXQHCMUUAIKLGO-BDAKNGLRSA-N 0 1 256.277 2.247 20 5 CEBDMN CC(C)CCCNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356501294 370733948 /nfs/dbraw/zinc/73/39/48/370733948.db2.gz HTOHYGWQYLYHSS-UHFFFAOYSA-N 0 1 266.297 2.466 20 5 CEBDMN C[C@@H](C[NH+](C)C)N[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000582191978 366877943 /nfs/dbraw/zinc/87/79/43/366877943.db2.gz SKCUJASBPYXVOQ-GXFFZTMASA-N 0 1 263.341 2.122 20 5 CEBDMN CCN1CCN(Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@H]1C ZINC000586768186 367188261 /nfs/dbraw/zinc/18/82/61/367188261.db2.gz ZCDXVXYRSPECEK-SNVBAGLBSA-N 0 1 299.321 2.399 20 5 CEBDMN C[C@@H]1CCCC[C@@H]1CCNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000343398523 367792289 /nfs/dbraw/zinc/79/22/89/367792289.db2.gz KAHWNACJYJTIDS-NXEZZACHSA-N 0 1 280.328 2.264 20 5 CEBDMN Cc1csc(C(C)(C)NCCn2cc([N+](=O)[O-])cn2)n1 ZINC000174866457 368073611 /nfs/dbraw/zinc/07/36/11/368073611.db2.gz QHFMQAAHZDHYAE-UHFFFAOYSA-N 0 1 295.368 2.081 20 5 CEBDMN CC(C)[C@H](C)NC(=O)CN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180427036 368381793 /nfs/dbraw/zinc/38/17/93/368381793.db2.gz PQJSUMGAAUVKSA-NWDGAFQWSA-N 0 1 293.367 2.406 20 5 CEBDMN CCCCNC(=O)CN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000181816332 368497174 /nfs/dbraw/zinc/49/71/74/368497174.db2.gz HKCCOIKZIKTUFH-LBPRGKRZSA-N 0 1 293.367 2.470 20 5 CEBDMN CCN1C[C@H](C)N(C(=O)c2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000346767179 368789498 /nfs/dbraw/zinc/78/94/98/368789498.db2.gz ICHYBQHXXXEYEL-RYUDHWBXSA-N 0 1 291.351 2.150 20 5 CEBDMN COc1ccc(CNC(C)(C)CF)cc1[N+](=O)[O-] ZINC000349824599 369412080 /nfs/dbraw/zinc/41/20/80/369412080.db2.gz ZRBXHZLXFYOUCC-UHFFFAOYSA-N 0 1 256.277 2.441 20 5 CEBDMN O=[N+]([O-])c1ccc(-c2noc([C@@H]3C[C@@H]3c3nc[nH]n3)n2)cc1 ZINC000349887051 369438563 /nfs/dbraw/zinc/43/85/63/369438563.db2.gz FNIDGQMKGDTVTP-VHSXEESVSA-N 0 1 298.262 2.034 20 5 CEBDMN CO[C@H]1CN(Cc2ccccc2[N+](=O)[O-])CC[C@@H]1C ZINC000189285006 369489470 /nfs/dbraw/zinc/48/94/70/369489470.db2.gz HIOFTXZJUYPNJA-FZMZJTMJSA-N 0 1 264.325 2.452 20 5 CEBDMN COc1cc(CN(C)CCOCC2CC2)ccc1[N+](=O)[O-] ZINC000352555245 369784860 /nfs/dbraw/zinc/78/48/60/369784860.db2.gz KVWXAEJHVBLWFZ-UHFFFAOYSA-N 0 1 294.351 2.462 20 5 CEBDMN Cc1nc([C@@H](C)N2CCc3ccc([N+](=O)[O-])cc3C2)n[nH]1 ZINC000331930033 204304861 /nfs/dbraw/zinc/30/48/61/204304861.db2.gz DTJBYHJEUVPAAX-SECBINFHSA-N 0 1 287.323 2.141 20 5 CEBDMN C[C@]1(F)CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000337315189 214001503 /nfs/dbraw/zinc/00/15/03/214001503.db2.gz JBHKPZCMACUTPR-AWEZNQCLSA-N 0 1 295.314 2.357 20 5 CEBDMN C[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1CO ZINC000361652207 372004679 /nfs/dbraw/zinc/00/46/79/372004679.db2.gz FLAWMQLXUXXJQD-GXSJLCMTSA-N 0 1 284.743 2.308 20 5 CEBDMN Nc1c(C(=O)Nc2ccc3nc[nH]c3c2)cccc1[N+](=O)[O-] ZINC000362996718 372610937 /nfs/dbraw/zinc/61/09/37/372610937.db2.gz LKMOXLMCYVRYLO-UHFFFAOYSA-N 0 1 297.274 2.306 20 5 CEBDMN CC(C)n1cc(CNCCc2ccc([N+](=O)[O-])cc2)nn1 ZINC000289777062 197480242 /nfs/dbraw/zinc/48/02/42/197480242.db2.gz PTDADLSJXJAZOW-UHFFFAOYSA-N 0 1 289.339 2.100 20 5 CEBDMN CCCCN(CCOC)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272581541 373562948 /nfs/dbraw/zinc/56/29/48/373562948.db2.gz UJBFQHZVNQZQEU-UHFFFAOYSA-N 0 1 296.323 2.189 20 5 CEBDMN COC(=O)[C@@H]1CN(Cc2ccccc2[N+](=O)[O-])CC1(C)C ZINC000371152188 373803660 /nfs/dbraw/zinc/80/36/60/373803660.db2.gz UJIQGOVDRQZROR-LBPRGKRZSA-N 0 1 292.335 2.226 20 5 CEBDMN CCN(CC(F)(F)F)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000274698396 374016038 /nfs/dbraw/zinc/01/60/38/374016038.db2.gz TUMQALPKFZAFQK-UHFFFAOYSA-N 0 1 292.213 2.325 20 5 CEBDMN CCOc1cc(CN2C[C@H](O)[C@H](CC)C2)ccc1[N+](=O)[O-] ZINC000276854730 374325702 /nfs/dbraw/zinc/32/57/02/374325702.db2.gz FGJVAUDXQXBKCV-OCCSQVGLSA-N 0 1 294.351 2.196 20 5 CEBDMN CCOc1cc(CN2CCC[C@](C)(O)C2)ccc1[N+](=O)[O-] ZINC000276890476 374336850 /nfs/dbraw/zinc/33/68/50/374336850.db2.gz KAMWAGXPUYWGAO-HNNXBMFYSA-N 0 1 294.351 2.340 20 5 CEBDMN CO[C@@H]1CN([C@@H](C)c2cccc([N+](=O)[O-])c2)C[C@@H]1OC ZINC000276939813 374352728 /nfs/dbraw/zinc/35/27/28/374352728.db2.gz UPYKYWOUPHRKNS-LEWSCRJBSA-N 0 1 280.324 2.001 20 5 CEBDMN O=C(N[C@H]1C[C@H](c2cccc(Cl)c2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000373876558 374438399 /nfs/dbraw/zinc/43/83/99/374438399.db2.gz QGTQKEPWROZIDB-OJAKKHQRSA-N 0 1 294.738 2.367 20 5 CEBDMN COc1cc(CNC2CC(F)(F)C2)c([N+](=O)[O-])cc1O ZINC000277675690 374606131 /nfs/dbraw/zinc/60/61/31/374606131.db2.gz PGTFHGDMYLOZBL-UHFFFAOYSA-N 0 1 288.250 2.196 20 5 CEBDMN O=C([C@H]1CC1[N+](=O)[O-])N1CCCC12CCCCCC2 ZINC000378509760 375117537 /nfs/dbraw/zinc/11/75/37/375117537.db2.gz VRFFQPKSAUWKST-NWDGAFQWSA-N 0 1 266.341 2.367 20 5 CEBDMN O=[N+]([O-])c1ccc(O)cc1CN1CCO[C@H]2CCCC[C@H]21 ZINC000408070503 375401465 /nfs/dbraw/zinc/40/14/65/375401465.db2.gz NMDOZKDVFYKFCM-CABCVRRESA-N 0 1 292.335 2.444 20 5 CEBDMN CN(CCc1cccc([N+](=O)[O-])c1)Cc1ccno1 ZINC000282503605 375501415 /nfs/dbraw/zinc/50/14/15/375501415.db2.gz RDZWCEJBCWPZEF-UHFFFAOYSA-N 0 1 261.281 2.257 20 5 CEBDMN COC(=O)C[C@@H]1CCCN1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000283106413 375657141 /nfs/dbraw/zinc/65/71/41/375657141.db2.gz MBRBYDRNAKDPCS-NSHDSACASA-N 0 1 296.298 2.261 20 5 CEBDMN O=[N+]([O-])c1cccc(F)c1NCCN1CCCC1 ZINC000287019157 376131312 /nfs/dbraw/zinc/13/13/12/376131312.db2.gz QCNGUDSAIMIDCN-UHFFFAOYSA-N 0 1 253.277 2.242 20 5 CEBDMN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CC[C@@H](C)[C@H](O)C1 ZINC000305760143 376476477 /nfs/dbraw/zinc/47/64/77/376476477.db2.gz JKPICXRDPYIFSV-UHIISALHSA-N 0 1 264.325 2.359 20 5 CEBDMN CC1(C)[C@@H](O)CCN1Cc1ccc([N+](=O)[O-])cc1F ZINC000311864443 376691283 /nfs/dbraw/zinc/69/12/83/376691283.db2.gz VSOTXVRLUXACPD-LBPRGKRZSA-N 0 1 268.288 2.079 20 5 CEBDMN COc1cc([N+](=O)[O-])ccc1C[N@H+](CC(=O)[O-])CC(C)C ZINC000563282120 377157231 /nfs/dbraw/zinc/15/72/31/377157231.db2.gz DXVUWCFFCLTNJU-UHFFFAOYSA-N 0 1 296.323 2.146 20 5 CEBDMN CN(CCO)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000292945925 377363406 /nfs/dbraw/zinc/36/34/06/377363406.db2.gz BEXCTYWARAPNPR-UHFFFAOYSA-N 0 1 278.230 2.038 20 5 CEBDMN O=[N+]([O-])c1ccc(CN2C[C@@H]3CC[C@H](O)C[C@@H]3C2)c(F)c1 ZINC000332234392 377548167 /nfs/dbraw/zinc/54/81/67/377548167.db2.gz PLHGXVBLOCOLKE-SUHUHFCYSA-N 0 1 294.326 2.327 20 5 CEBDMN COc1ccc(OCCN2C[C@@H](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000293525723 377609786 /nfs/dbraw/zinc/60/97/86/377609786.db2.gz WLJDMPXEMFQDJW-GHMZBOCLSA-N 0 1 280.324 2.322 20 5 CEBDMN O=[N+]([O-])c1cc(CN2CCC[C@@H]2CCCO)cs1 ZINC000332653100 377654669 /nfs/dbraw/zinc/65/46/69/377654669.db2.gz MRCWNKPSXDSEDG-LLVKDONJSA-N 0 1 270.354 2.393 20 5 CEBDMN CC[C@@H](C)CONC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000293625801 377663504 /nfs/dbraw/zinc/66/35/04/377663504.db2.gz DZXQWVYXJWSQRY-MRVPVSSYSA-N 0 1 292.295 2.179 20 5 CEBDMN O=[N+]([O-])c1cccc2c(N3CCN(C4CC4)CC3)ccnc21 ZINC000432333799 377745983 /nfs/dbraw/zinc/74/59/83/377745983.db2.gz HHKAHNXEFSWUAM-UHFFFAOYSA-N 0 1 298.346 2.427 20 5 CEBDMN CO[C@@H](CNCc1csc([N+](=O)[O-])c1)C(C)C ZINC000266642693 190272988 /nfs/dbraw/zinc/27/29/88/190272988.db2.gz UTSLEUAEXRHLAC-JTQLQIEISA-N 0 1 258.343 2.417 20 5 CEBDMN CCOc1ccc([N+](=O)[O-])cc1CN(C)CC[C@H](C)O ZINC000267031127 190298272 /nfs/dbraw/zinc/29/82/72/190298272.db2.gz MQWJUVLUFWCPBG-NSHDSACASA-N 0 1 282.340 2.196 20 5 CEBDMN COc1ccc(CN2CCC[C@@H](C)[C@H]2CO)cc1[N+](=O)[O-] ZINC000305249080 379696793 /nfs/dbraw/zinc/69/67/93/379696793.db2.gz IRPBTUXIUILYMT-BXUZGUMPSA-N 0 1 294.351 2.196 20 5 CEBDMN COCCN(Cc1cccc([N+](=O)[O-])c1)[C@H]1CCO[C@@H]1C ZINC000489436155 380189408 /nfs/dbraw/zinc/18/94/08/380189408.db2.gz LSXXLMVEGNBTCK-DOMZBBRYSA-N 0 1 294.351 2.221 20 5 CEBDMN CN(Cc1c([N+](=O)[O-])ncn1C)C1(C)CCCC1 ZINC000490150723 380238443 /nfs/dbraw/zinc/23/84/43/380238443.db2.gz DMWUFIBZMLVMGB-UHFFFAOYSA-N 0 1 252.318 2.093 20 5 CEBDMN O=[N+]([O-])c1ccccc1N1CCN(CCCCF)CC1 ZINC000285881175 285163548 /nfs/dbraw/zinc/16/35/48/285163548.db2.gz FQXLAVMPYORXBN-UHFFFAOYSA-N 0 1 281.331 2.467 20 5 CEBDMN CN(CCCO)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000281816284 195392891 /nfs/dbraw/zinc/39/28/91/195392891.db2.gz LKUXPNKOMYPMDJ-UHFFFAOYSA-N 0 1 258.705 2.062 20 5 CEBDMN O=[N+]([O-])c1ccc2ccnc(NCCN3CCC3)c2c1 ZINC000413203281 394503932 /nfs/dbraw/zinc/50/39/32/394503932.db2.gz MLJWCPCICCUQIL-UHFFFAOYSA-N 0 1 272.308 2.261 20 5 CEBDMN Cc1cc(N2CC[C@H](O)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000122239729 394810287 /nfs/dbraw/zinc/81/02/87/394810287.db2.gz FKVUNAONTYXOJR-NSHDSACASA-N 0 1 273.292 2.022 20 5 CEBDMN Cc1ccc([C@@H]2CCCN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)cc1 ZINC000370801247 395013956 /nfs/dbraw/zinc/01/39/56/395013956.db2.gz KIJPIAFVNAIEBH-KFWWJZLASA-N 0 1 288.347 2.366 20 5 CEBDMN CC[C@H](O)CNCc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000291822737 395169110 /nfs/dbraw/zinc/16/91/10/395169110.db2.gz ZIWJLIRPCOFGQR-JTQLQIEISA-N 0 1 290.266 2.057 20 5 CEBDMN CCC1(C)CN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000291859959 395177447 /nfs/dbraw/zinc/17/74/47/395177447.db2.gz KDGIFHCQUOYLDT-CYBMUJFWSA-N 0 1 264.325 2.360 20 5 CEBDMN CC(C)c1[nH]nc(C(=O)N2CCC23CCC3)c1[N+](=O)[O-] ZINC000408399507 395298551 /nfs/dbraw/zinc/29/85/51/395298551.db2.gz IDNKIIQGWLVBEW-UHFFFAOYSA-N 0 1 278.312 2.210 20 5 CEBDMN CC(C)[C@H]1CCCN(Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000444774465 395454644 /nfs/dbraw/zinc/45/46/44/395454644.db2.gz WIIRKFZATHLZEJ-NSHDSACASA-N 0 1 266.345 2.196 20 5 CEBDMN CC[N@@H+](CC(=O)[O-])Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000566015077 395495751 /nfs/dbraw/zinc/49/57/51/395495751.db2.gz HKMOBXSWBJELIU-UHFFFAOYSA-N 0 1 296.323 2.289 20 5 CEBDMN C[C@@H](N(C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C(C)(C)O ZINC000451362911 395610848 /nfs/dbraw/zinc/61/08/48/395610848.db2.gz AMIICXCKUSFQTG-SECBINFHSA-N 0 1 292.339 2.062 20 5 CEBDMN Cc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC000263062128 154012299 /nfs/dbraw/zinc/01/22/99/154012299.db2.gz MWNOIPJQEUFOQX-ZWNOBZJWSA-N 0 1 292.335 2.446 20 5 CEBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCCCC[C@H]1c1ccco1 ZINC000363992177 304395760 /nfs/dbraw/zinc/39/57/60/304395760.db2.gz JWIMFSAEFCAMLH-GRYCIOLGSA-N 0 1 278.308 2.389 20 5 CEBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCCCC[C@@H]1c1ccco1 ZINC000363992178 156059128 /nfs/dbraw/zinc/05/91/28/156059128.db2.gz JWIMFSAEFCAMLH-IJLUTSLNSA-N 0 1 278.308 2.389 20 5 CEBDMN C[C@H]1Cc2ccccc2CN1CCn1cc([N+](=O)[O-])cn1 ZINC000174874729 165117462 /nfs/dbraw/zinc/11/74/62/165117462.db2.gz YCDJIWOGKBKVAZ-LBPRGKRZSA-N 0 1 286.335 2.238 20 5 CEBDMN COC[C@@H](NCc1c(F)cc([N+](=O)[O-])cc1F)C1CC1 ZINC000285538591 196320165 /nfs/dbraw/zinc/32/01/65/196320165.db2.gz HKZHHFRYTUPGQO-CYBMUJFWSA-N 0 1 286.278 2.388 20 5 CEBDMN C[C@H]1CC[C@H](CNCc2csc([N+](=O)[O-])c2)O1 ZINC000398129637 270357282 /nfs/dbraw/zinc/35/72/82/270357282.db2.gz KCQGOHOBVJKWJY-WCBMZHEXSA-N 0 1 256.327 2.313 20 5 CEBDMN CC(C)c1ccc(C(=O)N2CCNC[C@H]2C)cc1[N+](=O)[O-] ZINC000422756477 270754786 /nfs/dbraw/zinc/75/47/86/270754786.db2.gz LOHJNSCQHZDUMN-LLVKDONJSA-N 0 1 291.351 2.152 20 5 CEBDMN COc1cc([N+](=O)[O-])ccc1CN(C)C[C@@H]1CCC[C@@H]1O ZINC000430207697 271363091 /nfs/dbraw/zinc/36/30/91/271363091.db2.gz RIYPLCKAAXHACC-FZMZJTMJSA-N 0 1 294.351 2.196 20 5 CEBDMN O=[N+]([O-])c1ccc2ccnc(N3CCN(C4CC4)CC3)c2c1 ZINC000413081607 275038774 /nfs/dbraw/zinc/03/87/74/275038774.db2.gz FYSHGBRHTDDKGH-UHFFFAOYSA-N 0 1 298.346 2.427 20 5 CEBDMN CC(C)c1[nH]nc(C(=O)N2CC(C3CCC3)C2)c1[N+](=O)[O-] ZINC000341321766 276040525 /nfs/dbraw/zinc/04/05/25/276040525.db2.gz MVRAJCVSGZROQZ-UHFFFAOYSA-N 0 1 292.339 2.313 20 5 CEBDMN CC1(C)C[C@H](NC(=O)[C@H]2CC2[N+](=O)[O-])c2ccccc2O1 ZINC000372016466 276147574 /nfs/dbraw/zinc/14/75/74/276147574.db2.gz FNUZUDLCIKGWSE-SRVKXCTJSA-N 0 1 290.319 2.070 20 5 CEBDMN COc1cccc(N2CCN(CC3CC3)CC2)c1[N+](=O)[O-] ZINC000185210533 278015955 /nfs/dbraw/zinc/01/59/55/278015955.db2.gz BGOSKAXGKSYMTJ-UHFFFAOYSA-N 0 1 291.351 2.135 20 5 CEBDMN CCc1nc(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)n[nH]1 ZINC000182282224 280110314 /nfs/dbraw/zinc/11/03/14/280110314.db2.gz HDVMVFOSQUXCOS-UHFFFAOYSA-N 0 1 295.686 2.181 20 5 CEBDMN CCc1n[nH]c(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)n1 ZINC000182282224 280110315 /nfs/dbraw/zinc/11/03/15/280110315.db2.gz HDVMVFOSQUXCOS-UHFFFAOYSA-N 0 1 295.686 2.181 20 5 CEBDMN CCc1[nH]nc(C(=O)N(C)[C@H](C)C2(C)CC2)c1[N+](=O)[O-] ZINC000185817500 280126679 /nfs/dbraw/zinc/12/66/79/280126679.db2.gz QOQGFOXUTRBPKQ-MRVPVSSYSA-N 0 1 280.328 2.141 20 5 CEBDMN CC[C@@H](C)[N@@H+](CCOc1cccc([N+](=O)[O-])c1)CC(=O)[O-] ZINC000236866575 280223237 /nfs/dbraw/zinc/22/32/37/280223237.db2.gz RTBSZXCJZRMUBF-LLVKDONJSA-N 0 1 296.323 2.159 20 5 CEBDMN Cc1cccc([N+](=O)[O-])c1N1CCN(CC2CC2)CC1 ZINC000301184395 281259994 /nfs/dbraw/zinc/25/99/94/281259994.db2.gz OOOZFVQJUOAARV-UHFFFAOYSA-N 0 1 275.352 2.435 20 5 CEBDMN CC[C@](C)(NCCn1cc([N+](=O)[O-])cn1)c1nccs1 ZINC000174871816 281288934 /nfs/dbraw/zinc/28/89/34/281288934.db2.gz NJYZUAVSWPKNCD-LBPRGKRZSA-N 0 1 295.368 2.163 20 5 CEBDMN CC(C)(C)c1nc(CNCc2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000459710654 290215287 /nfs/dbraw/zinc/21/52/87/290215287.db2.gz QNGSYUBMVWDMNE-UHFFFAOYSA-N 0 1 289.339 2.300 20 5 CEBDMN C[C@H](NCc1ccnc(N)c1)c1ccccc1[N+](=O)[O-] ZINC000488151768 290380671 /nfs/dbraw/zinc/38/06/71/290380671.db2.gz PRXZGTODWLZXGV-JTQLQIEISA-N 0 1 272.308 2.253 20 5 CEBDMN CN(C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)[C@H]1CC1(C)C ZINC000515161114 313066818 /nfs/dbraw/zinc/06/68/18/313066818.db2.gz FBJOUVHTPTWMGS-NSHDSACASA-N 0 1 288.307 2.342 20 5 CEBDMN CCC(CC)N(Cc1c([N+](=O)[O-])ncn1C)C1CC1 ZINC000531344684 313322864 /nfs/dbraw/zinc/32/28/64/313322864.db2.gz UBLHPKWOFNKXTD-UHFFFAOYSA-N 0 1 266.345 2.481 20 5 CEBDMN C[C@H]1C[C@@H](Nc2ncc([N+](=O)[O-])cc2F)CN1C1CC1 ZINC000574137692 314189065 /nfs/dbraw/zinc/18/90/65/314189065.db2.gz DLOJKROKOPTUMP-DTWKUNHWSA-N 0 1 280.303 2.166 20 5 CEBDMN O=[N+]([O-])c1ccc([O-])cc1C[N@@H+](C[C@H]1CCOC1)C1CC1 ZINC000577001413 314331453 /nfs/dbraw/zinc/33/14/53/314331453.db2.gz UHSFISHVPADLQN-LLVKDONJSA-N 0 1 292.335 2.301 20 5 CEBDMN C[C@@H](C(=O)[O-])[N@@H+](Cc1csc([N+](=O)[O-])c1)C1CCC1 ZINC000580904515 322354039 /nfs/dbraw/zinc/35/40/39/322354039.db2.gz VRLPXHOGIAFNFR-QMMMGPOBSA-N 0 1 284.337 2.484 20 5 CEBDMN C[C@@H](Nc1nc2c(cc1[N+](=O)[O-])CCCC2)c1nnc[nH]1 ZINC000581068544 322366226 /nfs/dbraw/zinc/36/62/26/322366226.db2.gz CPNWBEQXJWXPSJ-MRVPVSSYSA-N 0 1 288.311 2.160 20 5 CEBDMN O=[N+]([O-])c1cccc(C[N@@H+]2CCCC[C@@H]2C2(O)CC2)c1 ZINC000560590365 327328776 /nfs/dbraw/zinc/32/87/76/327328776.db2.gz OMHHWVQAPQUTFZ-CQSZACIVSA-N 0 1 276.336 2.474 20 5 CEBDMN CCO[C@@H]1C[C@H]1N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000584509483 329504859 /nfs/dbraw/zinc/50/48/59/329504859.db2.gz TZPQHFMSCWANAU-ZWKOPEQDSA-N 0 1 250.298 2.423 20 5 CEBDMN C[N@@H+](CCC(=O)[O-])Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000050444726 522687663 /nfs/dbraw/zinc/68/76/63/522687663.db2.gz ZEHKTAVMUHJHKS-UHFFFAOYSA-N 0 1 272.688 2.155 20 5 CEBDMN Cc1cnc(C(C)(C)NCCn2cc([N+](=O)[O-])cn2)s1 ZINC000183938118 525982643 /nfs/dbraw/zinc/98/26/43/525982643.db2.gz YYOJYHWRCILNHQ-UHFFFAOYSA-N 0 1 295.368 2.081 20 5 CEBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N(C)Cc1nnc[nH]1 ZINC000182834890 526088071 /nfs/dbraw/zinc/08/80/71/526088071.db2.gz DPCGVKBSQCIBGW-SNVBAGLBSA-N 0 1 275.312 2.214 20 5 CEBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC=C(c2cccs2)CC1 ZINC000363410793 526506906 /nfs/dbraw/zinc/50/69/06/526506906.db2.gz HFSKTAWNGQXKCT-GHMZBOCLSA-N 0 1 278.333 2.029 20 5 CEBDMN CN(CCOC(C)(C)C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000750091437 575246653 /nfs/dbraw/zinc/24/66/53/575246653.db2.gz KLSKEOXRZIHFFG-CQSZACIVSA-N 0 1 296.367 2.375 20 5 CEBDMN O=C([O-])[C@@H]1CC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000821511644 598129752 /nfs/dbraw/zinc/12/97/52/598129752.db2.gz OCJJLZJHADWTLT-KTLBGCOUSA-N 0 1 276.292 2.015 20 5 CEBDMN C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H](CNC(=O)[O-])C1 ZINC000825638764 604042555 /nfs/dbraw/zinc/04/25/55/604042555.db2.gz OOUKMCBILNTDKJ-GHMZBOCLSA-N 0 1 293.323 2.245 20 5 CEBDMN CC(C)[N@@H+](CCNC(=O)[O-])Cc1ccc([N+](=O)[O-])cc1 ZINC000824347125 604358479 /nfs/dbraw/zinc/35/84/79/604358479.db2.gz URUWXSOAPRDEBY-UHFFFAOYSA-N 0 1 281.312 2.073 20 5 CEBDMN C[C@]1(C(=O)[O-])CC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000833554275 604674487 /nfs/dbraw/zinc/67/44/87/604674487.db2.gz QFKDKZLSTSLWFL-DRDHIDPGSA-N 0 1 290.319 2.405 20 5 CEBDMN CC[N@H+]1C[C@@H](C)[C@@H](Nc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC000833658549 605191819 /nfs/dbraw/zinc/19/18/19/605191819.db2.gz SVWBESJVBOETNP-SKDRFNHKSA-N 0 1 293.323 2.045 20 5 CEBDMN O=[N+]([O-])c1ccc(F)cc1CN1CCC[C@@H](CO)CC1 ZINC000293264399 627398848 /nfs/dbraw/zinc/39/88/48/627398848.db2.gz UPUFGQRDLZESBN-LLVKDONJSA-N 0 1 282.315 2.328 20 5 CEBDMN C[C@@H]1Cc2cc(F)ccc2[C@H](C)N1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840408010 634597228 /nfs/dbraw/zinc/59/72/28/634597228.db2.gz AHJPUZIWAIMKDF-HZZFPTLFSA-N 0 1 292.310 2.325 20 5 CEBDMN C[C@@H]1CN(C)[C@@H](C)CN1c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000893079832 627986165 /nfs/dbraw/zinc/98/61/65/627986165.db2.gz KJOZWEDNGJDSBK-VHSXEESVSA-N 0 1 294.311 2.032 20 5 CEBDMN CN1C[C@@H]2CCN(c3c(F)cc([N+](=O)[O-])cc3F)[C@@H]2C1 ZINC000893941583 629056378 /nfs/dbraw/zinc/05/63/78/629056378.db2.gz UZPQLUIHDODVNU-QPUJVOFHSA-N 0 1 283.278 2.013 20 5 CEBDMN C[C@@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1ccc(Cl)cc1 ZINC000840672078 629303219 /nfs/dbraw/zinc/30/32/19/629303219.db2.gz KZZLHJKZQNKRIA-AVPPRXQKSA-N 0 1 297.694 2.120 20 5 CEBDMN C[C@H]1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000894302224 629321362 /nfs/dbraw/zinc/32/13/62/629321362.db2.gz ZNLYYHMTJKTKMQ-IGHBBLSQSA-N 0 1 274.320 2.261 20 5 CEBDMN CC/C=C\CNCc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000894705370 629602088 /nfs/dbraw/zinc/60/20/88/629602088.db2.gz ZNXGEJZFERBRJP-PLNGDYQASA-N 0 1 266.297 2.365 20 5 CEBDMN C[C@@H]1CN(Cc2c(F)cc([N+](=O)[O-])cc2F)CCN1C ZINC000795978260 629727271 /nfs/dbraw/zinc/72/72/71/629727271.db2.gz XZLKONXHHCVVOP-SECBINFHSA-N 0 1 285.294 2.009 20 5 CEBDMN Cc1ccc([N+](=O)[O-])c(N2CCN(C)[C@@H](C(C)(C)C)C2)n1 ZINC000895100349 629897058 /nfs/dbraw/zinc/89/70/58/629897058.db2.gz AYYSKELFWPQZHH-CYBMUJFWSA-N 0 1 292.383 2.465 20 5 CEBDMN CC1=NO[C@@H](CNC/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000895310470 630099044 /nfs/dbraw/zinc/09/90/44/630099044.db2.gz HVKRJPUVHIPZTA-RYWCDNDXSA-N 0 1 275.308 2.362 20 5 CEBDMN Cc1nn(CN2C[C@@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2)cc1[N+](=O)[O-] ZINC000840116676 631872498 /nfs/dbraw/zinc/87/24/98/631872498.db2.gz QGUSSJGQDVHAOD-COMQUAJESA-N 0 1 288.351 2.201 20 5 CEBDMN Cc1nonc1CN[C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000809744665 632138587 /nfs/dbraw/zinc/13/85/87/632138587.db2.gz XBGTXICASJPUNN-SNVBAGLBSA-N 0 1 290.323 2.397 20 5 CEBDMN O=C(O[C@@H]1CCCC[C@H]1F)c1ccc([N+](=O)[O-])[nH]1 ZINC000810892021 632300641 /nfs/dbraw/zinc/30/06/41/632300641.db2.gz CACXWDZIUGFCIR-VXNVDRBHSA-N 0 1 256.233 2.360 20 5 CEBDMN O=C(N[C@@H]1C[C@@H]2CCC[C@H]12)c1cc(O)cc([N+](=O)[O-])c1 ZINC000889595996 632301318 /nfs/dbraw/zinc/30/13/18/632301318.db2.gz DVTDQXWSXQCLHV-AQUOVQTQSA-N 0 1 276.292 2.219 20 5 CEBDMN Cc1nc([C@@H](C)OC(=O)c2cc(F)cc([N+](=O)[O-])c2)n[nH]1 ZINC000840228574 632359007 /nfs/dbraw/zinc/35/90/07/632359007.db2.gz QHDXAJDWRRIZJR-ZCFIWIBFSA-N 0 1 294.242 2.078 20 5 CEBDMN O=C(Oc1cccc(C(F)(F)F)c1)[C@@H]1CC1[N+](=O)[O-] ZINC000840246556 632489789 /nfs/dbraw/zinc/48/97/89/632489789.db2.gz NWKOPXQYXNAPIW-RKDXNWHRSA-N 0 1 275.182 2.276 20 5 CEBDMN CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840271561 632602500 /nfs/dbraw/zinc/60/25/00/632602500.db2.gz ZJAUQENUZRCBHY-RXGFPQBGSA-N 0 1 268.357 2.229 20 5 CEBDMN COc1ccc(OC(C)C)c(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 ZINC000840327527 632938186 /nfs/dbraw/zinc/93/81/86/632938186.db2.gz RFYYZOZRLGAMJS-ZYHUDNBSSA-N 0 1 294.307 2.086 20 5 CEBDMN O=[N+]([O-])c1ccc(Cn2cc([C@@H]3CCCCN3)nn2)cc1 ZINC000899706200 632962218 /nfs/dbraw/zinc/96/22/18/632962218.db2.gz MIMYMUMNTKPIEQ-ZDUSSCGKSA-N 0 1 287.323 2.049 20 5 CEBDMN O=[N+]([O-])CCNCCOc1cccc2ccccc21 ZINC000899870042 633064767 /nfs/dbraw/zinc/06/47/67/633064767.db2.gz CSVHAGSVLSGWSM-UHFFFAOYSA-N 0 1 260.293 2.085 20 5 CEBDMN CC[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])CCC(=O)[O-] ZINC000901605031 634208409 /nfs/dbraw/zinc/20/84/09/634208409.db2.gz JUQDWFLMYSKSHW-ALCCZGGFSA-N 0 1 278.308 2.405 20 5 CEBDMN O=C(CCN1CCC[C@@H](F)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000902995366 634924578 /nfs/dbraw/zinc/92/45/78/634924578.db2.gz CJURBAFPZSNWDX-LLVKDONJSA-N 0 1 295.314 2.357 20 5 CEBDMN COc1cc([C@@H](C)NCc2cc(C)n[nH]2)cc([N+](=O)[O-])c1 ZINC000903098621 634967602 /nfs/dbraw/zinc/96/76/02/634967602.db2.gz RPSSLFVEEPRGHN-SNVBAGLBSA-N 0 1 290.323 2.486 20 5 CEBDMN Cc1cc(CNCC[N+](=O)[O-])c(C)n1-c1ccccc1 ZINC000905395875 636271422 /nfs/dbraw/zinc/27/14/22/636271422.db2.gz PNONNFMKHZUEOP-UHFFFAOYSA-N 0 1 273.336 2.460 20 5 CEBDMN COc1ccc([C@H](C)OC(=O)[C@@H]2CC2[N+](=O)[O-])cc1C ZINC000906362470 636718459 /nfs/dbraw/zinc/71/84/59/636718459.db2.gz DXUAPLJONRGHEC-MVWJERBFSA-N 0 1 279.292 2.273 20 5 CEBDMN CN(Cc1ccccn1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000831039343 637221494 /nfs/dbraw/zinc/22/14/94/637221494.db2.gz ZHRLBWIHNKPJJY-OAHLLOKOSA-N 0 1 287.319 2.155 20 5 CEBDMN CC[C@H](C)[C@H](COC(=O)c1ccc([N+](=O)[O-])[nH]1)OC ZINC000835636833 638338019 /nfs/dbraw/zinc/33/80/19/638338019.db2.gz ZTDBOVOPVAEFAX-WPRPVWTQSA-N 0 1 270.285 2.141 20 5 CEBDMN CC(C)c1[nH]nc(C(=O)N(C)C[Si](C)(C)C)c1[N+](=O)[O-] ZINC000911727034 638379002 /nfs/dbraw/zinc/37/90/02/638379002.db2.gz JAMLQNAMNFXEJB-UHFFFAOYSA-N 0 1 298.419 2.391 20 5 CEBDMN C[C@@H](C(=O)N1CCCCc2ccc([N+](=O)[O-])cc21)N(C)C ZINC000912652218 638756065 /nfs/dbraw/zinc/75/60/65/638756065.db2.gz CQIMNAQEURLQAY-NSHDSACASA-N 0 1 291.351 2.214 20 5 CEBDMN O=C(OCC/C=C/c1ccccc1)[C@@H]1CC1[N+](=O)[O-] ZINC000840675211 639520925 /nfs/dbraw/zinc/52/09/25/639520925.db2.gz UHWUDWMVDSVIKC-BLUMVJBISA-N 0 1 261.277 2.298 20 5 CEBDMN Cc1cccc(CCCOC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC000840670648 639521142 /nfs/dbraw/zinc/52/11/42/639521142.db2.gz UIXMOGIERCKJMA-CHWSQXEVSA-N 0 1 263.293 2.136 20 5 CEBDMN C[C@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccc2c(c1)CCC2 ZINC000840675336 639521343 /nfs/dbraw/zinc/52/13/43/639521343.db2.gz WZYNJANMPKPMMN-CUOATXAZSA-N 0 1 275.304 2.445 20 5 CEBDMN C[C@@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])c1c(F)cc(F)cc1F ZINC000841156174 639694386 /nfs/dbraw/zinc/69/43/86/639694386.db2.gz JHYMQNXKRPAHQE-VISXPRAWSA-N 0 1 289.209 2.373 20 5 CEBDMN C[C@@H]1CCC[C@@H](C)N(Cn2nccc2[N+](=O)[O-])C1 ZINC000172919235 639827102 /nfs/dbraw/zinc/82/71/02/639827102.db2.gz DVAHYBMWVJSWMX-GHMZBOCLSA-N 0 1 252.318 2.259 20 5 CEBDMN O=C(O[C@H]1C[C@@H](c2ccccc2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000842360574 640028394 /nfs/dbraw/zinc/02/83/94/640028394.db2.gz LHGDTOPNSSDDKL-YVECIDJPSA-N 0 1 261.277 2.141 20 5 CEBDMN CC(C)[C@H](N)c1noc(CCc2cccc([N+](=O)[O-])c2)n1 ZINC000843149738 640308223 /nfs/dbraw/zinc/30/82/23/640308223.db2.gz PCKFHFFWVXDFIB-ZDUSSCGKSA-N 0 1 290.323 2.419 20 5 CEBDMN CCNCc1nc(-c2ccc(C)c([N+](=O)[O-])c2)no1 ZINC000843178929 640329892 /nfs/dbraw/zinc/32/98/92/640329892.db2.gz RCYGXIFHPQFAFU-UHFFFAOYSA-N 0 1 262.269 2.063 20 5 CEBDMN O=[N+]([O-])c1ccc(OCCN2C[C@H]3[C@@H](C2)C3(F)F)cc1 ZINC000844449696 640730618 /nfs/dbraw/zinc/73/06/18/640730618.db2.gz CSJNDYLIERDDED-TXEJJXNPSA-N 0 1 284.262 2.171 20 5 CEBDMN C[C@@H]1CN(Cn2cc([N+](=O)[O-])cn2)CCc2ccccc21 ZINC000844743126 640822662 /nfs/dbraw/zinc/82/26/62/640822662.db2.gz UJJIYUHEOHOERG-GFCCVEGCSA-N 0 1 286.335 2.411 20 5 CEBDMN Cc1cc([N+](=O)[O-])ccc1-c1noc(CC(F)(F)CN)n1 ZINC000844909567 640863312 /nfs/dbraw/zinc/86/33/12/640863312.db2.gz NNEIEBKVZLLMFH-UHFFFAOYSA-N 0 1 298.249 2.090 20 5 CEBDMN O=C(OCCc1ccccc1)c1ccc([N+](=O)[O-])[nH]1 ZINC000918488015 640961071 /nfs/dbraw/zinc/96/10/71/640961071.db2.gz AETLWVYIRUSPDL-UHFFFAOYSA-N 0 1 260.249 2.322 20 5 CEBDMN Cc1noc(C)c1CNC[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000105908923 640974349 /nfs/dbraw/zinc/97/43/49/640974349.db2.gz FHFUFZZUGMHYJA-CQSZACIVSA-N 0 1 291.307 2.023 20 5 CEBDMN C[C@@H]1C[C@@H](OC(=O)c2ccc([N+](=O)[O-])[nH]2)CC(C)(C)C1=O ZINC000847933571 641838973 /nfs/dbraw/zinc/83/89/73/641838973.db2.gz VHPYSQYSGAPMSC-RKDXNWHRSA-N 0 1 294.307 2.474 20 5 CEBDMN CCC(=O)NC1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001002193975 642759670 /nfs/dbraw/zinc/75/96/70/642759670.db2.gz WGMVLMIRUJNONV-UHFFFAOYSA-N 0 1 291.351 2.085 20 5 CEBDMN Cc1ccc([N+](=O)[O-])c(C)c1CN1CC(C(C)(C)O)C1 ZINC000877580399 650799194 /nfs/dbraw/zinc/79/91/94/650799194.db2.gz CAGDYXMPLQPGHZ-UHFFFAOYSA-N 0 1 278.352 2.414 20 5 CEBDMN CCN1CCC[C@H](NCc2cccc([N+](=O)[O-])c2C)C1=O ZINC000922639283 643172150 /nfs/dbraw/zinc/17/21/50/643172150.db2.gz MDHYCKMAWXOYLV-ZDUSSCGKSA-N 0 1 291.351 2.004 20 5 CEBDMN C[C@@H](NC1CC(n2cc([N+](=O)[O-])cn2)C1)c1cscn1 ZINC000877625417 650819773 /nfs/dbraw/zinc/81/97/73/650819773.db2.gz NRVTYCSGQXAWSN-XNWIYYODSA-N 0 1 293.352 2.302 20 5 CEBDMN CCn1nccc1CN[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000853239207 643719043 /nfs/dbraw/zinc/71/90/43/643719043.db2.gz CECCSILEFOQRCT-JTQLQIEISA-N 0 1 289.339 2.244 20 5 CEBDMN C[C@@]1(C(=O)OCc2cc(O)ccc2[N+](=O)[O-])CCCCO1 ZINC000838436083 643941086 /nfs/dbraw/zinc/94/10/86/643941086.db2.gz WRQRZLGFIQILGW-AWEZNQCLSA-N 0 1 295.291 2.303 20 5 CEBDMN CC[C@@H]1OCC[C@H]1NCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000839198681 644191759 /nfs/dbraw/zinc/19/17/59/644191759.db2.gz TYIWQSVYZKMQEE-YPMHNXCESA-N 0 1 295.295 2.160 20 5 CEBDMN O=C(N[C@H]1CCSc2ccccc21)[C@@H]1CC1[N+](=O)[O-] ZINC000839467061 644237193 /nfs/dbraw/zinc/23/71/93/644237193.db2.gz OEXNDBHQUJGKSQ-OUAUKWLOSA-N 0 1 278.333 2.005 20 5 CEBDMN C[C@@H](c1cc(F)ccc1F)N(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839511154 644244956 /nfs/dbraw/zinc/24/49/56/644244956.db2.gz SPVYRCGZPHDGCJ-HNBZJPLGSA-N 0 1 284.262 2.149 20 5 CEBDMN Cc1nc(-c2ccc(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])cc2)co1 ZINC000839509146 644245020 /nfs/dbraw/zinc/24/50/20/644245020.db2.gz UIUAJMOHVGWLAX-DGCLKSJQSA-N 0 1 287.275 2.254 20 5 CEBDMN Cc1ccccc1C(C)(C)CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839622659 644756838 /nfs/dbraw/zinc/75/68/38/644756838.db2.gz SHDWZUKKQSJUBF-DGCLKSJQSA-N 0 1 276.336 2.054 20 5 CEBDMN C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839686202 644773225 /nfs/dbraw/zinc/77/32/25/644773225.db2.gz MNQTXWHVHXJYIL-OASPWFOLSA-N 0 1 296.754 2.395 20 5 CEBDMN CC[C@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839686275 644773233 /nfs/dbraw/zinc/77/32/33/644773233.db2.gz WGNAIXWAASKZAQ-JHJVBQTASA-N 0 1 296.754 2.443 20 5 CEBDMN C[C@@H]1C[C@@H](c2ccccc2F)N(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839689874 644774159 /nfs/dbraw/zinc/77/41/59/644774159.db2.gz BQRNIEJCDIAJFC-QIRAZROLSA-N 0 1 292.310 2.400 20 5 CEBDMN CCCC[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])C1CCC1 ZINC000839700774 644778000 /nfs/dbraw/zinc/77/80/00/644778000.db2.gz JUEOMUOWPCSMOG-IJLUTSLNSA-N 0 1 254.330 2.127 20 5 CEBDMN C[C@@H]1CCc2c(F)cccc2[C@H]1NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839701328 644778040 /nfs/dbraw/zinc/77/80/40/644778040.db2.gz OWNRGLJIMNBQID-GFCLTOETSA-N 0 1 292.310 2.231 20 5 CEBDMN CC(C)C[C@H]1CCCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839700256 644778232 /nfs/dbraw/zinc/77/82/32/644778232.db2.gz FNKXBKIDYKNCFQ-IJLUTSLNSA-N 0 1 254.330 2.079 20 5 CEBDMN Cc1ccccc1[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])C1CC1 ZINC000839680094 644783779 /nfs/dbraw/zinc/78/37/79/644783779.db2.gz OCNZOKMQVDVSGJ-MGPQQGTHSA-N 0 1 274.320 2.228 20 5 CEBDMN CC[C@@]1(C)Oc2ccc(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])cc2O1 ZINC000839733104 644785575 /nfs/dbraw/zinc/78/55/75/644785575.db2.gz HGJFVJOLSCKQNP-RULNRJAQSA-N 0 1 292.291 2.188 20 5 CEBDMN CC(F)(F)c1cccc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 ZINC000839731893 644796005 /nfs/dbraw/zinc/79/60/05/644796005.db2.gz WFUZSRAJFKQQNX-NXEZZACHSA-N 0 1 270.235 2.402 20 5 CEBDMN CCN1CC[C@@H]1CNC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000877952535 650956792 /nfs/dbraw/zinc/95/67/92/650956792.db2.gz PCMVKFIUSDXLSB-LLVKDONJSA-N 0 1 292.339 2.119 20 5 CEBDMN O=C(OCC1CCC2(CC2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC000861241385 646073967 /nfs/dbraw/zinc/07/39/67/646073967.db2.gz DEDQDOBFKZEOEZ-GHMZBOCLSA-N 0 1 253.298 2.165 20 5 CEBDMN CCOC(=O)C1=CC[C@H](NCc2csc([N+](=O)[O-])c2)C1 ZINC000862486582 646476958 /nfs/dbraw/zinc/47/69/58/646476958.db2.gz FJBYQQXYUPYOCQ-NSHDSACASA-N 0 1 296.348 2.398 20 5 CEBDMN CCOC(=O)C1=CC[C@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC000862487628 646478757 /nfs/dbraw/zinc/47/87/57/646478757.db2.gz SBBUEXJUJGQDFD-ZDUSSCGKSA-N 0 1 290.319 2.336 20 5 CEBDMN COC(=O)CC1(NCc2cc(F)ccc2[N+](=O)[O-])CCC1 ZINC000779200140 647297165 /nfs/dbraw/zinc/29/71/65/647297165.db2.gz STQYBCYZGNZNOJ-UHFFFAOYSA-N 0 1 296.298 2.309 20 5 CEBDMN Cc1nn(CN2CCC[C@@H]2C(C)C)cc1[N+](=O)[O-] ZINC000779858465 647365877 /nfs/dbraw/zinc/36/58/77/647365877.db2.gz FNMIFOOEVGTAPL-LLVKDONJSA-N 0 1 252.318 2.178 20 5 CEBDMN C[C@@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)c1ccc[nH]1 ZINC000780676781 647458647 /nfs/dbraw/zinc/45/86/47/647458647.db2.gz DXQZJFYTYCINAF-MRVPVSSYSA-N 0 1 275.264 2.120 20 5 CEBDMN O=C(OCc1ccc(Cl)cn1)c1ccc([N+](=O)[O-])[nH]1 ZINC000784573303 647864533 /nfs/dbraw/zinc/86/45/33/647864533.db2.gz GCQKABGJHBVSBB-UHFFFAOYSA-N 0 1 281.655 2.328 20 5 CEBDMN C[C@@](N)(C(=O)NCCC1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000867944305 647997145 /nfs/dbraw/zinc/99/71/45/647997145.db2.gz COSIFVRFYYUDKF-HNNXBMFYSA-N 0 1 291.351 2.075 20 5 CEBDMN O=[N+]([O-])c1ccn(C2CCN(Cc3ccoc3)CC2)n1 ZINC000787288369 648095611 /nfs/dbraw/zinc/09/56/11/648095611.db2.gz JWJVWCIHAMSXBQ-UHFFFAOYSA-N 0 1 276.296 2.221 20 5 CEBDMN CC[C@@H](O)CN[C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872086710 649268924 /nfs/dbraw/zinc/26/89/24/649268924.db2.gz YSRJKTAJVGWTRT-DTWKUNHWSA-N 0 1 256.277 2.155 20 5 CEBDMN O=[N+]([O-])c1cc(CN2CC[C@H](CF)C2)c2c(c1)COCO2 ZINC000880292029 651416079 /nfs/dbraw/zinc/41/60/79/651416079.db2.gz LYKZFGCRGNJHHY-SNVBAGLBSA-N 0 1 296.298 2.253 20 5 CEBDMN CSCc1n[nH]c(CNc2ccc([N+](=O)[O-])cc2C)n1 ZINC000884695220 652967908 /nfs/dbraw/zinc/96/79/08/652967908.db2.gz OMPPHHBZRMWFBE-UHFFFAOYSA-N 0 1 293.352 2.496 20 5 CEBDMN CSCc1nnc(CNc2ccc([N+](=O)[O-])cc2C)[nH]1 ZINC000884695220 652967909 /nfs/dbraw/zinc/96/79/09/652967909.db2.gz OMPPHHBZRMWFBE-UHFFFAOYSA-N 0 1 293.352 2.496 20 5 CEBDMN CN(CCNCc1csc([N+](=O)[O-])c1)C(=O)C1CCC1 ZINC001267338776 803384997 /nfs/dbraw/zinc/38/49/97/803384997.db2.gz FMPWPGTXTVCSQJ-UHFFFAOYSA-N 0 1 297.380 2.004 20 5 CEBDMN Cc1nnc(S/C=C\c2ccc([N+](=O)[O-])o2)[nH]1 ZINC001115829687 814759070 /nfs/dbraw/zinc/75/90/70/814759070.db2.gz HYTSTRPGUGGLEO-PLNGDYQASA-N 0 1 252.255 2.377 20 5 CEBDMN Cc1n[nH]c(S/C=C\c2ccc([N+](=O)[O-])o2)n1 ZINC001115829687 814759077 /nfs/dbraw/zinc/75/90/77/814759077.db2.gz HYTSTRPGUGGLEO-PLNGDYQASA-N 0 1 252.255 2.377 20 5 CEBDMN COC(=O)[C@@H]1CCC[C@@H]1Oc1cc(O)ccc1[N+](=O)[O-] ZINC001225492063 804886036 /nfs/dbraw/zinc/88/60/36/804886036.db2.gz VKRQNICCJGIICN-KOLCDFICSA-N 0 1 281.264 2.021 20 5 CEBDMN NCc1nccnc1Nc1nccc2c1cccc2[N+](=O)[O-] ZINC001171441986 815096163 /nfs/dbraw/zinc/09/61/63/815096163.db2.gz YUUDNCATNFZEIA-UHFFFAOYSA-N 0 1 296.290 2.135 20 5 CEBDMN CC[C@@H]1COC[C@@H]1NCc1cc([N+](=O)[O-])ccc1OC ZINC000699831946 807865560 /nfs/dbraw/zinc/86/55/60/807865560.db2.gz AKJXLJCYBVFYNY-MFKMUULPSA-N 0 1 280.324 2.118 20 5 CEBDMN C[C@@H]1CCC[C@@H](N(C)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000073587234 808735332 /nfs/dbraw/zinc/73/53/32/808735332.db2.gz QQXNBEBYSWEEHD-GHMZBOCLSA-N 0 1 252.318 2.259 20 5 CEBDMN O=c1cc(Nc2ccccc2[N+](=O)[O-])nc(Cl)[nH]1 ZINC001206150309 815253725 /nfs/dbraw/zinc/25/37/25/815253725.db2.gz MZFIKLFBIPZWRB-UHFFFAOYSA-N 0 1 266.644 2.487 20 5 CEBDMN C[C@H]1CN(Cc2ccc([N+](=O)[O-])c(F)c2)C[C@H](C)C1O ZINC000700345154 809302176 /nfs/dbraw/zinc/30/21/76/809302176.db2.gz AGMMVAQXZSIUAL-UWVGGRQHSA-N 0 1 282.315 2.183 20 5 CEBDMN NCc1nc2ccccc2n1[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168964191 811316658 /nfs/dbraw/zinc/31/66/58/811316658.db2.gz RTCTUJPMPXNEOO-MNOVXSKESA-N 0 1 274.324 2.113 20 5 CEBDMN COc1ccc(Nc2cc(=O)[nH]c(Cl)n2)cc1[N+](=O)[O-] ZINC001176360873 816401383 /nfs/dbraw/zinc/40/13/83/816401383.db2.gz BIRDUSRBDDCEOW-UHFFFAOYSA-N 0 1 296.670 2.496 20 5 CEBDMN CC(C)CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CCCC1 ZINC000839704376 816576734 /nfs/dbraw/zinc/57/67/34/816576734.db2.gz RMVGWFXNXUVPTG-VXGBXAGGSA-N 0 1 254.330 2.079 20 5 CEBDMN Cn1ncc2c1CCC[C@@H]2NCc1ccc([N+](=O)[O-])cc1 ZINC000035274158 361819788 /nfs/dbraw/zinc/81/97/88/361819788.db2.gz NHFRTCPJSDCPRR-AWEZNQCLSA-N 0 1 286.335 2.496 20 5 CEBDMN CCCNC(=O)CN[C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000036780883 361857001 /nfs/dbraw/zinc/85/70/01/361857001.db2.gz BKVGLEVWPKOIFO-ZDUSSCGKSA-N 0 1 279.340 2.162 20 5 CEBDMN Cc1ccc(NC(=O)c2ncccc2O)cc1[N+](=O)[O-] ZINC000037760527 361930476 /nfs/dbraw/zinc/93/04/76/361930476.db2.gz ZAAVQVWDAZKNGK-UHFFFAOYSA-N 0 1 273.248 2.256 20 5 CEBDMN COC1CCN(CCNc2ccc([N+](=O)[O-])s2)CC1 ZINC000080250215 344004935 /nfs/dbraw/zinc/00/49/35/344004935.db2.gz ORJAXXDYQMCPES-UHFFFAOYSA-N 0 1 285.369 2.179 20 5 CEBDMN CC[C@@H](C)n1ncc(Nc2ncc([N+](=O)[O-])c(N)n2)c1C ZINC000357653222 529444043 /nfs/dbraw/zinc/44/40/43/529444043.db2.gz YEANVMCCSMWDDZ-SSDOTTSWSA-N 0 1 291.315 2.017 20 5 CEBDMN COc1cc([N+](=O)[O-])ccc1-n1[nH]c2c(c1=O)CC[C@@H]2C ZINC000601936878 346933250 /nfs/dbraw/zinc/93/32/50/346933250.db2.gz WUNKBZPHVYOIQY-WCBMZHEXSA-N 0 1 289.291 2.352 20 5 CEBDMN CCc1nc(CNc2cccc(F)c2[N+](=O)[O-])n[nH]1 ZINC000295020806 199304786 /nfs/dbraw/zinc/30/47/86/199304786.db2.gz UUMLIPWBVDKMII-UHFFFAOYSA-N 0 1 265.248 2.027 20 5 CEBDMN Cc1[nH]nc(C(=O)N2CCC[C@@H]3CCCC[C@H]32)c1[N+](=O)[O-] ZINC000064335281 343688588 /nfs/dbraw/zinc/68/85/88/343688588.db2.gz JZWOMFDFOPQVJO-WDEREUQCSA-N 0 1 292.339 2.421 20 5 CEBDMN O=[N+]([O-])c1ccccc1N1CCC(c2nc[nH]n2)CC1 ZINC000081036985 344036502 /nfs/dbraw/zinc/03/65/02/344036502.db2.gz ZYSXTMNYFAXUNL-UHFFFAOYSA-N 0 1 273.296 2.097 20 5 CEBDMN CCN(CC)[C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000072861955 343813554 /nfs/dbraw/zinc/81/35/54/343813554.db2.gz FVIQBLNIILFTNU-SNVBAGLBSA-N 0 1 295.339 2.272 20 5 CEBDMN CC[N@@H+](C)C[C@H]1CCN(Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000093769956 344228996 /nfs/dbraw/zinc/22/89/96/344228996.db2.gz KKFKONJORSBTFW-GFCCVEGCSA-N 0 1 293.367 2.074 20 5 CEBDMN CC1(C)[C@@H](O)C[C@@H]1NCc1c(Cl)cccc1[N+](=O)[O-] ZINC000128451271 344336795 /nfs/dbraw/zinc/33/67/95/344336795.db2.gz GIMIIEFIDHRQQX-RYUDHWBXSA-N 0 1 284.743 2.497 20 5 CEBDMN CC[C@@H](CO)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000049963353 362387891 /nfs/dbraw/zinc/38/78/91/362387891.db2.gz XTSFWROCRUOQGD-VIFPVBQESA-N 0 1 258.705 2.109 20 5 CEBDMN C[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)CC[N@H+]1C ZINC000158189151 344450223 /nfs/dbraw/zinc/45/02/23/344450223.db2.gz RLFKXWOVRMVXLP-MWLCHTKSSA-N 0 1 293.323 2.188 20 5 CEBDMN O=[N+]([O-])c1cc(F)ccc1-c1nc([C@H]2CCCN2)no1 ZINC000228560553 344561095 /nfs/dbraw/zinc/56/10/95/344561095.db2.gz YHEWOBLEWLDDME-SECBINFHSA-N 0 1 278.243 2.208 20 5 CEBDMN O=[N+]([O-])c1cc(CN2CC[C@@H](CCCO)C2)cs1 ZINC000449793273 282370581 /nfs/dbraw/zinc/37/05/81/282370581.db2.gz WCVZIUSVRYKEEG-SNVBAGLBSA-N 0 1 270.354 2.251 20 5 CEBDMN CC[C@H]1CN(C)CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000590798873 345182388 /nfs/dbraw/zinc/18/23/88/345182388.db2.gz GLOAACCFLZFLMP-LBPRGKRZSA-N 0 1 292.339 2.153 20 5 CEBDMN O=[N+]([O-])c1ccccc1CN1CCC(C2OCCO2)CC1 ZINC000110084925 232198047 /nfs/dbraw/zinc/19/80/47/232198047.db2.gz HSKLEWQYLYPCTG-UHFFFAOYSA-N 0 1 292.335 2.180 20 5 CEBDMN COCCCN(C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595295557 345756757 /nfs/dbraw/zinc/75/67/57/345756757.db2.gz ZYVIOFXGHIANQV-UHFFFAOYSA-N 0 1 256.277 2.202 20 5 CEBDMN O=[N+]([O-])c1ccc(CNCCO[C@@H]2CC2(F)F)c(F)c1 ZINC000594971252 345719527 /nfs/dbraw/zinc/71/95/27/345719527.db2.gz YJTJUPQEHPPBQF-LLVKDONJSA-N 0 1 290.241 2.248 20 5 CEBDMN O=[N+]([O-])c1cc(F)ccc1CN1CCC[C@H](CCO)C1 ZINC000595302808 345758726 /nfs/dbraw/zinc/75/87/26/345758726.db2.gz KKAIWAJGTAOFJV-LLVKDONJSA-N 0 1 282.315 2.328 20 5 CEBDMN COC[C@H]1CCN(Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595326367 345762554 /nfs/dbraw/zinc/76/25/54/345762554.db2.gz BQYPISFXGATLNN-JTQLQIEISA-N 0 1 268.288 2.202 20 5 CEBDMN Cc1noc(CN2C[C@@H]3CCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000595339417 345764749 /nfs/dbraw/zinc/76/47/49/345764749.db2.gz OISRYIYHDZCTCL-AOOOYVTPSA-N 0 1 251.286 2.123 20 5 CEBDMN CN(Cc1csc([N+](=O)[O-])c1)Cc1cnc[nH]1 ZINC000595595018 345821231 /nfs/dbraw/zinc/82/12/31/345821231.db2.gz AORWLKBKWKAJCB-UHFFFAOYSA-N 0 1 252.299 2.011 20 5 CEBDMN COCC1(NCc2c(F)cccc2[N+](=O)[O-])CCOCC1 ZINC000595499570 345796665 /nfs/dbraw/zinc/79/66/65/345796665.db2.gz MQYMCPXYUCMDDK-UHFFFAOYSA-N 0 1 298.314 2.019 20 5 CEBDMN CO[C@@]1(CO)CCCN([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000595664559 345842435 /nfs/dbraw/zinc/84/24/35/345842435.db2.gz ZXLGOGXJHYOSIU-WFASDCNBSA-N 0 1 294.351 2.129 20 5 CEBDMN C[C@@H](CO)[C@H]1CCCC[N@H+]1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000595674590 345844866 /nfs/dbraw/zinc/84/48/66/345844866.db2.gz LUKAVKWFWKPAAY-SMDDNHRTSA-N 0 1 294.351 2.283 20 5 CEBDMN COc1ccc(CN2C[C@@H](C)[C@@](C)(CO)C2)cc1[N+](=O)[O-] ZINC000595876396 345904059 /nfs/dbraw/zinc/90/40/59/345904059.db2.gz SVCAGTNYQYYQAM-IAQYHMDHSA-N 0 1 294.351 2.054 20 5 CEBDMN CC[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])[C@@H](C)C(=O)[O-] ZINC000595883599 345905564 /nfs/dbraw/zinc/90/55/64/345905564.db2.gz ZNOTUYJBZCUKIU-QMMMGPOBSA-N 0 1 270.260 2.029 20 5 CEBDMN Cc1cc(C[C@@H](C)Nc2c(Cl)cncc2[N+](=O)[O-])[nH]n1 ZINC000596166880 345958045 /nfs/dbraw/zinc/95/80/45/345958045.db2.gz ZASYPUIEIMEKMZ-SSDOTTSWSA-N 0 1 295.730 2.140 20 5 CEBDMN Cc1ncc(CN(C)CCc2ccccc2[N+](=O)[O-])n1C ZINC000597131837 346132577 /nfs/dbraw/zinc/13/25/77/346132577.db2.gz XIQXQURMLUHQTB-UHFFFAOYSA-N 0 1 288.351 2.311 20 5 CEBDMN O=C(NC[C@@H]1CCC[C@H]2C[C@H]21)c1cc(O)cc([N+](=O)[O-])c1 ZINC000598209466 346306001 /nfs/dbraw/zinc/30/60/01/346306001.db2.gz UJEAKXSRQBCDQD-PKFCDNJMSA-N 0 1 290.319 2.466 20 5 CEBDMN Cc1[nH]nc(C(=O)N2CCC[C@H](C3CCC3)C2)c1[N+](=O)[O-] ZINC000598398441 346345422 /nfs/dbraw/zinc/34/54/22/346345422.db2.gz DXURLKKKWLYUEB-NSHDSACASA-N 0 1 292.339 2.279 20 5 CEBDMN CC1(C)CC(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000598504209 346367167 /nfs/dbraw/zinc/36/71/67/346367167.db2.gz HQUZTJKSBRWSNL-UHFFFAOYSA-N 0 1 288.307 2.390 20 5 CEBDMN COc1cc([N+](=O)[O-])ccc1CN1CC[C@@H](C)[C@@H](CO)C1 ZINC000598647123 346392421 /nfs/dbraw/zinc/39/24/21/346392421.db2.gz NRRXASZHNOLFKK-DGCLKSJQSA-N 0 1 294.351 2.054 20 5 CEBDMN O=[N+]([O-])c1ccc(CN[C@H](CO)c2ccccc2)cc1 ZINC000062999689 362738935 /nfs/dbraw/zinc/73/89/35/362738935.db2.gz YPTLWJXIOPKDME-OAHLLOKOSA-N 0 1 272.304 2.418 20 5 CEBDMN O=[N+]([O-])c1cc(CN2CCN(CCCF)CC2)cs1 ZINC000599673318 346560547 /nfs/dbraw/zinc/56/05/47/346560547.db2.gz YVGHIEREGWJHQH-UHFFFAOYSA-N 0 1 287.360 2.134 20 5 CEBDMN CC(C)[C@@H]1CNCCN1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000599590719 346543536 /nfs/dbraw/zinc/54/35/36/346543536.db2.gz XWQSOOXZDQCGRR-ZDUSSCGKSA-N 0 1 292.339 2.057 20 5 CEBDMN Cc1ncc([N+](=O)[O-])n1Cc1c(C)cc(C)nc1C ZINC000601076866 346745364 /nfs/dbraw/zinc/74/53/64/346745364.db2.gz RRRVOGWOVWIROX-UHFFFAOYSA-N 0 1 260.297 2.468 20 5 CEBDMN CC(C)[C@H]1CN(c2sccc2[N+](=O)[O-])CCN1C ZINC000601262592 346804800 /nfs/dbraw/zinc/80/48/00/346804800.db2.gz NGSUVSNBCNLBTN-LLVKDONJSA-N 0 1 269.370 2.433 20 5 CEBDMN Cn1cc(CN2CCC[C@@]3(CCSC3)C2)c([N+](=O)[O-])n1 ZINC000602679907 347140973 /nfs/dbraw/zinc/14/09/73/347140973.db2.gz BHGNQNKANMWDQJ-CYBMUJFWSA-N 0 1 296.396 2.047 20 5 CEBDMN C[C@H](C1CC1)N(Cc1cn(C)nc1[N+](=O)[O-])C1CC1 ZINC000602764199 347188675 /nfs/dbraw/zinc/18/86/75/347188675.db2.gz UUDMIDCWXHRHHY-SECBINFHSA-N 0 1 264.329 2.091 20 5 CEBDMN Cc1ncc([N+](=O)[O-])n1CCN1CCC(F)(F)C[C@H]1C ZINC000602914797 347245564 /nfs/dbraw/zinc/24/55/64/347245564.db2.gz IQEKEQKOFJNTJM-SECBINFHSA-N 0 1 288.298 2.219 20 5 CEBDMN C[C@@](CO)(NCCC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000602962676 347258668 /nfs/dbraw/zinc/25/86/68/347258668.db2.gz NMYSBALZLMDCTG-NSHDSACASA-N 0 1 292.257 2.344 20 5 CEBDMN O=C(Nc1c(O)cccc1F)c1cc(O)cc([N+](=O)[O-])c1 ZINC000610891517 347720638 /nfs/dbraw/zinc/72/06/38/347720638.db2.gz MPOHKKZOYVOINO-UHFFFAOYSA-N 0 1 292.222 2.397 20 5 CEBDMN COCC1(N(C)Cc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000611178082 347748042 /nfs/dbraw/zinc/74/80/42/347748042.db2.gz DRQWPWPJELHJDD-UHFFFAOYSA-N 0 1 280.324 2.214 20 5 CEBDMN CC(C)CCN(C)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000611553926 347794196 /nfs/dbraw/zinc/79/41/96/347794196.db2.gz DVAALSKQPOFWHI-UHFFFAOYSA-N 0 1 266.297 2.419 20 5 CEBDMN C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[C@H](n2cncn2)C1 ZINC000614418886 348197444 /nfs/dbraw/zinc/19/74/44/348197444.db2.gz DMHGACPLJPXHJB-RISCZKNCSA-N 0 1 287.323 2.194 20 5 CEBDMN C[C@@H]1CN(C)[C@@H](C)CN1Cc1ccc([N+](=O)[O-])cc1F ZINC000351937671 219255199 /nfs/dbraw/zinc/25/51/99/219255199.db2.gz UWQCHIFUCAAXPN-WDEREUQCSA-N 0 1 281.331 2.258 20 5 CEBDMN COC(=O)[C@@H]1CCCN(Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000066832895 362889334 /nfs/dbraw/zinc/88/93/34/362889334.db2.gz ITAOLYLKOZZQLJ-CYBMUJFWSA-N 0 1 292.335 2.288 20 5 CEBDMN CC[C@@]1(NCc2nc3cc([N+](=O)[O-])ccc3o2)CCOC1 ZINC000616866176 348581044 /nfs/dbraw/zinc/58/10/44/348581044.db2.gz SQTRHZPLCOEDJM-CQSZACIVSA-N 0 1 291.307 2.395 20 5 CEBDMN CC[C@]1(NCc2nc3cc([N+](=O)[O-])ccc3o2)CCOC1 ZINC000616866175 348581079 /nfs/dbraw/zinc/58/10/79/348581079.db2.gz SQTRHZPLCOEDJM-AWEZNQCLSA-N 0 1 291.307 2.395 20 5 CEBDMN CO[C@@H](CNCc1ccc([N+](=O)[O-])cc1F)C1CC1 ZINC000339528233 215230911 /nfs/dbraw/zinc/23/09/11/215230911.db2.gz PUGZBSHDNVXAOF-ZDUSSCGKSA-N 0 1 268.288 2.249 20 5 CEBDMN C[C@H]1CC[N@@H+](Cc2csc([N+](=O)[O-])c2)C[C@@H]1C(=O)[O-] ZINC000569120529 299182856 /nfs/dbraw/zinc/18/28/56/299182856.db2.gz XYKHOVBCHBLNBT-WPRPVWTQSA-N 0 1 284.337 2.199 20 5 CEBDMN C[C@@H](c1ccccc1[N+](=O)[O-])N(C)CCn1cccn1 ZINC000072631049 363152743 /nfs/dbraw/zinc/15/27/43/363152743.db2.gz NITPWOPRTNFNKZ-LBPRGKRZSA-N 0 1 274.324 2.484 20 5 CEBDMN O=C(CN1C[C@H]2CCC[C@@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000152886159 188050475 /nfs/dbraw/zinc/05/04/75/188050475.db2.gz NFBJUHWUXVLBRO-VXGBXAGGSA-N 0 1 289.335 2.265 20 5 CEBDMN CCCCN(C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000073601396 363231474 /nfs/dbraw/zinc/23/14/74/363231474.db2.gz JAOXQTQTCPLYGC-UHFFFAOYSA-N 0 1 291.351 2.216 20 5 CEBDMN C[C@@H](C[S@](C)=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000168205289 188647221 /nfs/dbraw/zinc/64/72/21/188647221.db2.gz WAAWQSXNZCRYCY-DCXZOGHSSA-N 0 1 290.772 2.105 20 5 CEBDMN CC[C@H](C(N)=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451550055 283031287 /nfs/dbraw/zinc/03/12/87/283031287.db2.gz QRKSKKNTFXHHDZ-GXTWGEPZSA-N 0 1 291.351 2.038 20 5 CEBDMN Cc1cc(C[C@@H](C)Nc2ncccc2[N+](=O)[O-])[nH]n1 ZINC000133491117 366230185 /nfs/dbraw/zinc/23/01/85/366230185.db2.gz WCQSMHULBMKCSH-MRVPVSSYSA-N 0 1 261.285 2.064 20 5 CEBDMN CCO[C@@H]1COC[C@H]1N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000451932818 283146351 /nfs/dbraw/zinc/14/63/51/283146351.db2.gz DUGAHBMZPNRZPE-ZKYQVNSYSA-N 0 1 280.324 2.049 20 5 CEBDMN CC(C)c1[nH]nc(C(=O)N2CC[C@H]2C2CC2)c1[N+](=O)[O-] ZINC000452497114 283302917 /nfs/dbraw/zinc/30/29/17/283302917.db2.gz IQOBQGKFRPQGOW-VIFPVBQESA-N 0 1 278.312 2.066 20 5 CEBDMN CCC[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])C(C)(C)C ZINC000452662636 283348748 /nfs/dbraw/zinc/34/87/48/283348748.db2.gz NWVPXDGTMFSWRY-VIFPVBQESA-N 0 1 268.317 2.263 20 5 CEBDMN O=C(c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1)N1CC2(CC2)C1 ZINC000452695295 283357263 /nfs/dbraw/zinc/35/72/63/283357263.db2.gz JJGCJIFIUSBHMU-UHFFFAOYSA-N 0 1 298.302 2.221 20 5 CEBDMN C[C@@]1(C(=O)[O-])CCC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000079487989 363608179 /nfs/dbraw/zinc/60/81/79/363608179.db2.gz LWBMHCQAJGHYKI-ZDUSSCGKSA-N 0 1 264.281 2.034 20 5 CEBDMN CC(C)(C)CC(C)(C)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000136276843 366506043 /nfs/dbraw/zinc/50/60/43/366506043.db2.gz GLGWUSGJTHOGKH-UHFFFAOYSA-N 0 1 268.317 2.263 20 5 CEBDMN CCCC1CCC(NC(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC000138275160 366552041 /nfs/dbraw/zinc/55/20/41/366552041.db2.gz VEECVFXVAWULLM-UHFFFAOYSA-N 0 1 280.328 2.407 20 5 CEBDMN CN(CCc1cccc([N+](=O)[O-])c1)Cc1cncnc1 ZINC000338958898 366591077 /nfs/dbraw/zinc/59/10/77/366591077.db2.gz VGQARIDZFOLCHN-UHFFFAOYSA-N 0 1 272.308 2.059 20 5 CEBDMN Cc1ccc([C@@H](C)NC[C@H](O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000151220390 366630884 /nfs/dbraw/zinc/63/08/84/366630884.db2.gz OUDJSICTZXCZRV-KCJUWKMLSA-N 0 1 292.257 2.477 20 5 CEBDMN Cc1c([C@H](C)[NH2+]Cc2cc([O-])ccc2[N+](=O)[O-])cnn1C ZINC000339086518 366647070 /nfs/dbraw/zinc/64/70/70/366647070.db2.gz NEZQNXOWIOWLSA-VIFPVBQESA-N 0 1 290.323 2.193 20 5 CEBDMN Cc1c([C@H](C)NCc2cc(O)ccc2[N+](=O)[O-])cnn1C ZINC000339086518 366647074 /nfs/dbraw/zinc/64/70/74/366647074.db2.gz NEZQNXOWIOWLSA-VIFPVBQESA-N 0 1 290.323 2.193 20 5 CEBDMN C[C@H](C(=O)[O-])[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000579496901 366656728 /nfs/dbraw/zinc/65/67/28/366656728.db2.gz VJHDRQMBUUHFCM-ZYHUDNBSSA-N 0 1 278.308 2.247 20 5 CEBDMN O=C([O-])[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000093633534 364204582 /nfs/dbraw/zinc/20/45/82/364204582.db2.gz JTEHJYLVOBEVLY-MRVPVSSYSA-N 0 1 284.699 2.155 20 5 CEBDMN CCN1CCCC[C@@H]1C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000104333494 364692439 /nfs/dbraw/zinc/69/24/39/364692439.db2.gz JAQPEHYHHHHXFO-CQSZACIVSA-N 0 1 291.351 2.085 20 5 CEBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCCC[C@H]1c1ccccc1 ZINC000364000873 296073528 /nfs/dbraw/zinc/07/35/28/296073528.db2.gz KUVQWBDDKANGLR-HZSPNIEDSA-N 0 1 274.320 2.405 20 5 CEBDMN O=[N+]([O-])c1ccc(N[C@H]2CCN(Cc3cccnc3)C2)nc1 ZINC000118867092 365186584 /nfs/dbraw/zinc/18/65/84/365186584.db2.gz YBEMBHJCXDVYLT-ZDUSSCGKSA-N 0 1 299.334 2.071 20 5 CEBDMN C[C@H](CCc1ccccc1)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000159025465 366870629 /nfs/dbraw/zinc/87/06/29/366870629.db2.gz PDPHLDILCALGPI-SNVBAGLBSA-N 0 1 288.307 2.069 20 5 CEBDMN COc1cc(CN2CC[C@H](C)[C@H](OC)C2)ccc1[N+](=O)[O-] ZINC000342721533 367499443 /nfs/dbraw/zinc/49/94/43/367499443.db2.gz NKKKWSPZEQZCLT-XHDPSFHLSA-N 0 1 294.351 2.460 20 5 CEBDMN Cc1cc(NCCc2nc[nH]n2)c2cccc([N+](=O)[O-])c2n1 ZINC000345076900 368148074 /nfs/dbraw/zinc/14/80/74/368148074.db2.gz RKDMIARCUGDQOE-UHFFFAOYSA-N 0 1 298.306 2.224 20 5 CEBDMN C[C@H](NCCn1cc([N+](=O)[O-])cn1)c1cccc(F)c1F ZINC000181951378 368509216 /nfs/dbraw/zinc/50/92/16/368509216.db2.gz MTPSDLHYIHSDKN-VIFPVBQESA-N 0 1 296.277 2.420 20 5 CEBDMN C[C@@H](NCCn1cc([N+](=O)[O-])cn1)c1cccc(F)c1F ZINC000181951391 368509544 /nfs/dbraw/zinc/50/95/44/368509544.db2.gz MTPSDLHYIHSDKN-SECBINFHSA-N 0 1 296.277 2.420 20 5 CEBDMN CCOC(=O)C[C@@H](C)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000182644690 368574996 /nfs/dbraw/zinc/57/49/96/368574996.db2.gz UKKAUNAONYXFTM-LLVKDONJSA-N 0 1 280.324 2.368 20 5 CEBDMN CCN(C)C(=O)[C@@H](C)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000188474178 369362049 /nfs/dbraw/zinc/36/20/49/369362049.db2.gz LXGNTFWDDGNCKR-NWDGAFQWSA-N 0 1 293.367 2.421 20 5 CEBDMN CCc1[nH]nc(C(=O)N2CCC[C@H](C)[C@H]2C)c1[N+](=O)[O-] ZINC000192619417 369835961 /nfs/dbraw/zinc/83/59/61/369835961.db2.gz UPHMJVHSDILLGI-DTWKUNHWSA-N 0 1 280.328 2.141 20 5 CEBDMN CCc1[nH]nc(C(=O)N2CC[C@H](C)[C@@H]2CC)c1[N+](=O)[O-] ZINC000192906575 369870587 /nfs/dbraw/zinc/87/05/87/369870587.db2.gz CRWPXDZSKFIPEY-WPRPVWTQSA-N 0 1 280.328 2.141 20 5 CEBDMN CCN(C)C(=O)CN[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000193308259 369922996 /nfs/dbraw/zinc/92/29/96/369922996.db2.gz OVFSTVPARDNIEV-AWEZNQCLSA-N 0 1 291.351 2.040 20 5 CEBDMN Cc1nc([C@H](C)Nc2ncnc3cccc([N+](=O)[O-])c32)n[nH]1 ZINC000343995762 217008692 /nfs/dbraw/zinc/00/86/92/217008692.db2.gz ZTBBIUILVXEHRQ-ZETCQYMHSA-N 0 1 299.294 2.138 20 5 CEBDMN Cc1cccc(C)c1[C@H](C)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000355179490 370535813 /nfs/dbraw/zinc/53/58/13/370535813.db2.gz YVACOVRIIOVHKE-JTQLQIEISA-N 0 1 288.307 2.426 20 5 CEBDMN CCOc1ccc([N+](=O)[O-])cc1CN[C@H]1CCCOC1 ZINC000236859251 370640720 /nfs/dbraw/zinc/64/07/20/370640720.db2.gz LLYNBXXWHLRUFJ-LBPRGKRZSA-N 0 1 280.324 2.262 20 5 CEBDMN Cc1cc2cc(CNC(=O)c3n[nH]cc3[N+](=O)[O-])ccc2[nH]1 ZINC000344040098 217022406 /nfs/dbraw/zinc/02/24/06/217022406.db2.gz CAPFWVWROYCQHC-UHFFFAOYSA-N 0 1 299.290 2.038 20 5 CEBDMN O=C([O-])CCC[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000262771369 371908385 /nfs/dbraw/zinc/90/83/85/371908385.db2.gz MGDWSBHMDMSWPI-UHFFFAOYSA-N 0 1 278.308 2.424 20 5 CEBDMN Cc1[nH]nc(C(=O)N2CCC[C@H]3CCC[C@@H]32)c1[N+](=O)[O-] ZINC000266260844 372041156 /nfs/dbraw/zinc/04/11/56/372041156.db2.gz VAAKVHJLFSNFGE-ZJUUUORDSA-N 0 1 278.312 2.031 20 5 CEBDMN CCOCCN1CCN(c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000266457639 372047785 /nfs/dbraw/zinc/04/77/85/372047785.db2.gz YDWYDITUJYCNSG-UHFFFAOYSA-N 0 1 293.367 2.062 20 5 CEBDMN CCCN(C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-])C1CC1 ZINC000269326252 372420629 /nfs/dbraw/zinc/42/06/29/372420629.db2.gz CXFWRNZRMZQPRZ-UHFFFAOYSA-N 0 1 280.328 2.456 20 5 CEBDMN COc1ccc([C@@H]2CCCN2C(=O)[C@H]2CC2[N+](=O)[O-])cc1 ZINC000363010074 372613873 /nfs/dbraw/zinc/61/38/73/372613873.db2.gz DZWOHHCYWWNDIY-MELADBBJSA-N 0 1 290.319 2.024 20 5 CEBDMN C[C@@H]1CSc2ccccc2CN1C(=O)[C@H]1CC1[N+](=O)[O-] ZINC000364371416 372737255 /nfs/dbraw/zinc/73/72/55/372737255.db2.gz WITHHLIGPCQVPY-USWWRNFRSA-N 0 1 292.360 2.175 20 5 CEBDMN O=C(Nc1cc([N+](=O)[O-])ccc1F)C12CCCN1CCC2 ZINC000365989278 372975422 /nfs/dbraw/zinc/97/54/22/372975422.db2.gz NRNVVDWPEKCCCT-UHFFFAOYSA-N 0 1 293.298 2.301 20 5 CEBDMN O=C(N[C@@H]1CC[C@H](c2ccccc2F)C1)[C@H]1CC1[N+](=O)[O-] ZINC000369532363 373446799 /nfs/dbraw/zinc/44/67/99/373446799.db2.gz OKPYBSOBANMNGK-HEQLZXTPSA-N 0 1 292.310 2.243 20 5 CEBDMN Cc1ccccc1[C@]1(F)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000370005461 373554773 /nfs/dbraw/zinc/55/47/73/373554773.db2.gz GOMLSDKXBWYLEQ-KYOSRNDESA-N 0 1 292.310 2.057 20 5 CEBDMN Cc1ccc(CN2CCOC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000370183562 373599673 /nfs/dbraw/zinc/59/96/73/373599673.db2.gz LESXMLQHYYLNRI-LLVKDONJSA-N 0 1 264.325 2.372 20 5 CEBDMN O=C([C@H]1CC1[N+](=O)[O-])N1CC=C(c2ccc(F)cc2)CC1 ZINC000371435325 373882699 /nfs/dbraw/zinc/88/26/99/373882699.db2.gz CDVQFHLOBIPIGJ-KBPBESRZSA-N 0 1 290.294 2.107 20 5 CEBDMN CCc1nc(CN[C@@H](C)c2ccccc2[N+](=O)[O-])n[nH]1 ZINC000274571624 373965452 /nfs/dbraw/zinc/96/54/52/373965452.db2.gz FQAOZEUTEZVKNE-VIFPVBQESA-N 0 1 275.312 2.126 20 5 CEBDMN C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000371923654 374005435 /nfs/dbraw/zinc/00/54/35/374005435.db2.gz JYAWRGOBDMVRQL-ZRJCITRHSA-N 0 1 274.320 2.056 20 5 CEBDMN C[C@@H]1C[C@H](c2ccccc2F)N(C(=O)[C@H]2CC2[N+](=O)[O-])C1 ZINC000371779605 373977517 /nfs/dbraw/zinc/97/75/17/373977517.db2.gz BQRNIEJCDIAJFC-QEGRKFQGSA-N 0 1 292.310 2.400 20 5 CEBDMN CCOc1cc(CN(C)[C@H]2CCOC2)ccc1[N+](=O)[O-] ZINC000276952787 374357723 /nfs/dbraw/zinc/35/77/23/374357723.db2.gz UMSCITOSVFBBEM-LBPRGKRZSA-N 0 1 280.324 2.214 20 5 CEBDMN CCOc1cc(CN2CCC(C)(O)CC2)ccc1[N+](=O)[O-] ZINC000276920578 374346702 /nfs/dbraw/zinc/34/67/02/374346702.db2.gz OZTVJKJGHQDWBK-UHFFFAOYSA-N 0 1 294.351 2.340 20 5 CEBDMN O=[N+]([O-])c1ccccc1-c1noc([C@H]2C[C@@H]2c2nc[nH]n2)n1 ZINC000377424174 374852935 /nfs/dbraw/zinc/85/29/35/374852935.db2.gz ZMBQOYAXBHLVKA-IUCAKERBSA-N 0 1 298.262 2.034 20 5 CEBDMN C[C@H](c1cccc([N+](=O)[O-])c1)N1C[C@@H](O)C(C)(C)C1 ZINC000279710035 374961647 /nfs/dbraw/zinc/96/16/47/374961647.db2.gz HWIGJVFNZJMOFB-ZWNOBZJWSA-N 0 1 264.325 2.359 20 5 CEBDMN CC[C@H]1CCCCCN1C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000408213660 375431676 /nfs/dbraw/zinc/43/16/76/375431676.db2.gz IGFOIFADICSHPZ-JTQLQIEISA-N 0 1 280.328 2.421 20 5 CEBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCCC12CCC2 ZINC000408441269 375482182 /nfs/dbraw/zinc/48/21/82/375482182.db2.gz GZVLKGUQYDHMOZ-UHFFFAOYSA-N 0 1 276.292 2.459 20 5 CEBDMN COCC[N@H+]1CC[C@H](Nc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000286429381 375950078 /nfs/dbraw/zinc/95/00/78/375950078.db2.gz BNTKPBQDERWXLG-NSHDSACASA-N 0 1 299.758 2.381 20 5 CEBDMN O=C(NC(C1CCC1)C1CCC1)c1n[nH]cc1[N+](=O)[O-] ZINC000286664043 376030193 /nfs/dbraw/zinc/03/01/93/376030193.db2.gz HKSLJPYDVDLQAW-UHFFFAOYSA-N 0 1 278.312 2.017 20 5 CEBDMN C[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2F)[C@H]1CO ZINC000305744353 376469465 /nfs/dbraw/zinc/46/94/65/376469465.db2.gz UNXSJHBZXZBHDB-YGRLFVJLSA-N 0 1 282.315 2.327 20 5 CEBDMN Cc1c(C[N@H+]2CC[C@H](O)C2(C)C)cccc1[N+](=O)[O-] ZINC000311802945 376687462 /nfs/dbraw/zinc/68/74/62/376687462.db2.gz BWIFCRROURCOFI-ZDUSSCGKSA-N 0 1 264.325 2.248 20 5 CEBDMN COc1cc([N+](=O)[O-])ccc1CN1C[C@H](C)C[C@H](CO)C1 ZINC000420946959 376746039 /nfs/dbraw/zinc/74/60/39/376746039.db2.gz SRBNBTWYAFPLHE-NEPJUHHUSA-N 0 1 294.351 2.054 20 5 CEBDMN C[N@@H+](Cc1cc([O-])ccc1[N+](=O)[O-])[C@@H]1CCSC1 ZINC000330577867 377192829 /nfs/dbraw/zinc/19/28/29/377192829.db2.gz NPJCUSNCKQSIOE-SNVBAGLBSA-N 0 1 268.338 2.238 20 5 CEBDMN CCC[C@H]1CCCN(Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000330999942 377232263 /nfs/dbraw/zinc/23/22/63/377232263.db2.gz ZWFARXXNZNBIMM-NSHDSACASA-N 0 1 266.345 2.340 20 5 CEBDMN CC1CCC(N(C)Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000331058986 377262027 /nfs/dbraw/zinc/26/20/27/377262027.db2.gz MQJOPAXPEGQJNS-UHFFFAOYSA-N 0 1 266.345 2.339 20 5 CEBDMN CCN(CCO)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000293128658 377437623 /nfs/dbraw/zinc/43/76/23/377437623.db2.gz POXFICBVELLLQK-UHFFFAOYSA-N 0 1 292.257 2.428 20 5 CEBDMN Cc1nc(CN[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)n[nH]1 ZINC000293296313 377509189 /nfs/dbraw/zinc/50/91/89/377509189.db2.gz URKLJIBSKWNBGX-VIFPVBQESA-N 0 1 275.312 2.181 20 5 CEBDMN C[C@@H]1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@@]1(C)C(=O)[O-] ZINC000565111674 377564780 /nfs/dbraw/zinc/56/47/80/377564780.db2.gz NDKMEROPLUFLRF-IAQYHMDHSA-N 0 1 292.335 2.180 20 5 CEBDMN C[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H](C)[N@@H+]1C ZINC000294306767 377973718 /nfs/dbraw/zinc/97/37/18/377973718.db2.gz URBVKRZLNKQSDN-PHIMTYICSA-N 0 1 292.339 2.151 20 5 CEBDMN C[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H](C)N1C ZINC000294306767 377973723 /nfs/dbraw/zinc/97/37/23/377973723.db2.gz URBVKRZLNKQSDN-PHIMTYICSA-N 0 1 292.339 2.151 20 5 CEBDMN Cc1nc(NC[C@@H](C)[N@H+]2CCC[C@H](C)C2)ncc1[N+](=O)[O-] ZINC000296541903 378568778 /nfs/dbraw/zinc/56/87/78/378568778.db2.gz NYISJZJAXLRNER-WDEREUQCSA-N 0 1 293.371 2.226 20 5 CEBDMN CCCCNC(=O)CN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000296664531 378609672 /nfs/dbraw/zinc/60/96/72/378609672.db2.gz FUDPPDULRXOBBS-NSHDSACASA-N 0 1 279.340 2.162 20 5 CEBDMN O=[N+]([O-])c1cnn(CCN2CCC[C@H]2c2cccnc2)c1 ZINC000346989680 218081445 /nfs/dbraw/zinc/08/14/45/218081445.db2.gz SBOSEKCXAKVHBD-AWEZNQCLSA-N 0 1 287.323 2.023 20 5 CEBDMN C[C@]1(CNCc2ccc([N+](=O)[O-])cc2Cl)CCC(=O)N1 ZINC000453585914 378912114 /nfs/dbraw/zinc/91/21/14/378912114.db2.gz HUVKQFMVSKTXEL-CYBMUJFWSA-N 0 1 297.742 2.007 20 5 CEBDMN C[C@H](c1ccccc1[N+](=O)[O-])N1CCC[C@@H](O)C1 ZINC000266530181 190264089 /nfs/dbraw/zinc/26/40/89/190264089.db2.gz LTYWIZHASTUFCP-GHMZBOCLSA-N 0 1 250.298 2.113 20 5 CEBDMN Cc1[nH]nc(C(=O)N(C)[C@H](C)C(C)(C)C)c1[N+](=O)[O-] ZINC000523685398 379604617 /nfs/dbraw/zinc/60/46/17/379604617.db2.gz ZSUJHTBORKRSIX-MRVPVSSYSA-N 0 1 268.317 2.133 20 5 CEBDMN CC[C@@H]1CN(C)CCN1c1cc(C)ccc1[N+](=O)[O-] ZINC000555241242 380816584 /nfs/dbraw/zinc/81/65/84/380816584.db2.gz JPDUJBYPYJCCLO-GFCCVEGCSA-N 0 1 263.341 2.434 20 5 CEBDMN O=C([O-])[C@]12CCC[C@H]1C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C2 ZINC000280916207 195027847 /nfs/dbraw/zinc/02/78/47/195027847.db2.gz DTCCIGJKOCNNKF-WFASDCNBSA-N 0 1 290.319 2.282 20 5 CEBDMN COCCO[C@@H]1CCN([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000275560665 285108779 /nfs/dbraw/zinc/10/87/79/285108779.db2.gz NRSQXRMOXSIISF-CHWSQXEVSA-N 0 1 294.351 2.393 20 5 CEBDMN O=[N+]([O-])c1cc(CNC[C@@H](O)Cc2ccccc2)cs1 ZINC000237955648 131068264 /nfs/dbraw/zinc/06/82/64/131068264.db2.gz XQOWBQXRFSCLIN-ZDUSSCGKSA-N 0 1 292.360 2.350 20 5 CEBDMN C[N@H+]1CCC[C@@H](CNc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC000211452103 394448368 /nfs/dbraw/zinc/44/83/68/394448368.db2.gz LGBQSLPIEBAXHB-JTQLQIEISA-N 0 1 293.323 2.047 20 5 CEBDMN COC(=O)[C@H](C)CSCc1cc(O)ccc1[N+](=O)[O-] ZINC000412989223 394452899 /nfs/dbraw/zinc/45/28/99/394452899.db2.gz CAOCCXRSSCRECC-MRVPVSSYSA-N 0 1 285.321 2.343 20 5 CEBDMN O=[N+]([O-])c1ccc([O-])cc1C[N@@H+]1CCC[C@@H](CCO)CC1 ZINC000421024459 394469294 /nfs/dbraw/zinc/46/92/94/394469294.db2.gz XIYDQRTXNXEDAS-GFCCVEGCSA-N 0 1 294.351 2.285 20 5 CEBDMN CO[C@H]1CCN([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000267723400 394683983 /nfs/dbraw/zinc/68/39/83/394683983.db2.gz YXEZWOZUHYNMMS-MFKMUULPSA-N 0 1 250.298 2.377 20 5 CEBDMN C[C@@H]1CN(C)CCN1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000360027016 394784451 /nfs/dbraw/zinc/78/44/51/394784451.db2.gz CGEBRFWLJMJHDW-SNVBAGLBSA-N 0 1 283.759 2.384 20 5 CEBDMN Cc1cc2[nH]ncc2cc1NC(=O)c1ccc([N+](=O)[O-])n1C ZINC000360445923 394800863 /nfs/dbraw/zinc/80/08/63/394800863.db2.gz SNRUYVQQMNZLBO-UHFFFAOYSA-N 0 1 299.290 2.370 20 5 CEBDMN Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000363172091 394874512 /nfs/dbraw/zinc/87/45/12/394874512.db2.gz HYIBWQNFLWBCGD-GRYCIOLGSA-N 0 1 292.335 2.383 20 5 CEBDMN Cc1ccc([C@@H]2CCCN(C(=O)[C@H]3CC3[N+](=O)[O-])C2)cc1 ZINC000370801246 395014157 /nfs/dbraw/zinc/01/41/57/395014157.db2.gz KIJPIAFVNAIEBH-ILXRZTDVSA-N 0 1 288.347 2.366 20 5 CEBDMN CS[C@@H]1CCCCN(Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000370879849 395020844 /nfs/dbraw/zinc/02/08/44/395020844.db2.gz ZZYZBEOQPQKCHM-SNVBAGLBSA-N 0 1 284.385 2.046 20 5 CEBDMN CCN(C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-])C1CCC1 ZINC000433771723 395244929 /nfs/dbraw/zinc/24/49/29/395244929.db2.gz UDBXJWNLHZWFRP-UHFFFAOYSA-N 0 1 280.328 2.456 20 5 CEBDMN CCC[C@H](C(=O)[O-])[N@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000519713614 395213587 /nfs/dbraw/zinc/21/35/87/395213587.db2.gz QZRBNOULNJDKHU-GFCCVEGCSA-N 0 1 294.307 2.043 20 5 CEBDMN CCc1[nH]nc(C(=O)N(C)[C@H]2CC[C@H](C)C2)c1[N+](=O)[O-] ZINC000444403495 395430933 /nfs/dbraw/zinc/43/09/33/395430933.db2.gz NOSWALMYAYNGRC-IUCAKERBSA-N 0 1 280.328 2.141 20 5 CEBDMN CC(C)C[C@H](N)c1noc(-c2ccc([N+](=O)[O-])cn2)n1 ZINC000574451738 395630073 /nfs/dbraw/zinc/63/00/73/395630073.db2.gz LCUMHRHGTZVSAV-VIFPVBQESA-N 0 1 277.284 2.086 20 5 CEBDMN O=C(N[C@H]1CCC[C@@H]2C[C@@H]21)c1cc(O)cc([N+](=O)[O-])c1 ZINC000458268847 395640868 /nfs/dbraw/zinc/64/08/68/395640868.db2.gz ZFWPYGWMXYLGOQ-JCOFBHIZSA-N 0 1 276.292 2.219 20 5 CEBDMN O=C(NCc1ccc(C2CC2)cc1)c1n[nH]cc1[N+](=O)[O-] ZINC000191328757 153167366 /nfs/dbraw/zinc/16/73/66/153167366.db2.gz ZVLDJGZBHPXRCH-UHFFFAOYSA-N 0 1 286.291 2.125 20 5 CEBDMN C[C@@H](Nc1c2ccccc2ncc1[N+](=O)[O-])c1nnc[nH]1 ZINC000230432769 153394861 /nfs/dbraw/zinc/39/48/61/153394861.db2.gz JRUSFXHIZTZNJB-MRVPVSSYSA-N 0 1 284.279 2.434 20 5 CEBDMN Cc1ccc(C[N@@H+]2C[C@H](C(=O)[O-])C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000263102894 154018319 /nfs/dbraw/zinc/01/83/19/154018319.db2.gz XDVVAJGQCFIXNW-GXFFZTMASA-N 0 1 292.335 2.446 20 5 CEBDMN Cc1c(C[N@@H+]2C[C@H](C(=O)[O-])C[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000263110676 154022209 /nfs/dbraw/zinc/02/22/09/154022209.db2.gz BSHMCHXHQXQQHP-GXFFZTMASA-N 0 1 292.335 2.446 20 5 CEBDMN O=C([O-])[C@@H]1CCC[N@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000263406673 154080883 /nfs/dbraw/zinc/08/08/83/154080883.db2.gz KAOWZRWEGLVHCN-YIALFULDSA-N 0 1 276.292 2.157 20 5 CEBDMN CCCN1CCCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000363146462 156005233 /nfs/dbraw/zinc/00/52/33/156005233.db2.gz ASUDELROFCQVOL-UHFFFAOYSA-N 0 1 297.380 2.214 20 5 CEBDMN Cc1nccc(-c2ccc(NC(=O)[C@H]3C[C@@H]3[N+](=O)[O-])cc2)n1 ZINC000368751501 156399019 /nfs/dbraw/zinc/39/90/19/156399019.db2.gz BXYDGSUGRDJBNT-JSGCOSHPSA-N 0 1 298.302 2.056 20 5 CEBDMN COc1ccc(C[N@H+]2CCCC[C@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC000035297357 172111008 /nfs/dbraw/zinc/11/10/08/172111008.db2.gz MERDNJAHHVEULI-NSHDSACASA-N 0 1 294.307 2.043 20 5 CEBDMN C[C@@H]1COCC[C@@H]1NCc1c(F)cc([N+](=O)[O-])cc1F ZINC000285446466 196287609 /nfs/dbraw/zinc/28/76/09/196287609.db2.gz XSMXNFPALRWHQB-OQPBUACISA-N 0 1 286.278 2.388 20 5 CEBDMN CO[C@H](C)CN(C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000285564342 196328007 /nfs/dbraw/zinc/32/80/07/196328007.db2.gz HGQOWLYTLXPEMT-SECBINFHSA-N 0 1 256.277 2.201 20 5 CEBDMN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cccnc1 ZINC000077165946 177229341 /nfs/dbraw/zinc/22/93/41/177229341.db2.gz FYPOEEXDJWTOBG-UHFFFAOYSA-N 0 1 293.304 2.099 20 5 CEBDMN CC1=C[C@@H](C)CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000435998807 419410988 /nfs/dbraw/zinc/41/09/88/419410988.db2.gz GZDSGKBGENNTSS-SECBINFHSA-N 0 1 276.292 2.339 20 5 CEBDMN CCCNC(=O)[C@@H](C)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000035019436 270224765 /nfs/dbraw/zinc/22/47/65/270224765.db2.gz MXUQGSNWBOSCPI-GHMZBOCLSA-N 0 1 279.340 2.160 20 5 CEBDMN Cc1cnn(C)c1CN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000285504615 270331686 /nfs/dbraw/zinc/33/16/86/270331686.db2.gz QHSFGFQLTUTKSY-NSHDSACASA-N 0 1 274.324 2.488 20 5 CEBDMN O=[N+]([O-])c1cc(Cl)ccc1N1CC[C@H](c2nc[nH]n2)C1 ZINC000425281900 271152820 /nfs/dbraw/zinc/15/28/20/271152820.db2.gz JPLGCQYSIUWQOS-QMMMGPOBSA-N 0 1 293.714 2.360 20 5 CEBDMN Cn1cncc1CN[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000289623476 274900144 /nfs/dbraw/zinc/90/01/44/274900144.db2.gz DTPZYQKRXVLKMP-OAHLLOKOSA-N 0 1 286.335 2.496 20 5 CEBDMN CC1(C)CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C[C@H]1c1ccccc1 ZINC000372113353 276125729 /nfs/dbraw/zinc/12/57/29/276125729.db2.gz JBDZRYKIWBFNOW-HZSPNIEDSA-N 0 1 288.347 2.304 20 5 CEBDMN CC(C)(O)CN(Cc1ccc([N+](=O)[O-])cc1F)C1CC1 ZINC000275062768 277314506 /nfs/dbraw/zinc/31/45/06/277314506.db2.gz QTNKLKQIVBYLRU-UHFFFAOYSA-N 0 1 282.315 2.469 20 5 CEBDMN C[C@@H]1c2ccsc2CCN1CCn1ccc([N+](=O)[O-])n1 ZINC000358281219 279144030 /nfs/dbraw/zinc/14/40/30/279144030.db2.gz YZYVXDTYTGVPIO-SNVBAGLBSA-N 0 1 292.364 2.472 20 5 CEBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@@H]1c1ccccc1 ZINC000363323489 280112873 /nfs/dbraw/zinc/11/28/73/280112873.db2.gz ZHBJAYMPHUZYCS-JHJVBQTASA-N 0 1 260.293 2.015 20 5 CEBDMN Cc1cc(C)c([N+](=O)[O-])c(N2CCN3CCCC[C@H]3C2)n1 ZINC000408172546 280398680 /nfs/dbraw/zinc/39/86/80/280398680.db2.gz XYSFIJJAQZVLLX-ZDUSSCGKSA-N 0 1 290.367 2.281 20 5 CEBDMN Cc1ccnc(N2CCN(C)[C@@H](C(C)C)C2)c1[N+](=O)[O-] ZINC000487092549 290331583 /nfs/dbraw/zinc/33/15/83/290331583.db2.gz AYVXSGKMAIMVFQ-GFCCVEGCSA-N 0 1 278.356 2.075 20 5 CEBDMN CCN(CC(=O)Nc1ccccc1[N+](=O)[O-])C1CCC1 ZINC000533439013 298164460 /nfs/dbraw/zinc/16/44/60/298164460.db2.gz BNVUBXQEIYCHIC-UHFFFAOYSA-N 0 1 277.324 2.408 20 5 CEBDMN C[C@@H](N[C@H]1CCCc2ccc([N+](=O)[O-])cc21)C(=O)N(C)C ZINC000577583074 314391340 /nfs/dbraw/zinc/39/13/40/314391340.db2.gz VXSPWAGJKVFCIY-YGRLFVJLSA-N 0 1 291.351 2.039 20 5 CEBDMN COC[C@@H](NCc1cc(OC)c(F)cc1[N+](=O)[O-])C1CC1 ZINC000184318678 522362208 /nfs/dbraw/zinc/36/22/08/522362208.db2.gz ZZOQOGYBUUFTAJ-GFCCVEGCSA-N 0 1 298.314 2.257 20 5 CEBDMN C[C@@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)N1CCCC1 ZINC000056197201 525613721 /nfs/dbraw/zinc/61/37/21/525613721.db2.gz VDPBKCSTQLPPNL-NWDGAFQWSA-N 0 1 291.351 2.256 20 5 CEBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@H]1Cc1cccc(F)c1 ZINC000364486617 526509153 /nfs/dbraw/zinc/50/91/53/526509153.db2.gz UPILQWBJLDJXOF-BFHYXJOUSA-N 0 1 292.310 2.024 20 5 CEBDMN Cc1nn(C[N@H+]2CCC[C@@H]2C2CC2)c(C)c1[N+](=O)[O-] ZINC000728562290 574467484 /nfs/dbraw/zinc/46/74/84/574467484.db2.gz KRWJTGXDQZADQD-GFCCVEGCSA-N 0 1 264.329 2.240 20 5 CEBDMN Cc1nn(CN2CCC[C@@H]2C2CC2)c(C)c1[N+](=O)[O-] ZINC000728562290 574467485 /nfs/dbraw/zinc/46/74/85/574467485.db2.gz KRWJTGXDQZADQD-GFCCVEGCSA-N 0 1 264.329 2.240 20 5 CEBDMN O=C([O-])C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C1CC1 ZINC000738607264 574512433 /nfs/dbraw/zinc/51/24/33/574512433.db2.gz GIICWHAGKFFEDO-UHFFFAOYSA-N 0 1 284.699 2.297 20 5 CEBDMN CCc1cc(CNC(=O)c2cc([N+](=O)[O-])ccc2C)n[nH]1 ZINC000732791623 574630560 /nfs/dbraw/zinc/63/05/60/574630560.db2.gz QGDZSJHEXSDZCM-UHFFFAOYSA-N 0 1 288.307 2.119 20 5 CEBDMN Cc1cccc2c1CCN(CCn1ccc([N+](=O)[O-])n1)C2 ZINC000747959834 575177179 /nfs/dbraw/zinc/17/71/79/575177179.db2.gz UVQMDKJMFOLUAX-UHFFFAOYSA-N 0 1 286.335 2.158 20 5 CEBDMN Cc1nn(CN(C)C2CCC2)c2ncc([N+](=O)[O-])cc12 ZINC000749957793 575241802 /nfs/dbraw/zinc/24/18/02/575241802.db2.gz CEXAYXVGBPKPFU-UHFFFAOYSA-N 0 1 275.312 2.090 20 5 CEBDMN O=[N+]([O-])c1cccnc1NCc1n[nH]c(-c2ccccc2)n1 ZINC000750607828 575270372 /nfs/dbraw/zinc/27/03/72/575270372.db2.gz FTLJIPHUOSLDMX-UHFFFAOYSA-N 0 1 296.290 2.387 20 5 CEBDMN O=[N+]([O-])c1cccnc1NCc1nc(-c2ccccc2)n[nH]1 ZINC000750607828 575270373 /nfs/dbraw/zinc/27/03/73/575270373.db2.gz FTLJIPHUOSLDMX-UHFFFAOYSA-N 0 1 296.290 2.387 20 5 CEBDMN C[C@@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C[C@@H]1C(=O)[O-] ZINC000828455997 601536885 /nfs/dbraw/zinc/53/68/85/601536885.db2.gz HZSCZXBJDFWIIC-KCJUWKMLSA-N 0 1 298.726 2.401 20 5 CEBDMN O=C([O-])[C@@H]1CCC[N@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000821509166 604529652 /nfs/dbraw/zinc/52/96/52/604529652.db2.gz KAOWZRWEGLVHCN-RJNRQISESA-N 0 1 276.292 2.157 20 5 CEBDMN CC(C)NCc1cn(-c2ccc(Cl)cc2[N+](=O)[O-])nn1 ZINC000090299981 622639677 /nfs/dbraw/zinc/63/96/77/622639677.db2.gz NSUZECOVFOVEBA-UHFFFAOYSA-N 0 1 295.730 2.327 20 5 CEBDMN CN1CCC[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000168615211 625030538 /nfs/dbraw/zinc/03/05/38/625030538.db2.gz IAPSEWRGQSHQMB-SNVBAGLBSA-N 0 1 297.742 2.072 20 5 CEBDMN C[C@@H]1CN(c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C[C@H](C)N1C ZINC000893990437 629072791 /nfs/dbraw/zinc/07/27/91/629072791.db2.gz KUNBYYCKNYMWKN-AOOOYVTPSA-N 0 1 294.311 2.032 20 5 CEBDMN O=[N+]([O-])c1ccc(CNC2CSC2)cc1Cl ZINC000877634300 629208262 /nfs/dbraw/zinc/20/82/62/629208262.db2.gz HSDGTSUETPMRMG-UHFFFAOYSA-N 0 1 258.730 2.453 20 5 CEBDMN Cc1ccc([N+](=O)[O-])c(N2CCN(C)[C@H](C(C)(C)C)C2)n1 ZINC000895100350 629897186 /nfs/dbraw/zinc/89/71/86/629897186.db2.gz AYYSKELFWPQZHH-ZDUSSCGKSA-N 0 1 292.383 2.465 20 5 CEBDMN Cc1n[nH]c(C2CN(c3cc(Cl)ccc3[N+](=O)[O-])C2)n1 ZINC000895329737 630118794 /nfs/dbraw/zinc/11/87/94/630118794.db2.gz RQBSLLATZMRPEB-UHFFFAOYSA-N 0 1 293.714 2.279 20 5 CEBDMN Cc1nc(C2CN(c3cc(Cl)ccc3[N+](=O)[O-])C2)n[nH]1 ZINC000895329737 630118798 /nfs/dbraw/zinc/11/87/98/630118798.db2.gz RQBSLLATZMRPEB-UHFFFAOYSA-N 0 1 293.714 2.279 20 5 CEBDMN Cc1cnc(N2CCN(C)C[C@@H]2CC(C)C)c([N+](=O)[O-])c1 ZINC000896650670 630625179 /nfs/dbraw/zinc/62/51/79/630625179.db2.gz KTHMULSNJWSPQU-ZDUSSCGKSA-N 0 1 292.383 2.465 20 5 CEBDMN O=C(OCCCc1cscn1)c1ccc([N+](=O)[O-])[nH]1 ZINC000799661547 631056851 /nfs/dbraw/zinc/05/68/51/631056851.db2.gz QRHJCJZNGISEPL-UHFFFAOYSA-N 0 1 281.293 2.169 20 5 CEBDMN O=[N+]([O-])c1ccc([C@H]2CCCN(Cn3cnnc3)C2)cc1 ZINC000840127017 631909896 /nfs/dbraw/zinc/90/98/96/631909896.db2.gz QOOKLQAENYYPHZ-ZDUSSCGKSA-N 0 1 287.323 2.023 20 5 CEBDMN C[C@@]1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCCc2ccccc21 ZINC000840309061 632770579 /nfs/dbraw/zinc/77/05/79/632770579.db2.gz FXSQLLFVFOVXPC-UXIGCNINSA-N 0 1 274.320 2.020 20 5 CEBDMN O=[N+]([O-])c1cnn(CN2CC[C@@H](C3CCCC3)C2)c1 ZINC000817368848 633642620 /nfs/dbraw/zinc/64/26/20/633642620.db2.gz MTEGHOPHHUJMKA-GFCCVEGCSA-N 0 1 264.329 2.261 20 5 CEBDMN Cc1cccc(C(C)(C)NC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC000840357707 633908447 /nfs/dbraw/zinc/90/84/47/633908447.db2.gz DPEGNNOHXDBKJO-VXGBXAGGSA-N 0 1 262.309 2.012 20 5 CEBDMN O=C([O-])[C@]1(F)CC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000901513773 634170821 /nfs/dbraw/zinc/17/08/21/634170821.db2.gz DPEKGLCMPMXDHO-MFBWXBCUSA-N 0 1 294.282 2.107 20 5 CEBDMN O=C([O-])[C@]1(F)CC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000901513773 634170824 /nfs/dbraw/zinc/17/08/24/634170824.db2.gz DPEKGLCMPMXDHO-MFBWXBCUSA-N 0 1 294.282 2.107 20 5 CEBDMN C[C@H](C[N@@H+](C)C/C=C\c1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC000901598279 634205338 /nfs/dbraw/zinc/20/53/38/634205338.db2.gz LZNITNDUQPQPNJ-JPVGGKMYSA-N 0 1 278.308 2.261 20 5 CEBDMN O=C(CCN1CCC[C@@H](F)C1)Nc1ccccc1[N+](=O)[O-] ZINC000902996852 634929776 /nfs/dbraw/zinc/92/97/76/634929776.db2.gz XXGWZODLQRNXQK-LLVKDONJSA-N 0 1 295.314 2.357 20 5 CEBDMN COC(=O)/C(C)=C\CN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000830161460 636996742 /nfs/dbraw/zinc/99/67/42/636996742.db2.gz RNKYJDWBDSUVED-IEHMKBBKSA-N 0 1 278.308 2.365 20 5 CEBDMN COCCCCC(=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837479782 639247859 /nfs/dbraw/zinc/24/78/59/639247859.db2.gz BGYULXLAVICMGD-UHFFFAOYSA-N 0 1 283.280 2.160 20 5 CEBDMN O=C(OCc1cc(O)ccc1[N+](=O)[O-])[C@@H]1CCCOCC1 ZINC000837689536 639344234 /nfs/dbraw/zinc/34/42/34/639344234.db2.gz ALRPWVCAXNFVQV-SNVBAGLBSA-N 0 1 295.291 2.160 20 5 CEBDMN CO[C@](C)(C(=O)OCc1cc(O)ccc1[N+](=O)[O-])C1CC1 ZINC000837740521 639368950 /nfs/dbraw/zinc/36/89/50/639368950.db2.gz NZDNEQCHBKTKFE-AWEZNQCLSA-N 0 1 295.291 2.159 20 5 CEBDMN CCC[C@@H](OC)C(=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837795957 639388454 /nfs/dbraw/zinc/38/84/54/639388454.db2.gz QCGVXMOZUSGIFR-GFCCVEGCSA-N 0 1 283.280 2.159 20 5 CEBDMN CC(C)CCc1nc(COC(=O)[C@@H]2CC2[N+](=O)[O-])cs1 ZINC000840671720 639521698 /nfs/dbraw/zinc/52/16/98/639521698.db2.gz ZWSPGIDJCOJJEY-GHMZBOCLSA-N 0 1 298.364 2.440 20 5 CEBDMN C[S@](=O)CCCNCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000229229697 639684874 /nfs/dbraw/zinc/68/48/74/639684874.db2.gz HFEVVIZZMNWYSJ-SFHVURJKSA-N 0 1 290.772 2.106 20 5 CEBDMN CC1(C)C[C@@H](OC(=O)[C@@H]2CC2[N+](=O)[O-])c2ccccc2O1 ZINC000841219769 639710273 /nfs/dbraw/zinc/71/02/73/639710273.db2.gz OCPBKAVGELAYCW-NQBHXWOUSA-N 0 1 291.303 2.497 20 5 CEBDMN O=C(Nc1cccc(F)c1Cl)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000841234899 639714996 /nfs/dbraw/zinc/71/49/96/639714996.db2.gz OLVDOEAAQVSECF-SVGQVSJJSA-N 0 1 258.636 2.083 20 5 CEBDMN CCCN(C)Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000172898664 639821218 /nfs/dbraw/zinc/82/12/18/639821218.db2.gz WMADLXVURTUXED-UHFFFAOYSA-N 0 1 275.312 2.153 20 5 CEBDMN CCCN(C)Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000063730519 639887201 /nfs/dbraw/zinc/88/72/01/639887201.db2.gz XRQKVGDGXMOMCI-UHFFFAOYSA-N 0 1 275.312 2.153 20 5 CEBDMN C[C@@]1(O)C[C@H](NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000841891629 639901395 /nfs/dbraw/zinc/90/13/95/639901395.db2.gz NEKBKLPBDZVQJT-WVSHTKLVSA-N 0 1 270.716 2.251 20 5 CEBDMN CO[C@H](COC(=O)c1ccc([N+](=O)[O-])[nH]1)CC(C)C ZINC000842456415 640065591 /nfs/dbraw/zinc/06/55/91/640065591.db2.gz BYGNRUDEHNLTQB-VIFPVBQESA-N 0 1 270.285 2.141 20 5 CEBDMN COC(=O)CC1(NCc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000844385461 640702783 /nfs/dbraw/zinc/70/27/83/640702783.db2.gz JVQNNRRWGZWIFM-UHFFFAOYSA-N 0 1 298.726 2.434 20 5 CEBDMN Cc1ccc(-c2cc(C(=O)OCC(C)(C)[N+](=O)[O-])[nH]n2)o1 ZINC000851125150 642926987 /nfs/dbraw/zinc/92/69/87/642926987.db2.gz ZDPGGPGWDRSUDA-UHFFFAOYSA-N 0 1 293.279 2.190 20 5 CEBDMN Cc1ccc(CN2C[C@H](O)CC(C)(C)C2)cc1[N+](=O)[O-] ZINC000877751962 650894842 /nfs/dbraw/zinc/89/48/42/650894842.db2.gz ABNRISAKZAGQEB-CYBMUJFWSA-N 0 1 278.352 2.496 20 5 CEBDMN CON1CCC(N(C)Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000839130156 644168246 /nfs/dbraw/zinc/16/82/46/644168246.db2.gz VUNFOFPXDFTSID-UHFFFAOYSA-N 0 1 297.330 2.192 20 5 CEBDMN CC(C)Oc1ccc([C@@H](C)NC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC000839508134 644245606 /nfs/dbraw/zinc/24/56/06/644245606.db2.gz DETZSGNGCMVWDM-LERXQTSPSA-N 0 1 292.335 2.316 20 5 CEBDMN CC[N@H+]1CC[C@H]1CNC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000877903107 650942683 /nfs/dbraw/zinc/94/26/83/650942683.db2.gz JLXWMUIKEISVPO-LBPRGKRZSA-N 0 1 292.339 2.119 20 5 CEBDMN CCN1CC[C@H]1CNC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000877903107 650942685 /nfs/dbraw/zinc/94/26/85/650942685.db2.gz JLXWMUIKEISVPO-LBPRGKRZSA-N 0 1 292.339 2.119 20 5 CEBDMN CC(C)Oc1ccccc1[C@@H](C)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839540028 644742002 /nfs/dbraw/zinc/74/20/02/644742002.db2.gz UWRRCFFRGVRACN-RAIGVLPGSA-N 0 1 292.335 2.316 20 5 CEBDMN CC(C)(C)Oc1ccc(CNC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC000839579586 644747389 /nfs/dbraw/zinc/74/73/89/644747389.db2.gz IIBXEYGRAFUXLF-CHWSQXEVSA-N 0 1 292.335 2.145 20 5 CEBDMN CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])[C@H](C)c1ccc(F)cc1 ZINC000839684880 644772504 /nfs/dbraw/zinc/77/25/04/644772504.db2.gz CLRQQMWTDYKVQP-OASPWFOLSA-N 0 1 280.299 2.400 20 5 CEBDMN O=C(NC[C@@H]1CCC[C@H](C(F)(F)F)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000839698747 644777074 /nfs/dbraw/zinc/77/70/74/644777074.db2.gz FJGWDMPRHOYXBG-UTINFBMNSA-N 0 1 294.273 2.137 20 5 CEBDMN C[C@H]1[C@@H](CO)CCCN1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000839669142 644777888 /nfs/dbraw/zinc/77/78/88/644777888.db2.gz MKCPGMSUNRDBPE-WDEREUQCSA-N 0 1 282.315 2.327 20 5 CEBDMN CC[C@]1(C)Oc2ccc(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])cc2O1 ZINC000839733103 644785673 /nfs/dbraw/zinc/78/56/73/644785673.db2.gz HGJFVJOLSCKQNP-GPCCPHFNSA-N 0 1 292.291 2.188 20 5 CEBDMN CSc1ccc(C)c(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 ZINC000839720488 644791458 /nfs/dbraw/zinc/79/14/58/644791458.db2.gz HSKFZXZSQMZWPE-MWLCHTKSSA-N 0 1 266.322 2.321 20 5 CEBDMN C[C@@H]1CCCc2ccccc2[C@@H]1NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839726753 644793597 /nfs/dbraw/zinc/79/35/97/644793597.db2.gz WQCKUEXNJAPIIG-JUDXGUMMSA-N 0 1 288.347 2.482 20 5 CEBDMN CCc1ccc([C@@H]2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)cc1 ZINC000839779790 644814277 /nfs/dbraw/zinc/81/42/77/644814277.db2.gz SVVQUBSLKMHZHU-RBSFLKMASA-N 0 1 288.347 2.230 20 5 CEBDMN C[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1cccc(C2CC2)c1 ZINC000839780966 644815319 /nfs/dbraw/zinc/81/53/19/644815319.db2.gz YXHCXKFQVKMISA-CUOATXAZSA-N 0 1 274.320 2.406 20 5 CEBDMN CCON(CC1CCCCC1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839790910 644953448 /nfs/dbraw/zinc/95/34/48/644953448.db2.gz CCDNTMWOKPHHKF-VXGBXAGGSA-N 0 1 270.329 2.012 20 5 CEBDMN CON(C(=O)c1cc(O)cc([N+](=O)[O-])c1)C1CCCC1 ZINC000758771254 644957092 /nfs/dbraw/zinc/95/70/92/644957092.db2.gz ZXNPPEDGTJLSCK-UHFFFAOYSA-N 0 1 280.280 2.247 20 5 CEBDMN O=[N+]([O-])c1ccc(F)cc1CN1C[C@@H]2CCC[C@]2(CO)C1 ZINC000859921052 645653539 /nfs/dbraw/zinc/65/35/39/645653539.db2.gz CAVZMKREQQJPRN-SWLSCSKDSA-N 0 1 294.326 2.328 20 5 CEBDMN CCO[C@H](C(=O)OCc1cc(O)ccc1[N+](=O)[O-])C(C)C ZINC000860367434 645773668 /nfs/dbraw/zinc/77/36/68/645773668.db2.gz PYHHXCWXLGKBIB-ZDUSSCGKSA-N 0 1 297.307 2.405 20 5 CEBDMN O=C(N[C@H]1CCCc2ccc(Cl)cc21)[C@@H]1CC1[N+](=O)[O-] ZINC000863207856 646674582 /nfs/dbraw/zinc/67/45/82/646674582.db2.gz OXGGOWJJARVONG-FRRDWIJNSA-N 0 1 294.738 2.499 20 5 CEBDMN O=C(OCCCC1CCOCC1)c1ccc([N+](=O)[O-])[nH]1 ZINC000789557666 648317158 /nfs/dbraw/zinc/31/71/58/648317158.db2.gz XCROASISBYQTGO-UHFFFAOYSA-N 0 1 282.296 2.287 20 5 CEBDMN Cc1ccc2[nH]c([C@@H]3CCCN(CC[N+](=O)[O-])C3)nc2c1 ZINC000791054655 648476919 /nfs/dbraw/zinc/47/69/19/648476919.db2.gz NJJQYTWURCABBI-GFCCVEGCSA-N 0 1 288.351 2.327 20 5 CEBDMN Cc1ccc2nc([C@@H]3CCCN(CC[N+](=O)[O-])C3)[nH]c2c1 ZINC000791054655 648476923 /nfs/dbraw/zinc/47/69/23/648476923.db2.gz NJJQYTWURCABBI-GFCCVEGCSA-N 0 1 288.351 2.327 20 5 CEBDMN O=C(OC[C@@H]1CCCSC1)c1ccc([N+](=O)[O-])[nH]1 ZINC000806052431 648857267 /nfs/dbraw/zinc/85/72/67/648857267.db2.gz GAJALRQBDPOWSK-QMMMGPOBSA-N 0 1 270.310 2.223 20 5 CEBDMN O=C(Nc1cc(F)cc(OC(F)F)c1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000871192781 649028098 /nfs/dbraw/zinc/02/80/98/649028098.db2.gz DMTXIVAMAGOFKJ-RKDXNWHRSA-N 0 1 290.197 2.031 20 5 CEBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@H](C2CCC2)CC1 ZINC000871222177 649038220 /nfs/dbraw/zinc/03/82/20/649038220.db2.gz FITBOXQYEOVNQT-YNEHKIRRSA-N 0 1 266.341 2.080 20 5 CEBDMN C[C@@H](NCC[C@H](C)O)c1c(F)cccc1[N+](=O)[O-] ZINC000872036100 649249351 /nfs/dbraw/zinc/24/93/51/649249351.db2.gz RVEQONTWHRJVEY-DTWKUNHWSA-N 0 1 256.277 2.155 20 5 CEBDMN Cc1noc(CCN[C@@H](C)c2c(F)cccc2[N+](=O)[O-])n1 ZINC000872046017 649253184 /nfs/dbraw/zinc/25/31/84/649253184.db2.gz CVCLFUANFOFKTR-QMMMGPOBSA-N 0 1 294.286 2.319 20 5 CEBDMN C[C@@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])c1csc(C2CC2)n1 ZINC000873586073 649704524 /nfs/dbraw/zinc/70/45/24/649704524.db2.gz AKADTRHWXKUTOZ-GTNGPMTGSA-N 0 1 282.321 2.290 20 5 CEBDMN CCO[C@@H]1CCC[C@@H](OC(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000873602517 649708146 /nfs/dbraw/zinc/70/81/46/649708146.db2.gz ZUCINCLFDVNGHY-NXEZZACHSA-N 0 1 282.296 2.427 20 5 CEBDMN C=C/C=C/CCN1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000878696074 651167084 /nfs/dbraw/zinc/16/70/84/651167084.db2.gz UANNRTXHQXADEU-ONEGZZNKSA-N 0 1 288.351 2.244 20 5 CEBDMN C[C@@H]1c2sccc2CCN1CCn1ccc([N+](=O)[O-])n1 ZINC000880378087 651432976 /nfs/dbraw/zinc/43/29/76/651432976.db2.gz NUAVTOBFRMCWOB-SNVBAGLBSA-N 0 1 292.364 2.472 20 5 CEBDMN CSCc1n[nH]c(CNc2c(C)cccc2[N+](=O)[O-])n1 ZINC000884694972 652968033 /nfs/dbraw/zinc/96/80/33/652968033.db2.gz DHTDEUYLWWRKHY-UHFFFAOYSA-N 0 1 293.352 2.496 20 5 CEBDMN CSCc1nnc(CNc2c(C)cccc2[N+](=O)[O-])[nH]1 ZINC000884694972 652968034 /nfs/dbraw/zinc/96/80/34/652968034.db2.gz DHTDEUYLWWRKHY-UHFFFAOYSA-N 0 1 293.352 2.496 20 5 CEBDMN C[C@@H]1CN(c2cc([N+](=O)[O-])cc(Cl)n2)[C@@H](C)CN1C ZINC001164630042 719152359 /nfs/dbraw/zinc/15/23/59/719152359.db2.gz FULNUZQBLJDRIJ-BDAKNGLRSA-N 0 1 284.747 2.172 20 5 CEBDMN COc1cc(NC2CN(C(C)C)C2)cc([N+](=O)[O-])c1C ZINC001168316029 806649965 /nfs/dbraw/zinc/64/99/65/806649965.db2.gz SPDCJNFCFSUTLD-UHFFFAOYSA-N 0 1 279.340 2.416 20 5 CEBDMN Cc1ccc(C(N)=O)c(Nc2ccc(O)c([N+](=O)[O-])c2)c1 ZINC001210397715 802679288 /nfs/dbraw/zinc/67/92/88/802679288.db2.gz FMLJRPVSPMGGIS-UHFFFAOYSA-N 0 1 287.275 2.451 20 5 CEBDMN CN1CC[C@H]1CNc1nccc2c1cccc2[N+](=O)[O-] ZINC000712593352 814755285 /nfs/dbraw/zinc/75/52/85/814755285.db2.gz YLSANYFUKFLWHF-JTQLQIEISA-N 0 1 272.308 2.259 20 5 CEBDMN C[C@@H]1COC[C@@H]1NCc1ccc([N+](=O)[O-])cc1Cl ZINC000699780856 807841821 /nfs/dbraw/zinc/84/18/21/807841821.db2.gz CMDQMAQEKHLSPT-PELKAZGASA-N 0 1 270.716 2.373 20 5 CEBDMN C[C@H]1CCC[C@H](N(C)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000073587230 808734885 /nfs/dbraw/zinc/73/48/85/808734885.db2.gz QQXNBEBYSWEEHD-QWRGUYRKSA-N 0 1 252.318 2.259 20 5 CEBDMN COc1cc([N+](=O)[O-])cnc1NCC[N@H+]1CCC[C@H](C)C1 ZINC000824614967 810703877 /nfs/dbraw/zinc/70/38/77/810703877.db2.gz HGWBWKSBKNIYDD-NSHDSACASA-N 0 1 294.355 2.142 20 5 CEBDMN Cc1ccc(C[N@H+]2CCCC[C@H]2CO)cc1[N+](=O)[O-] ZINC000714022523 810995466 /nfs/dbraw/zinc/99/54/66/810995466.db2.gz SHWMCRFMPBGHQG-ZDUSSCGKSA-N 0 1 264.325 2.250 20 5 CEBDMN Cc1ccc(CN2CCCC[C@H]2CO)cc1[N+](=O)[O-] ZINC000714022523 810995471 /nfs/dbraw/zinc/99/54/71/810995471.db2.gz SHWMCRFMPBGHQG-ZDUSSCGKSA-N 0 1 264.325 2.250 20 5 CEBDMN CN(Cc1nccs1)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169036549 811345630 /nfs/dbraw/zinc/34/56/30/811345630.db2.gz GMHOSYIXASCLED-NXEZZACHSA-N 0 1 255.343 2.020 20 5 CEBDMN CC[C@@](N)(CO)Nc1ccc(C(F)(F)F)c([N+](=O)[O-])c1 ZINC001170865217 813561415 /nfs/dbraw/zinc/56/14/15/813561415.db2.gz KPJOOBYNVUYEEE-JTQLQIEISA-N 0 1 293.245 2.083 20 5 CEBDMN CC[C@](N)(CO)Nc1ccc(C(C)(C)C)cc1[N+](=O)[O-] ZINC001170864035 813562923 /nfs/dbraw/zinc/56/29/23/813562923.db2.gz QRPQHRLYYBWTFR-CQSZACIVSA-N 0 1 281.356 2.362 20 5 CEBDMN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N(C1CC1)C1COC1 ZINC001173231908 815633237 /nfs/dbraw/zinc/63/32/37/815633237.db2.gz DNCSYNAFMBYJLV-LLVKDONJSA-N 0 1 276.336 2.389 20 5 CEBDMN Cc1cnc(CN[C@@H](C)Cc2ccc([N+](=O)[O-])cc2)nc1 ZINC001173211144 815635855 /nfs/dbraw/zinc/63/58/55/815635855.db2.gz PVJZSZUNFDHXBM-LBPRGKRZSA-N 0 1 286.335 2.414 20 5 CEBDMN CCc1nc(CNc2cc(C)c([N+](=O)[O-])cc2F)n[nH]1 ZINC000294954743 199268459 /nfs/dbraw/zinc/26/84/59/199268459.db2.gz MVLDRWNMTMADJY-UHFFFAOYSA-N 0 1 279.275 2.335 20 5 CEBDMN O=[N+]([O-])c1ccccc1CN1CCCC[C@H]1c1nnc[nH]1 ZINC000121798527 365616185 /nfs/dbraw/zinc/61/61/85/365616185.db2.gz MYVYWZIXTVHWQQ-ZDUSSCGKSA-N 0 1 287.323 2.440 20 5 CEBDMN CCNC(=O)[C@H](C)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000036794623 361859544 /nfs/dbraw/zinc/85/95/44/361859544.db2.gz GYCHDOQNXMVWCJ-QWRGUYRKSA-N 0 1 279.340 2.078 20 5 CEBDMN CC(C)[N@@H+](CCC(=O)[O-])Cc1ccc([N+](=O)[O-])cc1 ZINC000037654545 361919367 /nfs/dbraw/zinc/91/93/67/361919367.db2.gz QYOPLLYCTAZLSP-UHFFFAOYSA-N 0 1 266.297 2.280 20 5 CEBDMN Cc1[nH]n(-c2cccc([N+](=O)[O-])c2)c(=O)c1C1CC1 ZINC000601932882 346930233 /nfs/dbraw/zinc/93/02/33/346930233.db2.gz TYHAUQVECZWFKH-GFCCVEGCSA-N 0 1 259.265 2.344 20 5 CEBDMN Cc1ccc([C@H](C)NCC(=O)NC(C)(C)C)cc1[N+](=O)[O-] ZINC000126496344 187243861 /nfs/dbraw/zinc/24/38/61/187243861.db2.gz VYDBSPCPABQNSP-NSHDSACASA-N 0 1 293.367 2.469 20 5 CEBDMN Cc1ccc(OCc2nc(C(C)(C)N)no2)c([N+](=O)[O-])c1 ZINC000043402685 343463770 /nfs/dbraw/zinc/46/37/70/343463770.db2.gz QCAVSIAZZZBKEO-UHFFFAOYSA-N 0 1 292.295 2.059 20 5 CEBDMN O=C([C@H]1CC1[N+](=O)[O-])N1CCC(Cc2ccccc2)CC1 ZINC000044260912 343469424 /nfs/dbraw/zinc/46/94/24/343469424.db2.gz WGYZRJXEYKFUQB-GJZGRUSLSA-N 0 1 288.347 2.133 20 5 CEBDMN O=[N+]([O-])c1cc(Cl)cnc1NCc1n[nH]c(C2CC2)n1 ZINC000295015675 199301403 /nfs/dbraw/zinc/30/14/03/199301403.db2.gz TVHAGNWHXJHOHF-UHFFFAOYSA-N 0 1 294.702 2.251 20 5 CEBDMN Cc1ccnc(NCc2n[nH]c(C(C)C)n2)c1[N+](=O)[O-] ZINC000295017101 199302359 /nfs/dbraw/zinc/30/23/59/199302359.db2.gz UCYSWNNGUSKUEW-UHFFFAOYSA-N 0 1 276.300 2.152 20 5 CEBDMN C[C@@H]1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])[C@@H](c2ccco2)C1 ZINC000075388245 343851230 /nfs/dbraw/zinc/85/12/30/343851230.db2.gz BPDONKTYHNKKMN-WISYIIOYSA-N 0 1 278.308 2.244 20 5 CEBDMN CCC1(O)CCN(Cc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000075859767 343870083 /nfs/dbraw/zinc/87/00/83/343870083.db2.gz UIEQGZIEFBEUJQ-UHFFFAOYSA-N 0 1 294.351 2.340 20 5 CEBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCCCC[C@@H]1c1ccco1 ZINC000076510078 343891793 /nfs/dbraw/zinc/89/17/93/343891793.db2.gz JWIMFSAEFCAMLH-UTUOFQBUSA-N 0 1 278.308 2.389 20 5 CEBDMN CC[C@]1(C)CCCN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])C1 ZINC000081321464 344045962 /nfs/dbraw/zinc/04/59/62/344045962.db2.gz MHHWZTPHTYPOIN-CYBMUJFWSA-N 0 1 280.328 2.279 20 5 CEBDMN Cc1ccccc1[C@@H]1CCCN1C(=O)[C@H]1CC1[N+](=O)[O-] ZINC000048806677 362304918 /nfs/dbraw/zinc/30/49/18/362304918.db2.gz KTZCGQLKGBVROU-IHRRRGAJSA-N 0 1 274.320 2.324 20 5 CEBDMN CCn1cc([C@@H](C)NCc2cc(O)ccc2[N+](=O)[O-])cn1 ZINC000449668117 282323920 /nfs/dbraw/zinc/32/39/20/282323920.db2.gz KCWQJIKIDKPSFC-SNVBAGLBSA-N 0 1 290.323 2.368 20 5 CEBDMN CCCN(C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000049480633 362367213 /nfs/dbraw/zinc/36/72/13/362367213.db2.gz WTVGOXGJUQMOGM-JTQLQIEISA-N 0 1 265.313 2.264 20 5 CEBDMN O=[N+]([O-])c1ccc([O-])cc1C[N@H+](CCCCO)C1CC1 ZINC000093382990 344222335 /nfs/dbraw/zinc/22/23/35/344222335.db2.gz HLLGLIFANKGICY-UHFFFAOYSA-N 0 1 280.324 2.037 20 5 CEBDMN Cc1cccc(-c2nc([C@@H]3CCCN3)no2)c1[N+](=O)[O-] ZINC000228560380 344561145 /nfs/dbraw/zinc/56/11/45/344561145.db2.gz UWWZBEKIGXSVGN-JTQLQIEISA-N 0 1 274.280 2.378 20 5 CEBDMN CCS[C@@H]1CC[C@H](N(C)Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602484401 347055120 /nfs/dbraw/zinc/05/51/20/347055120.db2.gz OOMWDWFASNHTBO-NWDGAFQWSA-N 0 1 298.412 2.434 20 5 CEBDMN CCn1cc(CNCc2ccc([N+](=O)[O-])cc2)cn1 ZINC000050539557 362422637 /nfs/dbraw/zinc/42/26/37/362422637.db2.gz NHFQTWMPZYLZHO-UHFFFAOYSA-N 0 1 260.297 2.101 20 5 CEBDMN Cc1ccc(CN2C[C@@H](C)C[C@H](O)C2)cc1[N+](=O)[O-] ZINC000449767031 282359987 /nfs/dbraw/zinc/35/99/87/282359987.db2.gz POFWUYFMIAUKIZ-GWCFXTLKSA-N 0 1 264.325 2.106 20 5 CEBDMN CO[C@@H](CNCc1nc2cc([N+](=O)[O-])ccc2o1)C(C)C ZINC000602562720 347078365 /nfs/dbraw/zinc/07/83/65/347078365.db2.gz VZRGJLMMUJVALQ-ZDUSSCGKSA-N 0 1 293.323 2.497 20 5 CEBDMN COC(=O)c1ccc([N+](=O)[O-])c(CN2CC[C@@H](C)C2)c1 ZINC000589496880 345084379 /nfs/dbraw/zinc/08/43/79/345084379.db2.gz VRRBRMYJCYOUBT-SNVBAGLBSA-N 0 1 278.308 2.223 20 5 CEBDMN CC(C)(C)[C@@H](O)CN1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000588963746 345062931 /nfs/dbraw/zinc/06/29/31/345062931.db2.gz ODKUKTRPHMFGDE-AWEZNQCLSA-N 0 1 278.352 2.360 20 5 CEBDMN CC(C)c1ccc(CNC2COCCOC2)cc1[N+](=O)[O-] ZINC000589938083 345105061 /nfs/dbraw/zinc/10/50/61/345105061.db2.gz CKOYBXXUNFVICE-UHFFFAOYSA-N 0 1 294.351 2.223 20 5 CEBDMN COc1cc(CNCc2ccc([N+](=O)[O-])cc2)ccn1 ZINC000057395213 362579873 /nfs/dbraw/zinc/57/98/73/362579873.db2.gz DORBIFSUHBQPLB-UHFFFAOYSA-N 0 1 273.292 2.288 20 5 CEBDMN C[C@@H]1CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@@H]1C(=O)[O-] ZINC000592396841 345350021 /nfs/dbraw/zinc/35/00/21/345350021.db2.gz BKNCPNLDPPEKDK-RISCZKNCSA-N 0 1 292.335 2.180 20 5 CEBDMN O=[N+]([O-])c1cccc(CN2CC[C@@H](Nc3ncccn3)C2)c1 ZINC000592516955 345363917 /nfs/dbraw/zinc/36/39/17/345363917.db2.gz KNUQHARXKQNRST-CYBMUJFWSA-N 0 1 299.334 2.071 20 5 CEBDMN Cc1nnc(CSCc2cc(O)ccc2[N+](=O)[O-])o1 ZINC000593200259 345452915 /nfs/dbraw/zinc/45/29/15/345452915.db2.gz URXFDKNBXLKKLG-UHFFFAOYSA-N 0 1 281.293 2.425 20 5 CEBDMN CCCc1[nH]nc(C(=O)N2CCC23CCCC3)c1[N+](=O)[O-] ZINC000593758010 345533863 /nfs/dbraw/zinc/53/38/63/345533863.db2.gz PJPMUFHGATUPFZ-UHFFFAOYSA-N 0 1 292.339 2.429 20 5 CEBDMN Cc1noc(CN2CCCC3(CCOCC3)C2)c1[N+](=O)[O-] ZINC000595324848 345762408 /nfs/dbraw/zinc/76/24/08/345762408.db2.gz HXRNIBIKRRPBPW-UHFFFAOYSA-N 0 1 295.339 2.284 20 5 CEBDMN Cc1noc(CN2CC[C@H]3CCC[C@@H]32)c1[N+](=O)[O-] ZINC000595446438 345784810 /nfs/dbraw/zinc/78/48/10/345784810.db2.gz LFEKGFQIHAUBBS-ZJUUUORDSA-N 0 1 251.286 2.266 20 5 CEBDMN CCC[C@]1(CO)CCCN1Cc1onc(C)c1[N+](=O)[O-] ZINC000595466925 345790567 /nfs/dbraw/zinc/79/05/67/345790567.db2.gz SQJPMODAQQJGAW-CYBMUJFWSA-N 0 1 283.328 2.018 20 5 CEBDMN COC[C@H](NCc1ccc(F)cc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000595467536 345790611 /nfs/dbraw/zinc/79/06/11/345790611.db2.gz MVXRQXZJTSVNOV-GXTWGEPZSA-N 0 1 298.314 2.018 20 5 CEBDMN CC[C@H]1C[C@@H](NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CO1 ZINC000597117690 346130631 /nfs/dbraw/zinc/13/06/31/346130631.db2.gz PZUHWCYCNNWAFI-KOLCDFICSA-N 0 1 290.323 2.128 20 5 CEBDMN COCCC1CN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000597184710 346143582 /nfs/dbraw/zinc/14/35/82/346143582.db2.gz ZTRHBRDDGKEYDW-UHFFFAOYSA-N 0 1 250.298 2.063 20 5 CEBDMN C[C@H](NCC(=O)NCC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000599350377 346503835 /nfs/dbraw/zinc/50/38/35/346503835.db2.gz WOJVJXUZIKUUET-NSHDSACASA-N 0 1 293.367 2.408 20 5 CEBDMN O=[N+]([O-])c1ccccc1CN1CCN(CCCF)CC1 ZINC000599671260 346559632 /nfs/dbraw/zinc/55/96/32/346559632.db2.gz QDDBENJRTIWESS-UHFFFAOYSA-N 0 1 281.331 2.072 20 5 CEBDMN CCOc1ccc([N+](=O)[O-])cc1CN(C)CC1(C)COC1 ZINC000599571702 346540660 /nfs/dbraw/zinc/54/06/60/346540660.db2.gz RBTQCJSOHDCHTA-UHFFFAOYSA-N 0 1 294.351 2.462 20 5 CEBDMN CCC[C@H](CNC(=O)c1cc(O)cc([N+](=O)[O-])c1)OCC ZINC000600175060 346615389 /nfs/dbraw/zinc/61/53/89/346615389.db2.gz OKAFYRGJRCAXDQ-CYBMUJFWSA-N 0 1 296.323 2.235 20 5 CEBDMN Cn1cc(CN(C2CC2)C2CCCC2)c([N+](=O)[O-])n1 ZINC000602775041 347193582 /nfs/dbraw/zinc/19/35/82/347193582.db2.gz DQNRDDZVBLYCQG-UHFFFAOYSA-N 0 1 264.329 2.235 20 5 CEBDMN CC(C)N(Cc1cn(C)nc1[N+](=O)[O-])C1CCC1 ZINC000602796262 347201571 /nfs/dbraw/zinc/20/15/71/347201571.db2.gz WTYDJSDGVOLUNX-UHFFFAOYSA-N 0 1 252.318 2.091 20 5 CEBDMN COCCN1CCC(Nc2ccc([N+](=O)[O-])s2)CC1 ZINC000604441873 347415854 /nfs/dbraw/zinc/41/58/54/347415854.db2.gz ROWSEAJISQVVFH-UHFFFAOYSA-N 0 1 285.369 2.179 20 5 CEBDMN CC[C@@H](CN1CCCC1)NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000609876494 347654612 /nfs/dbraw/zinc/65/46/12/347654612.db2.gz AZDYFGVPXWCSJJ-JTQLQIEISA-N 0 1 297.380 2.261 20 5 CEBDMN Cc1cc(C[C@H](C)Nc2cccnc2[N+](=O)[O-])[nH]n1 ZINC000610856261 347718054 /nfs/dbraw/zinc/71/80/54/347718054.db2.gz BVVIFJLATJXXCF-QMMMGPOBSA-N 0 1 261.285 2.064 20 5 CEBDMN O=[N+]([O-])c1sccc1N1CC[C@H](N2CC=CC2)C1 ZINC000610281822 347669608 /nfs/dbraw/zinc/66/96/08/347669608.db2.gz OFEAZNLTJCAZQQ-JTQLQIEISA-N 0 1 265.338 2.107 20 5 CEBDMN COCCN1CCC[C@@H](Nc2sccc2[N+](=O)[O-])C1 ZINC000611413131 347775982 /nfs/dbraw/zinc/77/59/82/347775982.db2.gz VJCJLOLUKDTKQV-SNVBAGLBSA-N 0 1 285.369 2.179 20 5 CEBDMN Cc1ccc(NC(=O)c2cnc3nc[nH]c3c2)cc1[N+](=O)[O-] ZINC000611218639 347752532 /nfs/dbraw/zinc/75/25/32/347752532.db2.gz YSSFECOYFXZLRN-UHFFFAOYSA-N 0 1 297.274 2.427 20 5 CEBDMN CC[N@H+](Cc1cc([O-])ccc1[N+](=O)[O-])C[C@@H]1CCOC1 ZINC000611256703 347759175 /nfs/dbraw/zinc/75/91/75/347759175.db2.gz QJWQYMHIGIBDOG-NSHDSACASA-N 0 1 280.324 2.159 20 5 CEBDMN CN(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)CC1CC1 ZINC000611262379 347759786 /nfs/dbraw/zinc/75/97/86/347759786.db2.gz STKNUPAJBONWGJ-UHFFFAOYSA-N 0 1 278.308 2.208 20 5 CEBDMN O=[N+]([O-])c1cccc(OCCN2CCOCC3(CC3)C2)c1 ZINC000611813321 347818789 /nfs/dbraw/zinc/81/87/89/347818789.db2.gz ZURZEVQFWWUDJU-UHFFFAOYSA-N 0 1 292.335 2.086 20 5 CEBDMN C[C@@H]1CN(Cc2csc([N+](=O)[O-])c2)[C@@H](C)CN1C ZINC000351957277 219264638 /nfs/dbraw/zinc/26/46/38/219264638.db2.gz FUKCTNKKXWVVMZ-ZJUUUORDSA-N 0 1 269.370 2.181 20 5 CEBDMN CCCc1[nH]nc(C(=O)N(C)Cc2ccco2)c1[N+](=O)[O-] ZINC000068256047 362937738 /nfs/dbraw/zinc/93/77/38/362937738.db2.gz HDLBKKGOKQTVRP-UHFFFAOYSA-N 0 1 292.295 2.136 20 5 CEBDMN COc1ccc([N+](=O)[O-])cc1CN(C)CC1(O)CCCC1 ZINC000124246652 187128751 /nfs/dbraw/zinc/12/87/51/187128751.db2.gz DUVXWOOESDTCNK-UHFFFAOYSA-N 0 1 294.351 2.340 20 5 CEBDMN Cc1nc(CN(Cc2ccc([N+](=O)[O-])cc2)C(C)C)n[nH]1 ZINC000292256576 198220170 /nfs/dbraw/zinc/22/01/70/198220170.db2.gz VFJBPVVDRDAZHN-UHFFFAOYSA-N 0 1 289.339 2.432 20 5 CEBDMN COc1ccc([N+](=O)[O-])cc1CN1CC[C@H](CCCO)C1 ZINC000452133998 283199691 /nfs/dbraw/zinc/19/96/91/283199691.db2.gz TWHOPLHLHPGXLE-LBPRGKRZSA-N 0 1 294.351 2.198 20 5 CEBDMN O=[N+]([O-])c1cccc(CN2CCS[C@H]3COCC[C@@H]32)c1 ZINC000135519468 366450118 /nfs/dbraw/zinc/45/01/18/366450118.db2.gz NTYSCEUJNDDFMZ-KBPBESRZSA-N 0 1 294.376 2.301 20 5 CEBDMN O=[N+]([O-])c1ccccc1C=CCNCc1n[nH]c(C2CC2)n1 ZINC000294932192 199257477 /nfs/dbraw/zinc/25/74/77/199257477.db2.gz ZMRYIFATUAUARL-HWKANZROSA-N 0 1 299.334 2.393 20 5 CEBDMN O=[N+]([O-])c1ccc([O-])cc1C[N@H+]1CCC[C@H]2COCC[C@H]21 ZINC000339010438 366613553 /nfs/dbraw/zinc/61/35/53/366613553.db2.gz BNVMWZMLLXNBIA-SMDDNHRTSA-N 0 1 292.335 2.301 20 5 CEBDMN O=[N+]([O-])c1ccc([O-])cc1C[N@H+]1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000339050188 366630093 /nfs/dbraw/zinc/63/00/93/366630093.db2.gz FVTBMLXENPDABB-VXGBXAGGSA-N 0 1 292.335 2.159 20 5 CEBDMN C[C@H](C(=O)[O-])[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000579496900 366657348 /nfs/dbraw/zinc/65/73/48/366657348.db2.gz VJHDRQMBUUHFCM-PWSUYJOCSA-N 0 1 278.308 2.247 20 5 CEBDMN COc1cc(CN[C@H]2C[C@@H]2C(F)F)c([N+](=O)[O-])cc1O ZINC000342218548 216265608 /nfs/dbraw/zinc/26/56/08/216265608.db2.gz IPZCOZXMQIKJQL-YUMQZZPRSA-N 0 1 288.250 2.052 20 5 CEBDMN O=[N+]([O-])c1cccc(F)c1CN1CC[C@@]2(CCOC2)C1 ZINC000153895378 366742609 /nfs/dbraw/zinc/74/26/09/366742609.db2.gz KAHWIJJEAJPZHC-CQSZACIVSA-N 0 1 280.299 2.346 20 5 CEBDMN COc1cc(CN(C)C[C@@H]2CCOC2)c([N+](=O)[O-])cc1F ZINC000184231145 189380342 /nfs/dbraw/zinc/38/03/42/189380342.db2.gz AGUUKAPQVVOVKL-JTQLQIEISA-N 0 1 298.314 2.211 20 5 CEBDMN COCCCN(C)Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000184251941 189380943 /nfs/dbraw/zinc/38/09/43/189380943.db2.gz XFKYBQZHRVFESU-UHFFFAOYSA-N 0 1 286.303 2.211 20 5 CEBDMN CC[C@@H](C)CN(C)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356548254 370750828 /nfs/dbraw/zinc/75/08/28/370750828.db2.gz LDUMZFZZWFBTGT-SECBINFHSA-N 0 1 266.297 2.419 20 5 CEBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1Cc2ccccc2C1 ZINC000356550937 370751281 /nfs/dbraw/zinc/75/12/81/370751281.db2.gz PGGXUHLBFXKANB-UHFFFAOYSA-N 0 1 284.271 2.456 20 5 CEBDMN CCN1CCCC[C@@H]1C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000104274424 364689613 /nfs/dbraw/zinc/68/96/13/364689613.db2.gz UULMIRAWYJETNO-CQSZACIVSA-N 0 1 291.351 2.085 20 5 CEBDMN C=Cn1cc(CNCc2ccc([N+](=O)[O-])cc2)cn1 ZINC000194349473 189658832 /nfs/dbraw/zinc/65/88/32/189658832.db2.gz XUFORPYMCHHLLN-UHFFFAOYSA-N 0 1 258.281 2.182 20 5 CEBDMN CC1(C)CN(Cc2cccc([N+](=O)[O-])c2)CC[C@@H]1O ZINC000275494773 193057654 /nfs/dbraw/zinc/05/76/54/193057654.db2.gz QCVQROBUZXCVBF-ZDUSSCGKSA-N 0 1 264.325 2.188 20 5 CEBDMN CN(CCOCC1CC1)Cc1cccc([N+](=O)[O-])c1 ZINC000159138423 366880846 /nfs/dbraw/zinc/88/08/46/366880846.db2.gz JKYXGYGHXZMJCC-UHFFFAOYSA-N 0 1 264.325 2.453 20 5 CEBDMN Cc1cc([N+](=O)[O-])cnc1NCCc1ccc2cn[nH]c2c1 ZINC000343082597 367662372 /nfs/dbraw/zinc/66/23/72/367662372.db2.gz WRCBMLPKKUBPSF-UHFFFAOYSA-N 0 1 297.318 2.251 20 5 CEBDMN CC(C)[C@H](C)CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000172581410 367778368 /nfs/dbraw/zinc/77/83/68/367778368.db2.gz PZWDQRQROREJAR-SECBINFHSA-N 0 1 290.323 2.493 20 5 CEBDMN O=C(N[C@H]1C=CCCC1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000343764975 367994117 /nfs/dbraw/zinc/99/41/17/367994117.db2.gz AIYXHCDETWJRHM-VIFPVBQESA-N 0 1 286.291 2.310 20 5 CEBDMN Cc1nc([C@@H](C)Nc2nc(C)cc(C)c2[N+](=O)[O-])n[nH]1 ZINC000343931386 368078816 /nfs/dbraw/zinc/07/88/16/368078816.db2.gz BKXADOXDYQRJAD-MRVPVSSYSA-N 0 1 276.300 2.206 20 5 CEBDMN CCc1[nH]nc(C(=O)N2CC[C@H](CC(C)C)C2)c1[N+](=O)[O-] ZINC000185774380 368858008 /nfs/dbraw/zinc/85/80/08/368858008.db2.gz BGHHTPBFPYTKGQ-SNVBAGLBSA-N 0 1 294.355 2.389 20 5 CEBDMN O=C(NCCC1=CCCCCC1)c1n[nH]cc1[N+](=O)[O-] ZINC000185724366 368849943 /nfs/dbraw/zinc/84/99/43/368849943.db2.gz YOEVYGARBYPXND-UHFFFAOYSA-N 0 1 278.312 2.328 20 5 CEBDMN C/C=C\C[C@H](CO)NCc1csc([N+](=O)[O-])c1 ZINC000349792920 369402362 /nfs/dbraw/zinc/40/23/62/369402362.db2.gz TUKCFGGSGWPXAH-MXQLGCADSA-N 0 1 256.327 2.073 20 5 CEBDMN CN(CCCCO)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000349905579 369445757 /nfs/dbraw/zinc/44/57/57/369445757.db2.gz FKKKJVRBFOJWJD-UHFFFAOYSA-N 0 1 272.732 2.453 20 5 CEBDMN C[C@H]1CCC[C@@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC000188931778 369431589 /nfs/dbraw/zinc/43/15/89/369431589.db2.gz HYTGUPPQUOUXEZ-DTWKUNHWSA-N 0 1 266.301 2.017 20 5 CEBDMN Cc1cnn(C)c1CNCc1cccc([N+](=O)[O-])c1C ZINC000352698652 369843760 /nfs/dbraw/zinc/84/37/60/369843760.db2.gz VNRWEVFXEQOIPF-UHFFFAOYSA-N 0 1 274.324 2.235 20 5 CEBDMN O=[N+]([O-])c1cc(CNCCOCC2CC2)cs1 ZINC000224534902 370280400 /nfs/dbraw/zinc/28/04/00/370280400.db2.gz BXAIMQIEXREGTE-UHFFFAOYSA-N 0 1 256.327 2.173 20 5 CEBDMN C[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)[C@@H]1C(=O)[O-] ZINC000235667905 370572376 /nfs/dbraw/zinc/57/23/76/370572376.db2.gz CZCCKICIHZFCIS-GWCFXTLKSA-N 0 1 278.308 2.280 20 5 CEBDMN O=[N+]([O-])c1ccc(F)cc1CN[C@H]1CCO[C@@H]1C1CC1 ZINC000236155800 370584703 /nfs/dbraw/zinc/58/47/03/370584703.db2.gz GIWOZPWGYBOKII-GXTWGEPZSA-N 0 1 280.299 2.391 20 5 CEBDMN O=[N+]([O-])c1cccc(CN2CCS[C@H]3COCC[C@H]32)c1 ZINC000246947223 371035121 /nfs/dbraw/zinc/03/51/21/371035121.db2.gz NTYSCEUJNDDFMZ-KGLIPLIRSA-N 0 1 294.376 2.301 20 5 CEBDMN CCC[C@H]1CNCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000359240737 371390442 /nfs/dbraw/zinc/39/04/42/371390442.db2.gz ONZCCMBVLNNCFL-ZDUSSCGKSA-N 0 1 291.351 2.117 20 5 CEBDMN Cc1coc(-c2cccc(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])c2)n1 ZINC000361346529 371797717 /nfs/dbraw/zinc/79/77/17/371797717.db2.gz NDIOZUIAGBZMHQ-VXGBXAGGSA-N 0 1 287.275 2.254 20 5 CEBDMN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CC(c2ccccc2)C1 ZINC000371213601 373815240 /nfs/dbraw/zinc/81/52/40/373815240.db2.gz TYPWGQMUYHVWTG-PQAZSJQKSA-N 0 1 274.320 2.056 20 5 CEBDMN O=C([C@H]1CC1[N+](=O)[O-])N1CCC(C2CCCC2)CC1 ZINC000371117451 373791733 /nfs/dbraw/zinc/79/17/33/373791733.db2.gz LZOBQLPNYXQPAU-STQMWFEESA-N 0 1 266.341 2.080 20 5 CEBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@H](c2ccccc2)CC1 ZINC000371541229 373914339 /nfs/dbraw/zinc/91/43/39/373914339.db2.gz XOGFFMVQGVOBPK-RRFJBIMHSA-N 0 1 288.347 2.448 20 5 CEBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCCn2c(cc3ccccc32)C1 ZINC000377146617 374801918 /nfs/dbraw/zinc/80/19/18/374801918.db2.gz MOPXUUCINFEWMN-HIFRSBDPSA-N 0 1 299.330 2.039 20 5 CEBDMN CCC(=O)c1ccc(N[C@@H](C)c2nnc[nH]2)c([N+](=O)[O-])c1 ZINC000280041812 375070913 /nfs/dbraw/zinc/07/09/13/375070913.db2.gz AWELWIYKFZEUJB-QMMMGPOBSA-N 0 1 289.295 2.479 20 5 CEBDMN CC1=CCCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000280700988 375289882 /nfs/dbraw/zinc/28/98/82/375289882.db2.gz CEJBAKNAADSCFJ-CQSZACIVSA-N 0 1 262.309 2.280 20 5 CEBDMN CC1=CCCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000280826493 375335070 /nfs/dbraw/zinc/33/50/70/375335070.db2.gz WBFKYPNFUGMHSO-UHFFFAOYSA-N 0 1 262.265 2.093 20 5 CEBDMN Cc1cc([C@H]2CCCN(c3ccc([N+](=O)[O-])cn3)C2)[nH]n1 ZINC000282282552 375446588 /nfs/dbraw/zinc/44/65/88/375446588.db2.gz PSCVKJIHNOMFBF-NSHDSACASA-N 0 1 287.323 2.405 20 5 CEBDMN Cc1ccc([C@H](C)N[C@@H](C)C(=O)NCCF)cc1[N+](=O)[O-] ZINC000282809855 375580330 /nfs/dbraw/zinc/58/03/30/375580330.db2.gz RGCYQMHXXBKGRZ-QWRGUYRKSA-N 0 1 297.330 2.028 20 5 CEBDMN CCN1CCN(c2ncc(Cl)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000286232520 375879647 /nfs/dbraw/zinc/87/96/47/375879647.db2.gz DRVNGJRGLGDXTL-SECBINFHSA-N 0 1 284.747 2.174 20 5 CEBDMN CCC[C@H]1CNCCN1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000414657907 375904114 /nfs/dbraw/zinc/90/41/14/375904114.db2.gz KPZWMLMBPYMYRK-ZDUSSCGKSA-N 0 1 292.339 2.201 20 5 CEBDMN Cc1[nH]nc(C(=O)N2[C@H](C)CCC[C@H]2C)c1[N+](=O)[O-] ZINC000264725765 190130763 /nfs/dbraw/zinc/13/07/63/190130763.db2.gz YKXFWXGURBUMAP-HTQZYQBOSA-N 0 1 266.301 2.029 20 5 CEBDMN CN(Cc1c([N+](=O)[O-])ncn1C)C1CCCCC1 ZINC000331073189 377268599 /nfs/dbraw/zinc/26/85/99/377268599.db2.gz UCHVGQZRTDYVAR-UHFFFAOYSA-N 0 1 252.318 2.093 20 5 CEBDMN CCOc1cc(CN2CC[C@@H](O)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000331182685 377317491 /nfs/dbraw/zinc/31/74/91/377317491.db2.gz RUQYIRVKJXFUSB-BXUZGUMPSA-N 0 1 294.351 2.196 20 5 CEBDMN CCOc1cc(CN2CC[C@@H](O)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000331182689 377317568 /nfs/dbraw/zinc/31/75/68/377317568.db2.gz RUQYIRVKJXFUSB-SMDDNHRTSA-N 0 1 294.351 2.196 20 5 CEBDMN Cc1ccnc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)c1 ZINC000427897697 377463528 /nfs/dbraw/zinc/46/35/28/377463528.db2.gz QXYOZMWPAMUOMH-UHFFFAOYSA-N 0 1 273.248 2.256 20 5 CEBDMN CC[C@H](C)[C@H](CNC(=O)c1cc(O)cc([N+](=O)[O-])c1)OC ZINC000295324569 378106483 /nfs/dbraw/zinc/10/64/83/378106483.db2.gz BDOVQRPHRRXATN-ZANVPECISA-N 0 1 296.323 2.091 20 5 CEBDMN Cc1nc([C@H]2CCCCN2c2ccc([N+](=O)[O-])nc2)n[nH]1 ZINC000450496645 378451653 /nfs/dbraw/zinc/45/16/53/378451653.db2.gz ACJQDVCCFHJVOJ-LLVKDONJSA-N 0 1 288.311 2.148 20 5 CEBDMN Cc1nc(NC[C@@H](C)[N@H+]2CCC[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000296541884 378568449 /nfs/dbraw/zinc/56/84/49/378568449.db2.gz NYISJZJAXLRNER-GHMZBOCLSA-N 0 1 293.371 2.226 20 5 CEBDMN Cc1cccc(NCCN2C[C@H]3CC[C@@H](C2)O3)c1[N+](=O)[O-] ZINC000450796693 378585215 /nfs/dbraw/zinc/58/52/15/378585215.db2.gz WBQLSCXRGYALTL-BETUJISGSA-N 0 1 291.351 2.178 20 5 CEBDMN CC[C@H](N[C@@H]1CCCc2ccc([N+](=O)[O-])cc21)C(=O)NC ZINC000453413157 378893861 /nfs/dbraw/zinc/89/38/61/378893861.db2.gz SKMSBGNZSNNKKE-UONOGXRCSA-N 0 1 291.351 2.086 20 5 CEBDMN Cc1[nH]nc(C(=O)N(C)Cc2ccccc2C)c1[N+](=O)[O-] ZINC000299428501 378995310 /nfs/dbraw/zinc/99/53/10/378995310.db2.gz BGKBTIKORUCNQC-UHFFFAOYSA-N 0 1 288.307 2.207 20 5 CEBDMN C[C@H](O)[C@@H]1CCCCN1Cc1ccc([N+](=O)[O-])cc1F ZINC000304524901 379584437 /nfs/dbraw/zinc/58/44/37/379584437.db2.gz YYIXVUPCNXFSTP-HZMBPMFUSA-N 0 1 282.315 2.469 20 5 CEBDMN C[C@H]1[C@@H](C(F)(F)F)CCN1CCn1cc([N+](=O)[O-])cn1 ZINC000348223341 218511708 /nfs/dbraw/zinc/51/17/08/218511708.db2.gz FFQMSYAHZNHYBT-WPRPVWTQSA-N 0 1 292.261 2.064 20 5 CEBDMN O=[N+]([O-])c1cnc2c(c1)CN([C@H]1C=CCCC1)CC2 ZINC000347786486 285184970 /nfs/dbraw/zinc/18/49/70/285184970.db2.gz BBKPOXFPTGQWTF-LBPRGKRZSA-N 0 1 259.309 2.457 20 5 CEBDMN COC(=O)[C@]1(C)CCCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000412096740 533590256 /nfs/dbraw/zinc/59/02/56/533590256.db2.gz FZOGANLAJAMLTF-OAHLLOKOSA-N 0 1 292.335 2.370 20 5 CEBDMN CC(C)N(C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000264020164 131379952 /nfs/dbraw/zinc/37/99/52/131379952.db2.gz GCMRECTXCNNQBE-UHFFFAOYSA-N 0 1 288.307 2.484 20 5 CEBDMN CC[C@H](C)N(C)C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000331220236 394629412 /nfs/dbraw/zinc/62/94/12/394629412.db2.gz UFHMKZKFRBFQEK-QMMMGPOBSA-N 0 1 268.317 2.312 20 5 CEBDMN Cc1nc(CCNc2ccc([N+](=O)[O-])c3cccnc23)n[nH]1 ZINC000356848105 394630578 /nfs/dbraw/zinc/63/05/78/394630578.db2.gz DHMXXNNJJJLHHO-UHFFFAOYSA-N 0 1 298.306 2.224 20 5 CEBDMN Cc1nnc(CCNc2ccc([N+](=O)[O-])c3cccnc23)[nH]1 ZINC000356848105 394630582 /nfs/dbraw/zinc/63/05/82/394630582.db2.gz DHMXXNNJJJLHHO-UHFFFAOYSA-N 0 1 298.306 2.224 20 5 CEBDMN C[C@H]1SCCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)[C@H]1C ZINC000269275536 394716800 /nfs/dbraw/zinc/71/68/00/394716800.db2.gz IJERQCBXSDGJJJ-DTWKUNHWSA-N 0 1 296.348 2.266 20 5 CEBDMN CC1=C(C)CN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000280826224 394852358 /nfs/dbraw/zinc/85/23/58/394852358.db2.gz VIYPIKFMXAAQGL-UHFFFAOYSA-N 0 1 289.335 2.236 20 5 CEBDMN O=[N+]([O-])c1ccc(O)cc1CN[C@H](CCO)c1ccco1 ZINC000339097821 394942857 /nfs/dbraw/zinc/94/28/57/394942857.db2.gz WKZMICOABYQDDJ-GFCCVEGCSA-N 0 1 292.291 2.107 20 5 CEBDMN CO[C@H](C)CNCc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000191149206 395350246 /nfs/dbraw/zinc/35/02/46/395350246.db2.gz NEMNBVFGQFLWBE-MRVPVSSYSA-N 0 1 290.266 2.321 20 5 CEBDMN C[C@H]1OCC[C@]1(C)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444704461 395447115 /nfs/dbraw/zinc/44/71/15/395447115.db2.gz LISDTMVQFZIBIA-OTYXRUKQSA-N 0 1 290.323 2.128 20 5 CEBDMN CN(Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)CC1CC1 ZINC000444591864 395438279 /nfs/dbraw/zinc/43/82/79/395438279.db2.gz OEPXGFYSGKPKCZ-UHFFFAOYSA-N 0 1 260.297 2.313 20 5 CEBDMN CC1=C[C@H](C)CN(C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])C1 ZINC000436030390 400579325 /nfs/dbraw/zinc/57/93/25/400579325.db2.gz UYKBHURXRWYVGP-VIFPVBQESA-N 0 1 292.339 2.480 20 5 CEBDMN Cc1c(C[N@H+]2C[C@H](C)C[C@@H](C(=O)[O-])C2)cccc1[N+](=O)[O-] ZINC000263110685 154020515 /nfs/dbraw/zinc/02/05/15/154020515.db2.gz BSHMCHXHQXQQHP-ZWNOBZJWSA-N 0 1 292.335 2.446 20 5 CEBDMN COc1ccc([N+](=O)[O-])cc1C[N@@H+]([C@@H](C)C(=O)[O-])C1CC1 ZINC000263364280 154069213 /nfs/dbraw/zinc/06/92/13/154069213.db2.gz VNOFNOXOHDKYJN-VIFPVBQESA-N 0 1 294.307 2.041 20 5 CEBDMN Cc1cccc([C@@H]2CCCN2C(=O)[C@H]2CC2[N+](=O)[O-])c1 ZINC000363636070 156038498 /nfs/dbraw/zinc/03/84/98/156038498.db2.gz UKGOJRKPCIZXOK-MELADBBJSA-N 0 1 274.320 2.324 20 5 CEBDMN COc1cc([N+](=O)[O-])ccc1CN1CCC[C@](C)(O)CC1 ZINC000366756752 156081656 /nfs/dbraw/zinc/08/16/56/156081656.db2.gz LINVRVZYWVPLHL-HNNXBMFYSA-N 0 1 294.351 2.340 20 5 CEBDMN C[C@@H]1C[C@H](c2ccccc2)CCN1C(=O)[C@H]1CC1[N+](=O)[O-] ZINC000366950861 156107413 /nfs/dbraw/zinc/10/74/13/156107413.db2.gz HJUYKPGHLKARRM-REBRKWNGSA-N 0 1 288.347 2.446 20 5 CEBDMN C[C@@H]1CCOCCN1CCOc1ccccc1[N+](=O)[O-] ZINC000367655504 156222122 /nfs/dbraw/zinc/22/21/22/156222122.db2.gz DCQNIERNYJXNRD-GFCCVEGCSA-N 0 1 280.324 2.084 20 5 CEBDMN Cn1cccc1[C@@H]1CCCCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000368762939 156397896 /nfs/dbraw/zinc/39/78/96/156397896.db2.gz YEQKNHLLUBWPSR-KWCYVHTRSA-N 0 1 291.351 2.134 20 5 CEBDMN Cc1cc(C(=O)Nc2ccc3[nH]nnc3c2)ccc1[N+](=O)[O-] ZINC000176712423 165169353 /nfs/dbraw/zinc/16/93/53/165169353.db2.gz JBPXAPYOYRJHDN-UHFFFAOYSA-N 0 1 297.274 2.427 20 5 CEBDMN CN1CCC[C@H](NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000040690804 174377015 /nfs/dbraw/zinc/37/70/15/174377015.db2.gz GHXBYBIUDSGPLA-JTQLQIEISA-N 0 1 297.742 2.072 20 5 CEBDMN CCCN1CCN(c2cccc(C)c2[N+](=O)[O-])CC1 ZINC000188366621 262292354 /nfs/dbraw/zinc/29/23/54/262292354.db2.gz DTPBMSRYYAWMEX-UHFFFAOYSA-N 0 1 263.341 2.435 20 5 CEBDMN C[C@H]1CC[C@H](C(=O)[O-])C[N@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000397092597 270351254 /nfs/dbraw/zinc/35/12/54/270351254.db2.gz XANMHVYZJZJYOU-WPRPVWTQSA-N 0 1 284.337 2.341 20 5 CEBDMN O=C(Nc1cccc2[nH]cnc21)c1cc(O)cc([N+](=O)[O-])c1 ZINC000428047373 271240277 /nfs/dbraw/zinc/24/02/77/271240277.db2.gz JEXZFFJRZAJOCG-UHFFFAOYSA-N 0 1 298.258 2.429 20 5 CEBDMN CC1(C)CN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCN1 ZINC000148056921 275842125 /nfs/dbraw/zinc/84/21/25/275842125.db2.gz KHZPUBHPLKMCNQ-UHFFFAOYSA-N 0 1 297.742 2.072 20 5 CEBDMN CC(C)c1[nH]nc(C(=O)N2C[C@H]3CCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000269520334 278001659 /nfs/dbraw/zinc/00/16/59/278001659.db2.gz QDGIXEKHOGMUNX-NXEZZACHSA-N 0 1 292.339 2.313 20 5 CEBDMN COc1cccc(N2CCN(C3CCC3)CC2)c1[N+](=O)[O-] ZINC000274692950 278016051 /nfs/dbraw/zinc/01/60/51/278016051.db2.gz MOFLDECTGVXUBA-UHFFFAOYSA-N 0 1 291.351 2.278 20 5 CEBDMN O=[N+]([O-])c1ccc(O)cc1CN[C@H](CO)c1ccsc1 ZINC000339096749 280368900 /nfs/dbraw/zinc/36/89/00/280368900.db2.gz RFIABMCAGFSODJ-GFCCVEGCSA-N 0 1 294.332 2.185 20 5 CEBDMN C[C@@]1(F)CCN(Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000339059953 289186779 /nfs/dbraw/zinc/18/67/79/289186779.db2.gz CYUOXJYQRQKHTL-GFCCVEGCSA-N 0 1 254.261 2.234 20 5 CEBDMN CC/C=C\CCN1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000459503114 290166273 /nfs/dbraw/zinc/16/62/73/290166273.db2.gz FLKANPNPPFDMOO-ARJAWSKDSA-N 0 1 290.367 2.468 20 5 CEBDMN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CC(CCO)C1 ZINC000459585592 290186983 /nfs/dbraw/zinc/18/69/83/290186983.db2.gz BGRSUGZVBLFPLD-GHXNOFRVSA-N 0 1 276.336 2.312 20 5 CEBDMN Cc1nc([C@@H]2CCCCN2c2ccc([N+](=O)[O-])cn2)n[nH]1 ZINC000371107781 293367268 /nfs/dbraw/zinc/36/72/68/293367268.db2.gz PQIWUAQXZKTFBP-NSHDSACASA-N 0 1 288.311 2.148 20 5 CEBDMN CCN1C[C@H](N[C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1=O ZINC000562789487 298711421 /nfs/dbraw/zinc/71/14/21/298711421.db2.gz CWMUURJYPYLDSB-VXGBXAGGSA-N 0 1 291.351 2.175 20 5 CEBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCc1cnn(C)c1 ZINC000531957209 313334982 /nfs/dbraw/zinc/33/49/82/313334982.db2.gz GTAICGUMBISTLA-NSHDSACASA-N 0 1 274.324 2.488 20 5 CEBDMN O=[N+]([O-])c1ccc(CN2CC[C@@H](Nc3ncccn3)C2)cc1 ZINC000572037828 314117631 /nfs/dbraw/zinc/11/76/31/314117631.db2.gz LWXRKGJFDXENBL-CYBMUJFWSA-N 0 1 299.334 2.071 20 5 CEBDMN O=[N+]([O-])c1ccc(CSCCc2c[nH]nn2)cc1 ZINC000577389065 314371842 /nfs/dbraw/zinc/37/18/42/314371842.db2.gz QJVDSZDBODKCMA-UHFFFAOYSA-N 0 1 264.310 2.189 20 5 CEBDMN CCCN(C)CC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000049480540 521486198 /nfs/dbraw/zinc/48/61/98/521486198.db2.gz JANXAZAEVFKEEZ-UHFFFAOYSA-N 0 1 265.313 2.184 20 5 CEBDMN CCC(C)(C)OCCNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000457348598 517532335 /nfs/dbraw/zinc/53/23/35/517532335.db2.gz VYUJUODBEJSWIZ-UHFFFAOYSA-N 0 1 296.323 2.235 20 5 CEBDMN C[C@@H](C[N@@H+](C)Cc1ccc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC000050444744 524575373 /nfs/dbraw/zinc/57/53/73/524575373.db2.gz SHZMAOUGGWMXMN-QMMMGPOBSA-N 0 1 286.715 2.401 20 5 CEBDMN C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000364815830 525459120 /nfs/dbraw/zinc/45/91/20/525459120.db2.gz CHLDSWZFNBXMOZ-QEGRKFQGSA-N 0 1 292.310 2.195 20 5 CEBDMN C[C@@H]1C[C@H](c2cccs2)CN1C(=O)[C@H]1CC1[N+](=O)[O-] ZINC000370996249 525470937 /nfs/dbraw/zinc/47/09/37/525470937.db2.gz CSYPVNKUXJXJIO-RCWTZXSCSA-N 0 1 280.349 2.118 20 5 CEBDMN Cc1nn(C)c(C)c1CNCc1cccc([N+](=O)[O-])c1 ZINC000052329870 527637477 /nfs/dbraw/zinc/63/74/77/527637477.db2.gz QFYVTIJFTSAMRP-UHFFFAOYSA-N 0 1 274.324 2.235 20 5 CEBDMN COc1ccc([N+](=O)[O-])cc1CN1[C@@H](C)CC(O)C[C@@H]1C ZINC000191268475 536951889 /nfs/dbraw/zinc/95/18/89/536951889.db2.gz RDYDYVJVRXNPOS-QWRGUYRKSA-N 0 1 294.351 2.337 20 5 CEBDMN CCc1cc(CNc2ncc(C)cc2[N+](=O)[O-])n[nH]1 ZINC000742430088 575021677 /nfs/dbraw/zinc/02/16/77/575021677.db2.gz RTQFRQDFNOELOT-UHFFFAOYSA-N 0 1 261.285 2.196 20 5 CEBDMN Cc1nn(CN2CCC[C@H](C)C2)c2ncc([N+](=O)[O-])cc12 ZINC000749938832 575240803 /nfs/dbraw/zinc/24/08/03/575240803.db2.gz ULJBBQRHZPADKX-JTQLQIEISA-N 0 1 289.339 2.337 20 5 CEBDMN C[C@H]1C[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C[C@@H]1C(=O)[O-] ZINC000093633549 601526542 /nfs/dbraw/zinc/52/65/42/601526542.db2.gz JBGBISMBBHOLDL-KWQFWETISA-N 0 1 298.726 2.401 20 5 CEBDMN COc1c(O)ccc(C[N@H+]2CC[C@H](C)C2)c1[N+](=O)[O-] ZINC000891799276 623979165 /nfs/dbraw/zinc/97/91/65/623979165.db2.gz VDZVNSMGDVLILE-VIFPVBQESA-N 0 1 266.297 2.151 20 5 CEBDMN COc1c(O)ccc(CN2CC[C@H](C)C2)c1[N+](=O)[O-] ZINC000891799276 623979168 /nfs/dbraw/zinc/97/91/68/623979168.db2.gz VDZVNSMGDVLILE-VIFPVBQESA-N 0 1 266.297 2.151 20 5 CEBDMN CC(C)C(N)=NOCc1ccc([N+](=O)[O-])c(F)c1 ZINC000820705400 634508097 /nfs/dbraw/zinc/50/80/97/634508097.db2.gz CDLRAPPFVPSPSF-UHFFFAOYSA-N 0 1 255.249 2.388 20 5 CEBDMN CC(C)C[C@H](O)CNCc1csc([N+](=O)[O-])c1 ZINC000225588917 627829501 /nfs/dbraw/zinc/82/95/01/627829501.db2.gz OTRZNTRUTCNMLP-JTQLQIEISA-N 0 1 258.343 2.153 20 5 CEBDMN CSc1c(F)cc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1F ZINC000840424151 634653475 /nfs/dbraw/zinc/65/34/75/634653475.db2.gz MSZDBCOJNDUCHX-HZGVNTEJSA-N 0 1 288.275 2.290 20 5 CEBDMN COC(=O)/C(C)=C/CN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000932180331 628983325 /nfs/dbraw/zinc/98/33/25/628983325.db2.gz RNKYJDWBDSUVED-RJCSOLBVSA-N 0 1 278.308 2.365 20 5 CEBDMN Cc1ccc(OC(=O)[C@@H]2CC2[N+](=O)[O-])c(Cl)c1 ZINC000841124930 629209840 /nfs/dbraw/zinc/20/98/40/629209840.db2.gz AIQFZUFGEIPFBI-VXNVDRBHSA-N 0 1 255.657 2.219 20 5 CEBDMN C[C@]12CN(Cn3nccc3[N+](=O)[O-])C[C@H]1[C@H]1CC[C@@H]2C1 ZINC000902615755 634746212 /nfs/dbraw/zinc/74/62/12/634746212.db2.gz IRWVVVNEUHUZPM-KZVDOYCCSA-N 0 1 276.340 2.117 20 5 CEBDMN C[C@H]1[C@H](NC(=O)c2c(Cl)cccc2[N+](=O)[O-])CCN1C ZINC000928442335 629674712 /nfs/dbraw/zinc/67/47/12/629674712.db2.gz QDYYRNOWAOXBRK-WCBMZHEXSA-N 0 1 297.742 2.071 20 5 CEBDMN CC1=NO[C@H](CNCc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000895309978 630098976 /nfs/dbraw/zinc/09/89/76/630098976.db2.gz DNSZLVPFBKMLJL-LBPRGKRZSA-N 0 1 263.297 2.158 20 5 CEBDMN CC(C)(C)N1CC[C@@H]1C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000895798119 630353525 /nfs/dbraw/zinc/35/35/25/630353525.db2.gz ATNVCCFFJPMKBG-CYBMUJFWSA-N 0 1 291.351 2.084 20 5 CEBDMN Cn1cc(C(C)(C)NCc2ccc([N+](=O)[O-])c(F)c2)cn1 ZINC000801540753 631285558 /nfs/dbraw/zinc/28/55/58/631285558.db2.gz FEITXIKNQKGNBY-UHFFFAOYSA-N 0 1 292.314 2.492 20 5 CEBDMN CC(C)c1nc(COC(=O)c2ccc([N+](=O)[O-])[nH]2)co1 ZINC000802969785 631493176 /nfs/dbraw/zinc/49/31/76/631493176.db2.gz NEVMQNPADHKCLF-UHFFFAOYSA-N 0 1 279.252 2.391 20 5 CEBDMN C[C@H](CNCc1cocn1)c1ccccc1[N+](=O)[O-] ZINC000897464823 631532193 /nfs/dbraw/zinc/53/21/93/631532193.db2.gz PAJVZWOSNWZQGR-SNVBAGLBSA-N 0 1 261.281 2.476 20 5 CEBDMN O=[N+]([O-])c1ccccc1CNCc1ccc(CCO)cc1 ZINC000898172324 632080052 /nfs/dbraw/zinc/08/00/52/632080052.db2.gz BQNYBTKPZXGEPZ-UHFFFAOYSA-N 0 1 286.331 2.419 20 5 CEBDMN C[C@@H](CO)N(C)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000809743338 632136481 /nfs/dbraw/zinc/13/64/81/632136481.db2.gz XVABXXCVMCSGEK-QMMMGPOBSA-N 0 1 258.705 2.061 20 5 CEBDMN CC(C)[C@H]1CC[C@@H](C)C[C@@H]1NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840271556 632602726 /nfs/dbraw/zinc/60/27/26/632602726.db2.gz ZJAUQENUZRCBHY-NJMOYASZSA-N 0 1 268.357 2.229 20 5 CEBDMN CC1CCC(N(C(=O)[C@@H]2CC2[N+](=O)[O-])C2CC2)CC1 ZINC000840294573 632727307 /nfs/dbraw/zinc/72/73/07/632727307.db2.gz PZAFBNJBVYOPLB-IOCWDNCASA-N 0 1 266.341 2.221 20 5 CEBDMN CC[C@@H]1C[N@@H+](C)CCN1c1ccc([N+](=O)[O-])cc1F ZINC000814938130 632936305 /nfs/dbraw/zinc/93/63/05/632936305.db2.gz WKCHPPSSDLUUBA-SNVBAGLBSA-N 0 1 267.304 2.264 20 5 CEBDMN CC[C@@H]1CN(C)CCN1c1ccc([N+](=O)[O-])cc1F ZINC000814938130 632936308 /nfs/dbraw/zinc/93/63/08/632936308.db2.gz WKCHPPSSDLUUBA-SNVBAGLBSA-N 0 1 267.304 2.264 20 5 CEBDMN Cc1cc(CN[C@H](C)c2ccc(N)c([N+](=O)[O-])c2)[nH]n1 ZINC000815583046 633034569 /nfs/dbraw/zinc/03/45/69/633034569.db2.gz VSRFHWNXNJIXBC-SECBINFHSA-N 0 1 275.312 2.059 20 5 CEBDMN Cc1cc(CN[C@H](C)c2ccc(N)c([N+](=O)[O-])c2)n[nH]1 ZINC000815583046 633034573 /nfs/dbraw/zinc/03/45/73/633034573.db2.gz VSRFHWNXNJIXBC-SECBINFHSA-N 0 1 275.312 2.059 20 5 CEBDMN O=C(OCc1cc(O)ccc1[N+](=O)[O-])[C@@H]1CC12CC2 ZINC000817233143 633601975 /nfs/dbraw/zinc/60/19/75/633601975.db2.gz RPNSPIPQDSEXOL-JTQLQIEISA-N 0 1 263.249 2.144 20 5 CEBDMN Nc1ccc(-c2noc([C@@H]3CCCCN3)n2)cc1[N+](=O)[O-] ZINC000822635017 634960113 /nfs/dbraw/zinc/96/01/13/634960113.db2.gz NHYVVEAGVNSIHY-JTQLQIEISA-N 0 1 289.295 2.042 20 5 CEBDMN C[C@H]1CCN[C@@H](c2nc(-c3ccc([N+](=O)[O-])o3)no2)C1 ZINC000823269685 635118855 /nfs/dbraw/zinc/11/88/55/635118855.db2.gz JVJQXRCALFRLPT-JGVFFNPUSA-N 0 1 278.268 2.298 20 5 CEBDMN COc1cc2c(cc1OC)[C@@H](NCC[N+](=O)[O-])CCCC2 ZINC000905439763 636280980 /nfs/dbraw/zinc/28/09/80/636280980.db2.gz NMJNVCFXVYGADJ-ZDUSSCGKSA-N 0 1 294.351 2.338 20 5 CEBDMN O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CC[C@H](CCCO)C1 ZINC000832782063 637668897 /nfs/dbraw/zinc/66/88/97/637668897.db2.gz GKXJNGYZWPFUMO-NSHDSACASA-N 0 1 282.315 2.328 20 5 CEBDMN O=[N+]([O-])c1ccc(F)cc1CN1CC[C@H](CCCO)C1 ZINC000832782063 637668901 /nfs/dbraw/zinc/66/89/01/637668901.db2.gz GKXJNGYZWPFUMO-NSHDSACASA-N 0 1 282.315 2.328 20 5 CEBDMN C[C@]1(CNCc2cc([N+](=O)[O-])ccc2Cl)CCC(=O)N1 ZINC000835059863 638043752 /nfs/dbraw/zinc/04/37/52/638043752.db2.gz FQOFNBFZLCZKLW-CYBMUJFWSA-N 0 1 297.742 2.007 20 5 CEBDMN O=C(/C=C/C1CC1)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837551046 639278348 /nfs/dbraw/zinc/27/83/48/639278348.db2.gz UCPFYLGRRBJXHN-ZZXKWVIFSA-N 0 1 263.249 2.310 20 5 CEBDMN COCC(C)(C)C(=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837597241 639301985 /nfs/dbraw/zinc/30/19/85/639301985.db2.gz SEBNPILXGVTKQD-UHFFFAOYSA-N 0 1 283.280 2.016 20 5 CEBDMN CC[C@@H](C)[C@H](OC)C(=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837696757 639347238 /nfs/dbraw/zinc/34/72/38/639347238.db2.gz QNZAEVUICAOKQY-RNCFNFMXSA-N 0 1 297.307 2.405 20 5 CEBDMN CC(C)[C@@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1ccccc1 ZINC000840672705 639521425 /nfs/dbraw/zinc/52/14/25/639521425.db2.gz LTXXAURWRWOZGI-YRGRVCCFSA-N 0 1 291.303 2.102 20 5 CEBDMN CCO[C@@H]1C[C@H](OC(=O)[C@@H]2CC2[N+](=O)[O-])C12CCCCC2 ZINC000842314418 640009583 /nfs/dbraw/zinc/00/95/83/640009583.db2.gz YSIYGXNAWVHXBT-LPWJVIDDSA-N 0 1 297.351 2.323 20 5 CEBDMN O=C(O[C@@H]1CCCc2ccc(F)cc21)[C@@H]1CC1[N+](=O)[O-] ZINC000842348054 640024865 /nfs/dbraw/zinc/02/48/65/640024865.db2.gz HGTXMLYWZFCVTJ-JHJVBQTASA-N 0 1 279.267 2.412 20 5 CEBDMN CCCN[C@H](C)c1nc(CCC(C)(C)[N+](=O)[O-])no1 ZINC000843232767 640361226 /nfs/dbraw/zinc/36/12/26/640361226.db2.gz BWUFAJMVTBKRCQ-SECBINFHSA-N 0 1 270.333 2.118 20 5 CEBDMN Cc1nn(CN(C)[C@H](C)C(C)C)c(C)c1[N+](=O)[O-] ZINC000915209183 640529316 /nfs/dbraw/zinc/52/93/16/640529316.db2.gz KKQQEFQXAJPLSZ-SNVBAGLBSA-N 0 1 254.334 2.342 20 5 CEBDMN O=[N+]([O-])c1ccc(O)cc1CSCCC1(O)CC1 ZINC000844646598 640794272 /nfs/dbraw/zinc/79/42/72/640794272.db2.gz VYQANYRSYXVITH-UHFFFAOYSA-N 0 1 269.322 2.449 20 5 CEBDMN CCC(CC)N(Cn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000918179977 640947733 /nfs/dbraw/zinc/94/77/33/640947733.db2.gz UQCJYTMGUJUYPW-UHFFFAOYSA-N 0 1 252.318 2.402 20 5 CEBDMN CC1(C)OCC(N[C@@H]2CCc3c2cccc3[N+](=O)[O-])CO1 ZINC000848545759 642046494 /nfs/dbraw/zinc/04/64/94/642046494.db2.gz JMYNACWBLGISGD-CYBMUJFWSA-N 0 1 292.335 2.323 20 5 CEBDMN O=[N+]([O-])c1ccc(CNCCOC2CCOCC2)c(F)c1 ZINC000922928868 643459666 /nfs/dbraw/zinc/45/96/66/643459666.db2.gz DJTCCVCBGYTWDW-UHFFFAOYSA-N 0 1 298.314 2.019 20 5 CEBDMN O=[N+]([O-])c1ccc2c(cnn2CN2CC[C@H]3C[C@H]3C2)c1 ZINC000853579713 643820743 /nfs/dbraw/zinc/82/07/43/643820743.db2.gz MNNMDJBSOPPMJJ-JQWIXIFHSA-N 0 1 272.308 2.244 20 5 CEBDMN O=C(N[C@@H]1CCSc2c(F)cccc21)[C@@H]1CC1[N+](=O)[O-] ZINC000839468896 644236454 /nfs/dbraw/zinc/23/64/54/644236454.db2.gz BANPQIOPBGOTSC-FBIMIBRVSA-N 0 1 296.323 2.144 20 5 CEBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCCC2(CCCC2)CC1 ZINC000855364846 644319818 /nfs/dbraw/zinc/31/98/18/644319818.db2.gz FYKWGDMAMRIDPY-VXGBXAGGSA-N 0 1 266.341 2.225 20 5 CEBDMN O=[N+]([O-])c1cnc2c(c1)CN(C/C=C/Cl)CC2 ZINC000754217866 644342501 /nfs/dbraw/zinc/34/25/01/644342501.db2.gz FTIFYQCZZXVXQM-HNQUOIGGSA-N 0 1 253.689 2.100 20 5 CEBDMN COC(=O)C[C@H](NCc1ccc([N+](=O)[O-])cc1F)C1CC1 ZINC000754543784 644387989 /nfs/dbraw/zinc/38/79/89/644387989.db2.gz YYKYLMGKMHARGF-ZDUSSCGKSA-N 0 1 296.298 2.165 20 5 CEBDMN CC1(C)C[C@@]1(CNC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccccc1 ZINC000856514261 644692208 /nfs/dbraw/zinc/69/22/08/644692208.db2.gz ZRZWYDUUFWQMED-XJKCOSOUSA-N 0 1 288.347 2.136 20 5 CEBDMN C[C@H]1C[C@H](c2cccc(F)c2)N(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839689898 644774591 /nfs/dbraw/zinc/77/45/91/644774591.db2.gz AFVBKFCJRBGGPP-KQURDKLPSA-N 0 1 292.310 2.400 20 5 CEBDMN C[C@H]1[C@H](CO)CCCN1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000839669141 644777660 /nfs/dbraw/zinc/77/76/60/644777660.db2.gz MKCPGMSUNRDBPE-QWRGUYRKSA-N 0 1 282.315 2.327 20 5 CEBDMN O=C(NCC1(Cc2ccccc2)CCC1)[C@@H]1CC1[N+](=O)[O-] ZINC000839700202 644777673 /nfs/dbraw/zinc/77/76/73/644777673.db2.gz CXNQFNJSRZYLKW-ZIAGYGMSSA-N 0 1 288.347 2.181 20 5 CEBDMN CCCC[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])C1CCC1 ZINC000839700773 644777898 /nfs/dbraw/zinc/77/78/98/644777898.db2.gz JUEOMUOWPCSMOG-GRYCIOLGSA-N 0 1 254.330 2.127 20 5 CEBDMN CCc1c(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cnn1C(CC)CC ZINC000839732159 644795728 /nfs/dbraw/zinc/79/57/28/644795728.db2.gz BAGVOJFIQPVIPR-ZWNOBZJWSA-N 0 1 294.355 2.410 20 5 CEBDMN C[C@@H]1C[C@@H](C(C)(C)C)CCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839768324 644798666 /nfs/dbraw/zinc/79/86/66/644798666.db2.gz BYKGOYGSTLTKEJ-WRWGMCAJSA-N 0 1 268.357 2.325 20 5 CEBDMN O=C(O[C@H](C1CC1)C(F)(F)F)c1ccc([N+](=O)[O-])[nH]1 ZINC000761262934 645262535 /nfs/dbraw/zinc/26/25/35/645262535.db2.gz LRYDEKHHRDALDH-MRVPVSSYSA-N 0 1 278.186 2.421 20 5 CEBDMN C[C@H]1CN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@@H](C)CN1C ZINC000768525728 646135571 /nfs/dbraw/zinc/13/55/71/646135571.db2.gz KWKCIVKOZZQOAF-UWVGGRQHSA-N 0 1 294.311 2.032 20 5 CEBDMN COc1cc(F)c([N+](=O)[O-])c(NCc2cc(C)[nH]n2)c1 ZINC000771203743 646499893 /nfs/dbraw/zinc/49/98/93/646499893.db2.gz JGGCBYDWOAYLCC-UHFFFAOYSA-N 0 1 280.259 2.386 20 5 CEBDMN O=C(N[C@@H](CCc1ccccc1)C(F)F)[C@@H]1CC1[N+](=O)[O-] ZINC000862807139 646576857 /nfs/dbraw/zinc/57/68/57/646576857.db2.gz HKTSCKJPYYZGSR-GRYCIOLGSA-N 0 1 298.289 2.034 20 5 CEBDMN O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2NCc2ccon2)n1 ZINC000774206200 646818805 /nfs/dbraw/zinc/81/88/05/646818805.db2.gz DAVMIKPAGOFSCN-NEPJUHHUSA-N 0 1 291.311 2.053 20 5 CEBDMN C[C@H](Cc1ccco1)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000780361365 647421155 /nfs/dbraw/zinc/42/11/55/647421155.db2.gz HUYCWTPSATVZLO-SECBINFHSA-N 0 1 290.275 2.254 20 5 CEBDMN CC[C@@H]1CN(Cc2ccc([N+](=O)[O-])c(Cl)c2)C[C@@H]1O ZINC000783579736 647731772 /nfs/dbraw/zinc/73/17/72/647731772.db2.gz IADGKCPHRWWYFI-MFKMUULPSA-N 0 1 284.743 2.451 20 5 CEBDMN CC(C)(C)[C@H]1CCN(Cn2nccc2[N+](=O)[O-])C1 ZINC000784033956 647791261 /nfs/dbraw/zinc/79/12/61/647791261.db2.gz IIZYTXDRVYXHBR-JTQLQIEISA-N 0 1 252.318 2.117 20 5 CEBDMN C[C@@H]1CCC[C@H]1NC(=O)[C@@](C)(N)c1cccc([N+](=O)[O-])c1 ZINC000867956706 648001453 /nfs/dbraw/zinc/00/14/53/648001453.db2.gz SDDOCIDSSUTYFP-YVLXSGLVSA-N 0 1 291.351 2.074 20 5 CEBDMN COc1ccc([N+](=O)[O-])cc1CON=C(N)C(C)C ZINC000871741472 649165025 /nfs/dbraw/zinc/16/50/25/649165025.db2.gz UCDHBKVEDMJTGS-UHFFFAOYSA-N 0 1 267.285 2.258 20 5 CEBDMN O=C([O-])[C@@H]1CCC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000874051511 649743182 /nfs/dbraw/zinc/74/31/82/649743182.db2.gz RAQVMIXFRGZPAM-VUUYWXRKSA-N 0 1 290.319 2.405 20 5 CEBDMN C[C@@H]1CN(c2cc(Cl)ncc2[N+](=O)[O-])[C@@H](C)CN1C ZINC001164642311 719167715 /nfs/dbraw/zinc/16/77/15/719167715.db2.gz XJDBMFKOCUGGMF-BDAKNGLRSA-N 0 1 284.747 2.172 20 5 CEBDMN CCC[C@H](CC)Oc1nc(C)[nH]c(=O)c1[N+](=O)[O-] ZINC001229380911 806478233 /nfs/dbraw/zinc/47/82/33/806478233.db2.gz NESXQSRXEWZTAT-QMMMGPOBSA-N 0 1 255.274 2.356 20 5 CEBDMN C[N@H+]1CC[C@@H]1CNc1ccc(Cl)cc1[N+](=O)[O-] ZINC000712530608 814763861 /nfs/dbraw/zinc/76/38/61/814763861.db2.gz PIJPHFOAVFPTIZ-SECBINFHSA-N 0 1 255.705 2.364 20 5 CEBDMN CN1CC[C@@H]1CNc1ccc(Cl)cc1[N+](=O)[O-] ZINC000712530608 814763866 /nfs/dbraw/zinc/76/38/66/814763866.db2.gz PIJPHFOAVFPTIZ-SECBINFHSA-N 0 1 255.705 2.364 20 5 CEBDMN C[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccc(Cl)c(F)c1 ZINC001117998436 814974337 /nfs/dbraw/zinc/97/43/37/814974337.db2.gz YYHYFSUEDKGQNN-FMTFEUNWSA-N 0 1 286.690 2.322 20 5 CEBDMN CC[C@@H](C)[C@@H](C(=O)[O-])[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001119607009 815137980 /nfs/dbraw/zinc/13/79/80/815137980.db2.gz VHWMSELDUXJHQZ-YGRLFVJLSA-N 0 1 292.335 2.452 20 5 CEBDMN O=[N+]([O-])c1cc(Cl)ccc1CN[C@H]1CCOC1 ZINC000131484993 808684834 /nfs/dbraw/zinc/68/48/34/808684834.db2.gz UFBLPMMPRZVEIT-JTQLQIEISA-N 0 1 256.689 2.127 20 5 CEBDMN CC1(C)CN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CCN1 ZINC000700603413 809330900 /nfs/dbraw/zinc/33/09/00/809330900.db2.gz UGNRVBULDXQLSS-UHFFFAOYSA-N 0 1 297.742 2.072 20 5 CEBDMN O=C(O[C@H]1CCSc2ccccc21)[C@@H]1CC1[N+](=O)[O-] ZINC001117956847 809665820 /nfs/dbraw/zinc/66/58/20/809665820.db2.gz UDHRJEKYNHTMGI-MXWKQRLJSA-N 0 1 279.317 2.432 20 5 CEBDMN COC1(OC)CC[C@@H]1N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000711422841 810070078 /nfs/dbraw/zinc/07/00/78/810070078.db2.gz CYPKHMHGNCAYAX-GWCFXTLKSA-N 0 1 280.324 2.397 20 5 CEBDMN O=C1C[C@H]2CCC[C@@H](C1)N2[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169038024 811349056 /nfs/dbraw/zinc/34/90/56/811349056.db2.gz VCZKVJNOIGCKTG-FVCCEPFGSA-N 0 1 266.341 2.018 20 5 CEBDMN Cc1cnc(CN)n1-c1nccc2c1ccc(C)c2[N+](=O)[O-] ZINC001169019872 811353736 /nfs/dbraw/zinc/35/37/36/811353736.db2.gz BXOHNBYYBIRYHR-UHFFFAOYSA-N 0 1 297.318 2.404 20 5 CEBDMN COc1ccc(C[C@H](C)N(C)C2(C)COC2)c([N+](=O)[O-])c1 ZINC001170352634 812391594 /nfs/dbraw/zinc/39/15/94/812391594.db2.gz OYVNGBIXAXSVOT-NSHDSACASA-N 0 1 294.351 2.255 20 5 CEBDMN O=[N+]([O-])c1ccc2c(c1)CC[C@@H](NCc1ncccn1)CC2 ZINC001172897314 815539535 /nfs/dbraw/zinc/53/95/35/815539535.db2.gz YWWBWJSIJQEJKN-AWEZNQCLSA-N 0 1 298.346 2.422 20 5 CEBDMN Cc1cc(NC(=O)[C@H](C(C)C)N(C)C)cc([N+](=O)[O-])c1 ZINC001124126378 815601265 /nfs/dbraw/zinc/60/12/65/815601265.db2.gz LULDZFBSPLMXJN-ZDUSSCGKSA-N 0 1 279.340 2.428 20 5 CEBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCC(=O)NCC(C)C ZINC001116484140 814857610 /nfs/dbraw/zinc/85/76/10/814857610.db2.gz WXFIJLYHOHOBJF-LBPRGKRZSA-N 0 1 293.367 2.326 20 5 CEBDMN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CCN(CCF)CC1 ZINC001173233297 815632836 /nfs/dbraw/zinc/63/28/36/815632836.db2.gz KMPOMZXVMKWSBJ-ZDUSSCGKSA-N 0 1 295.358 2.113 20 5 CEBDMN O=[N+]([O-])c1ccccc1CN1CC[C@H](c2ncccn2)C1 ZINC001176524241 816434076 /nfs/dbraw/zinc/43/40/76/816434076.db2.gz MZKXBOWHBDBJKD-ZDUSSCGKSA-N 0 1 284.319 2.374 20 5 CEBDMN C[C@H]1c2cc(F)cc(F)c2CCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839704056 816577148 /nfs/dbraw/zinc/57/71/48/816577148.db2.gz SMNIUHFOVUXYSS-HOCOFYGGSA-N 0 1 296.273 2.076 20 5 CEBDMN O=[N+]([O-])c1ccc(NCCCCN2CCOCC2)cc1 ZINC000079927994 343994542 /nfs/dbraw/zinc/99/45/42/343994542.db2.gz JBVVGQSOBMRXSD-UHFFFAOYSA-N 0 1 279.340 2.119 20 5 CEBDMN O=[N+]([O-])c1ccc(CN2C[C@@H]3CC[C@H](O)[C@@H]3C2)c(Cl)c1 ZINC000125328158 187179419 /nfs/dbraw/zinc/17/94/19/187179419.db2.gz SPOAWTOSWUHZQN-BHYNMZESSA-N 0 1 296.754 2.451 20 5 CEBDMN COC(CN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1)OC ZINC000037566654 361904890 /nfs/dbraw/zinc/90/48/90/361904890.db2.gz FZXTZAAOVFGHGL-SNVBAGLBSA-N 0 1 268.313 2.173 20 5 CEBDMN CC[C@H](NCc1ccc([N+](=O)[O-])cc1F)[C@H](O)C(F)F ZINC000449420748 282228777 /nfs/dbraw/zinc/22/87/77/282228777.db2.gz GLDNQNIVODONNC-QWRGUYRKSA-N 0 1 292.257 2.228 20 5 CEBDMN CC(C)CN(C)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000046359500 362181141 /nfs/dbraw/zinc/18/11/41/362181141.db2.gz ZUBBEXVCCRTFNB-UHFFFAOYSA-N 0 1 276.296 2.199 20 5 CEBDMN CN1CCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1 ZINC000035089303 343421458 /nfs/dbraw/zinc/42/14/58/343421458.db2.gz OFKXWUKNKVGNPO-UHFFFAOYSA-N 0 1 289.257 2.365 20 5 CEBDMN CNC(=O)[C@H](CC(C)C)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000037160615 343425716 /nfs/dbraw/zinc/42/57/16/343425716.db2.gz NEKQHJFJIJSCDK-FZMZJTMJSA-N 0 1 293.367 2.406 20 5 CEBDMN C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N(C)CC1CC1 ZINC000049238170 343536185 /nfs/dbraw/zinc/53/61/85/343536185.db2.gz NBUPOVVDOAIAMR-JTQLQIEISA-N 0 1 277.324 2.264 20 5 CEBDMN Cc1[nH]nc(C(=O)N(C)CC2CCCCC2)c1[N+](=O)[O-] ZINC000064336136 343688817 /nfs/dbraw/zinc/68/88/17/343688817.db2.gz BCRLEPFUQQJJSQ-UHFFFAOYSA-N 0 1 280.328 2.279 20 5 CEBDMN COc1ccccc1[C@@H]1CCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000068807010 343774184 /nfs/dbraw/zinc/77/41/84/343774184.db2.gz QROYAJMQTZPPTP-AGIUHOORSA-N 0 1 290.319 2.024 20 5 CEBDMN CN(Cc1cn(C)nc1[N+](=O)[O-])CC1CCCCC1 ZINC000602436878 347032519 /nfs/dbraw/zinc/03/25/19/347032519.db2.gz SPGQLALIXTZZSI-UHFFFAOYSA-N 0 1 266.345 2.340 20 5 CEBDMN C[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)CC[N@H+]1C ZINC000158189300 344450105 /nfs/dbraw/zinc/45/01/05/344450105.db2.gz RLFKXWOVRMVXLP-GXSJLCMTSA-N 0 1 293.323 2.188 20 5 CEBDMN Cc1cc(-c2nc([C@@H]3CCCN3)no2)ccc1[N+](=O)[O-] ZINC000228560579 344561037 /nfs/dbraw/zinc/56/10/37/344561037.db2.gz VFJOGGYFUSMARU-JTQLQIEISA-N 0 1 274.280 2.378 20 5 CEBDMN Cc1ccc([N+](=O)[O-])cc1-c1nc([C@@H]2CCCN2)no1 ZINC000228560343 344561056 /nfs/dbraw/zinc/56/10/56/344561056.db2.gz LTOMINKOZCRIHJ-NSHDSACASA-N 0 1 274.280 2.378 20 5 CEBDMN CS(=O)(=O)Nc1cccc2nc3ccccc3nc21 ZINC000584605407 344963766 /nfs/dbraw/zinc/96/37/66/344963766.db2.gz MCLHUJRGKIKUEY-UHFFFAOYSA-N 0 1 273.317 2.155 20 5 CEBDMN COC(=O)[C@H]1CCN(C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000351623385 219150293 /nfs/dbraw/zinc/15/02/93/219150293.db2.gz IBTBVGHCWFFDGD-AGLBCWCQSA-N 0 1 290.319 2.103 20 5 CEBDMN CCN(CC)Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000589494765 345084302 /nfs/dbraw/zinc/08/43/02/345084302.db2.gz ZNYNBTCFAZUWFY-UHFFFAOYSA-N 0 1 266.297 2.223 20 5 CEBDMN Cc1cc(CNC(=O)c2cc([N+](=O)[O-])c(C)cc2C)n[nH]1 ZINC000591529504 345263079 /nfs/dbraw/zinc/26/30/79/345263079.db2.gz AETFAHRTXRIYSB-UHFFFAOYSA-N 0 1 288.307 2.173 20 5 CEBDMN Cc1sc(-c2nc([C@H]3CCCN3)no2)cc1[N+](=O)[O-] ZINC000592356619 345344588 /nfs/dbraw/zinc/34/45/88/345344588.db2.gz BCCDQCANTVLQOS-SSDOTTSWSA-N 0 1 280.309 2.439 20 5 CEBDMN Cc1[nH]nc(C(=O)N2CCCC[C@@H]2C2CCC2)c1[N+](=O)[O-] ZINC000592920912 345414867 /nfs/dbraw/zinc/41/48/67/345414867.db2.gz GBBIMUITBNUFGQ-LLVKDONJSA-N 0 1 292.339 2.421 20 5 CEBDMN C[C@H]1CN(Cc2cc(O)ccc2[N+](=O)[O-])C2(CCC2)CO1 ZINC000593092138 345436988 /nfs/dbraw/zinc/43/69/88/345436988.db2.gz NCXVARZGWPGTDL-NSHDSACASA-N 0 1 292.335 2.444 20 5 CEBDMN C[C@@H]1CN(C)[C@H](C)[C@H](C)N1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000593188149 345450851 /nfs/dbraw/zinc/45/08/51/345450851.db2.gz WNYUDZQCICGYJW-UTUOFQBUSA-N 0 1 291.351 2.148 20 5 CEBDMN C[C@H](N(C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(C)(C)O ZINC000295107280 199348196 /nfs/dbraw/zinc/34/81/96/199348196.db2.gz HDWPRHYOJPEKMM-VIFPVBQESA-N 0 1 297.311 2.094 20 5 CEBDMN O=[N+]([O-])c1ccc2c(c1)nccc2N1CCN(C2CC2)CC1 ZINC000593457845 345490860 /nfs/dbraw/zinc/49/08/60/345490860.db2.gz NPICSZYRPZGTHN-UHFFFAOYSA-N 0 1 298.346 2.427 20 5 CEBDMN C[N@@H+](Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-])[C@@H]1CCSC1 ZINC000593731746 345529311 /nfs/dbraw/zinc/52/93/11/345529311.db2.gz BEDJNAUAHSXKDZ-LLVKDONJSA-N 0 1 296.348 2.230 20 5 CEBDMN O=C([O-])C[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)C1CCC1 ZINC000594527767 345644136 /nfs/dbraw/zinc/64/41/36/345644136.db2.gz MXRCIYJRQNWKKZ-UHFFFAOYSA-N 0 1 282.271 2.173 20 5 CEBDMN O=[N+]([O-])c1ccc(NCc2n[nH]c([C@H]3CCCO3)n2)cc1 ZINC000594588449 345652436 /nfs/dbraw/zinc/65/24/36/345652436.db2.gz AZFIDSJBBNMMLF-LLVKDONJSA-N 0 1 289.295 2.177 20 5 CEBDMN CO[C@](C)([C@H](C)NCc1onc(C)c1[N+](=O)[O-])C1CC1 ZINC000595542417 345807843 /nfs/dbraw/zinc/80/78/43/345807843.db2.gz FKZKZHNOBJBYDS-TVQRCGJNSA-N 0 1 283.328 2.184 20 5 CEBDMN C[C@H](O)[C@@H]1CCCN(Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595390895 345772786 /nfs/dbraw/zinc/77/27/86/345772786.db2.gz ZPUXABXGNDAFKB-WDEREUQCSA-N 0 1 282.315 2.327 20 5 CEBDMN C[C@]1(CO)CCCN1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595439013 345782869 /nfs/dbraw/zinc/78/28/69/345782869.db2.gz VXOFUNLVCBTKQB-CYBMUJFWSA-N 0 1 268.288 2.081 20 5 CEBDMN O=[N+]([O-])c1ccc(CN2CCC[C@](O)(C3CC3)C2)c(F)c1 ZINC000595749105 345865599 /nfs/dbraw/zinc/86/55/99/345865599.db2.gz DNJOMHWCMPCCCY-OAHLLOKOSA-N 0 1 294.326 2.471 20 5 CEBDMN Cc1cc(N2CC[C@@H](c3nc[nH]n3)C2)c([N+](=O)[O-])s1 ZINC000596281317 345990593 /nfs/dbraw/zinc/99/05/93/345990593.db2.gz LAZUNABOXYZYFN-MRVPVSSYSA-N 0 1 279.325 2.077 20 5 CEBDMN C[C@H]1C[C@H](CNC(=O)c2n[nH]cc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000597980645 346262809 /nfs/dbraw/zinc/26/28/09/346262809.db2.gz UYBJNNWTAMOALF-MYJAWHEDSA-N 0 1 280.328 2.120 20 5 CEBDMN C/C=C\CNCc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000599005732 346445345 /nfs/dbraw/zinc/44/53/45/346445345.db2.gz QCQVQVWHFXMFDC-PLNGDYQASA-N 0 1 266.297 2.278 20 5 CEBDMN C[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCN1 ZINC000598915755 346433817 /nfs/dbraw/zinc/43/38/17/346433817.db2.gz NYLLDEPDOJVPID-QMMMGPOBSA-N 0 1 298.730 2.074 20 5 CEBDMN Cc1ccc(C[N@H+]2CC[C@H](C(=O)[O-])[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000600800976 346692954 /nfs/dbraw/zinc/69/29/54/346692954.db2.gz OYJZIWWFFWCESF-AAEUAGOBSA-N 0 1 292.335 2.446 20 5 CEBDMN CC(C)c1nnc(CNCCc2ccc([N+](=O)[O-])cc2)[nH]1 ZINC000602672744 347135399 /nfs/dbraw/zinc/13/53/99/347135399.db2.gz HPGNTDVABIDWGR-UHFFFAOYSA-N 0 1 289.339 2.169 20 5 CEBDMN CO[C@H](CNCc1nc2cc([N+](=O)[O-])ccc2o1)C1CC1 ZINC000602673999 347136173 /nfs/dbraw/zinc/13/61/73/347136173.db2.gz BQHHGPQUFUQNIK-CYBMUJFWSA-N 0 1 291.307 2.251 20 5 CEBDMN C[C@@H](c1cccc([N+](=O)[O-])c1)n1cc(CNC2CC2)nn1 ZINC000603186976 347303371 /nfs/dbraw/zinc/30/33/71/347303371.db2.gz YKASQKIFRZIATD-JTQLQIEISA-N 0 1 287.323 2.048 20 5 CEBDMN C/C=C\C[C@@H](CO)NCc1cc([N+](=O)[O-])ccc1OCC ZINC000603436884 347370180 /nfs/dbraw/zinc/37/01/80/347370180.db2.gz GRLHEVNRQKAWQH-DXTPNHAXSA-N 0 1 294.351 2.410 20 5 CEBDMN CC(C)CN1CCO[C@H](CNc2ccsc2[N+](=O)[O-])C1 ZINC000610514341 347687941 /nfs/dbraw/zinc/68/79/41/347687941.db2.gz BTIRBBNXHMJGBZ-LLVKDONJSA-N 0 1 299.396 2.425 20 5 CEBDMN CCN1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000611082439 347737420 /nfs/dbraw/zinc/73/74/20/347737420.db2.gz HDHRDZNAZSNXRX-NSHDSACASA-N 0 1 292.339 2.153 20 5 CEBDMN CCCN(C)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611253870 347758955 /nfs/dbraw/zinc/75/89/55/347758955.db2.gz UFHDUXTTWCYRON-UHFFFAOYSA-N 0 1 266.297 2.208 20 5 CEBDMN CCN1CCN(c2cccc(OC)c2[N+](=O)[O-])C[C@@H]1C ZINC000613886204 348119510 /nfs/dbraw/zinc/11/95/10/348119510.db2.gz KZCHHLJZEKEKLR-NSHDSACASA-N 0 1 279.340 2.134 20 5 CEBDMN CC[C@@]1(NCc2c(F)cccc2[N+](=O)[O-])CCOC1 ZINC000616865542 348581317 /nfs/dbraw/zinc/58/13/17/348581317.db2.gz UZAQCLUJARCKQY-CYBMUJFWSA-N 0 1 268.288 2.393 20 5 CEBDMN CC[C@]1(NCc2c(F)cccc2[N+](=O)[O-])CCOC1 ZINC000616865543 348581406 /nfs/dbraw/zinc/58/14/06/348581406.db2.gz UZAQCLUJARCKQY-ZDUSSCGKSA-N 0 1 268.288 2.393 20 5 CEBDMN CN(CCc1cnccn1)Cc1cccc([N+](=O)[O-])c1 ZINC000271298020 191058377 /nfs/dbraw/zinc/05/83/77/191058377.db2.gz DQKZOKCTTJKACF-UHFFFAOYSA-N 0 1 272.308 2.059 20 5 CEBDMN CN(CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)CC1CCC1 ZINC000111298792 186393118 /nfs/dbraw/zinc/39/31/18/186393118.db2.gz LUMVCQRECNSQNB-UHFFFAOYSA-N 0 1 291.351 2.290 20 5 CEBDMN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC(OCCO)CC1 ZINC000339826982 215354654 /nfs/dbraw/zinc/35/46/54/215354654.db2.gz MICKEDJYKQQTSA-GFCCVEGCSA-N 0 1 294.351 2.129 20 5 CEBDMN CCc1nc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)n[nH]1 ZINC000123308575 187084184 /nfs/dbraw/zinc/08/41/84/187084184.db2.gz GRORZQJFXNSNOO-UHFFFAOYSA-N 0 1 295.686 2.181 20 5 CEBDMN CCc1n[nH]c(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000123308575 187084185 /nfs/dbraw/zinc/08/41/85/187084185.db2.gz GRORZQJFXNSNOO-UHFFFAOYSA-N 0 1 295.686 2.181 20 5 CEBDMN Cc1cc(C[C@@H](C)Nc2ccc([N+](=O)[O-])cn2)[nH]n1 ZINC000133500970 366230772 /nfs/dbraw/zinc/23/07/72/366230772.db2.gz ANPIVSUMGVXZLO-MRVPVSSYSA-N 0 1 261.285 2.064 20 5 CEBDMN Cc1ccc([C@@H](C)N[C@H](C)C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000134892649 366368984 /nfs/dbraw/zinc/36/89/84/366368984.db2.gz VLQUWNQIFWKINC-GHMZBOCLSA-N 0 1 291.351 2.221 20 5 CEBDMN CC[C@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)C(F)F ZINC000452246632 283229758 /nfs/dbraw/zinc/22/97/58/283229758.db2.gz ONACQZGTQBMIKV-VIFPVBQESA-N 0 1 274.223 2.074 20 5 CEBDMN COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@]1(C)C(=O)[O-] ZINC000079489030 363609250 /nfs/dbraw/zinc/60/92/50/363609250.db2.gz OOYHNQLMSNEATR-CQSZACIVSA-N 0 1 294.307 2.043 20 5 CEBDMN CCOC(=O)C[C@@H](C)[N@H+](C)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000339085437 366646906 /nfs/dbraw/zinc/64/69/06/366646906.db2.gz WNKIULBUPAHVPN-SNVBAGLBSA-N 0 1 296.323 2.074 20 5 CEBDMN CCOC(=O)C[C@@H](C)[N@@H+](C)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000339085437 366646909 /nfs/dbraw/zinc/64/69/09/366646909.db2.gz WNKIULBUPAHVPN-SNVBAGLBSA-N 0 1 296.323 2.074 20 5 CEBDMN COc1ccc([N+](=O)[O-])cc1CNCC1=CCCOC1 ZINC000178164776 189094633 /nfs/dbraw/zinc/09/46/33/189094633.db2.gz XFXCCUSERIFIDC-UHFFFAOYSA-N 0 1 278.308 2.040 20 5 CEBDMN CCCCCN(CCc1ccc([N+](=O)[O-])cc1)CC(N)=O ZINC000183050369 189344444 /nfs/dbraw/zinc/34/44/44/189344444.db2.gz VQGJIZVNARQVTE-UHFFFAOYSA-N 0 1 293.367 2.115 20 5 CEBDMN CC1(C)CCCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000112701751 364830447 /nfs/dbraw/zinc/83/04/47/364830447.db2.gz LTHAUJLQNXXGPD-UHFFFAOYSA-N 0 1 291.351 2.316 20 5 CEBDMN COCC1(NCc2ccc([N+](=O)[O-])cc2F)CCC1 ZINC000341209163 367223115 /nfs/dbraw/zinc/22/31/15/367223115.db2.gz COPFJIVNVBXZOK-UHFFFAOYSA-N 0 1 268.288 2.393 20 5 CEBDMN CCc1[nH]nc(C(=O)N(C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000171366585 367528394 /nfs/dbraw/zinc/52/83/94/367528394.db2.gz SREQCSOZTKMQKB-UHFFFAOYSA-N 0 1 288.307 2.153 20 5 CEBDMN Cc1[nH]nc(C(=O)N(C)Cc2ccc(F)cc2)c1[N+](=O)[O-] ZINC000342852708 367570681 /nfs/dbraw/zinc/57/06/81/367570681.db2.gz PKQXFNYASVFLEL-UHFFFAOYSA-N 0 1 292.270 2.038 20 5 CEBDMN CN(CCn1cc([N+](=O)[O-])cn1)Cc1ccc(F)c(F)c1 ZINC000174816107 368070138 /nfs/dbraw/zinc/07/01/38/368070138.db2.gz KTWDJSXUVCYLEH-UHFFFAOYSA-N 0 1 296.277 2.202 20 5 CEBDMN CCOc1ccc([N+](=O)[O-])cc1CN[C@@H]1C[C@H](O)C1(C)C ZINC000189338584 369499764 /nfs/dbraw/zinc/49/97/64/369499764.db2.gz GXNASLBRVIPJJQ-KGLIPLIRSA-N 0 1 294.351 2.243 20 5 CEBDMN O=[N+]([O-])c1ccccc1CN1CCS[C@@H]2COCC[C@H]21 ZINC000246548653 370975760 /nfs/dbraw/zinc/97/57/60/370975760.db2.gz AWWKIFBNYAVXSZ-ZIAGYGMSSA-N 0 1 294.376 2.301 20 5 CEBDMN CC[C@@]1(CO)CCC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000189631139 369549394 /nfs/dbraw/zinc/54/93/94/369549394.db2.gz WRDKQQGRGCXUCW-AWEZNQCLSA-N 0 1 264.325 2.332 20 5 CEBDMN O=[N+]([O-])c1cnc(N[C@H]2CC[N@H+]3CCCC[C@@H]23)s1 ZINC000226771481 370352163 /nfs/dbraw/zinc/35/21/63/370352163.db2.gz VZSNNWJAUVNOMI-IUCAKERBSA-N 0 1 268.342 2.090 20 5 CEBDMN CC(=O)N1CC(NCc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000572984900 299418168 /nfs/dbraw/zinc/41/81/68/299418168.db2.gz RHOPLZHWFYBMCX-UHFFFAOYSA-N 0 1 291.351 2.039 20 5 CEBDMN C[C@H]1CN(CCn2ccc([N+](=O)[O-])n2)[C@H]1c1ccccc1 ZINC000248344031 371176728 /nfs/dbraw/zinc/17/67/28/371176728.db2.gz LBFRXXLXZXVGDH-SWLSCSKDSA-N 0 1 286.335 2.484 20 5 CEBDMN C[C@@H](C(=O)[O-])[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000262038392 371809119 /nfs/dbraw/zinc/80/91/19/371809119.db2.gz YEANMAJHXUMARV-VIFPVBQESA-N 0 1 264.281 2.032 20 5 CEBDMN CCN(Cc1ccc([N+](=O)[O-])c(OC)c1)[C@H]1CCOC1 ZINC000361590759 371959370 /nfs/dbraw/zinc/95/93/70/371959370.db2.gz JXTKFISFHMAUGX-LBPRGKRZSA-N 0 1 280.324 2.214 20 5 CEBDMN Cc1[nH]nc(C(=O)N2CCC3(C2)CCCCC3)c1[N+](=O)[O-] ZINC000266275399 372043073 /nfs/dbraw/zinc/04/30/73/372043073.db2.gz YUGKPXZSGIRIHI-UHFFFAOYSA-N 0 1 292.339 2.423 20 5 CEBDMN CCO[C@H]1COCC[C@@H]1NCc1c(F)cccc1[N+](=O)[O-] ZINC000362021448 372175282 /nfs/dbraw/zinc/17/52/82/372175282.db2.gz ZBNQMKOLADELEF-JSGCOSHPSA-N 0 1 298.314 2.018 20 5 CEBDMN CCN1C[C@H](C)N(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000344456471 217196490 /nfs/dbraw/zinc/19/64/90/217196490.db2.gz PSDHFGKUYOTEJS-RYUDHWBXSA-N 0 1 291.351 2.150 20 5 CEBDMN Cc1ccc([C@]2(C)CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)cc1 ZINC000364314070 372725124 /nfs/dbraw/zinc/72/51/24/372725124.db2.gz KNMNAVAGRUVCOE-IIAWOOMASA-N 0 1 288.347 2.150 20 5 CEBDMN COC(C)(C)C[C@H](C)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272511238 373525608 /nfs/dbraw/zinc/52/56/08/373525608.db2.gz JZPLLZHTYASBBI-VIFPVBQESA-N 0 1 296.323 2.234 20 5 CEBDMN CCS[C@H]1CCCCN(Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000370046814 373565142 /nfs/dbraw/zinc/56/51/42/373565142.db2.gz TYSVIZQRBHEPIA-NSHDSACASA-N 0 1 298.412 2.436 20 5 CEBDMN CC[C@@H](C)[C@H](C)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272600553 373571806 /nfs/dbraw/zinc/57/18/06/373571806.db2.gz QTEPDGSNZGMCRT-BDAKNGLRSA-N 0 1 266.297 2.465 20 5 CEBDMN CC1(C)CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CCS1 ZINC000272706578 373624238 /nfs/dbraw/zinc/62/42/38/373624238.db2.gz WJDXWKYEKRKKLJ-UHFFFAOYSA-N 0 1 296.348 2.268 20 5 CEBDMN CN(CCc1ccccc1[N+](=O)[O-])Cc1cncnc1 ZINC000289545742 197397621 /nfs/dbraw/zinc/39/76/21/197397621.db2.gz QSZBHBUOFZVYFW-UHFFFAOYSA-N 0 1 272.308 2.059 20 5 CEBDMN O=C(NC1CC(c2cccc(Cl)c2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000371000531 373769803 /nfs/dbraw/zinc/76/98/03/373769803.db2.gz QGTQKEPWROZIDB-VYKQGROPSA-N 0 1 294.738 2.367 20 5 CEBDMN O=[N+]([O-])c1ccc(N2CCC[C@@H](c3nc[nH]n3)C2)cc1 ZINC000371270530 373827136 /nfs/dbraw/zinc/82/71/36/373827136.db2.gz FSCREAGJWQGYIT-SNVBAGLBSA-N 0 1 273.296 2.097 20 5 CEBDMN C[C@@H]1CC[N@@H+](Cc2c([N+](=O)[O-])ncn2C)CC12CCC2 ZINC000371442887 373882120 /nfs/dbraw/zinc/88/21/20/373882120.db2.gz MBECCLBUPFSTSY-LLVKDONJSA-N 0 1 278.356 2.340 20 5 CEBDMN C[C@@H]1CCN(Cc2c([N+](=O)[O-])ncn2C)CC12CCC2 ZINC000371442887 373882124 /nfs/dbraw/zinc/88/21/24/373882124.db2.gz MBECCLBUPFSTSY-LLVKDONJSA-N 0 1 278.356 2.340 20 5 CEBDMN O=[N+]([O-])c1ccccc1/C=C/CN1CC[C@@H](n2cncn2)C1 ZINC000372365632 374107044 /nfs/dbraw/zinc/10/70/44/374107044.db2.gz JEPJHZKQZQFESY-LYKUJDHUSA-N 0 1 299.334 2.147 20 5 CEBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCCC[C@@H]1Cc1ccccc1 ZINC000372949745 374227812 /nfs/dbraw/zinc/22/78/12/374227812.db2.gz PJEYMGCZGCLDQA-KFWWJZLASA-N 0 1 288.347 2.275 20 5 CEBDMN O=c1[nH]ccc2c1CN(Cc1ccc([N+](=O)[O-])cc1)CC2 ZINC000276853021 374324713 /nfs/dbraw/zinc/32/47/13/374324713.db2.gz AAYWBHQMZZEXMY-UHFFFAOYSA-N 0 1 285.303 2.254 20 5 CEBDMN C[C@@H]1[C@H](Cc2ccccc2)CCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000377250455 374823890 /nfs/dbraw/zinc/82/38/90/374823890.db2.gz NDOJRGQXHMSEQN-FAAHXZRKSA-N 0 1 288.347 2.131 20 5 CEBDMN COC[C@H](N[C@H](C)c1ccccc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000278889342 374838389 /nfs/dbraw/zinc/83/83/89/374838389.db2.gz XEBAIUZJTWAINV-OSAQELSMSA-N 0 1 294.351 2.439 20 5 CEBDMN CC(C)[C@H]1CN(C(=O)c2csc([N+](=O)[O-])c2)CCN1C ZINC000408359721 375461419 /nfs/dbraw/zinc/46/14/19/375461419.db2.gz VULWHJARPNWOLQ-LLVKDONJSA-N 0 1 297.380 2.069 20 5 CEBDMN CCc1[nH]nc(C(=O)N2CCCCC[C@@H]2C)c1[N+](=O)[O-] ZINC000408439822 375481986 /nfs/dbraw/zinc/48/19/86/375481986.db2.gz VRJAMXHYPAZSEO-VIFPVBQESA-N 0 1 280.328 2.285 20 5 CEBDMN CCN(Cc1occc1C)C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000412791005 375701395 /nfs/dbraw/zinc/70/13/95/375701395.db2.gz PFXUTJSNMRWYFK-UHFFFAOYSA-N 0 1 292.295 2.190 20 5 CEBDMN CC(C)(C)[C@H]1CCC[C@H]1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000412807772 375708627 /nfs/dbraw/zinc/70/86/27/375708627.db2.gz GGVSDSQPJHRPRI-DTWKUNHWSA-N 0 1 280.328 2.263 20 5 CEBDMN COC[C@H](NCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1CC1 ZINC000284062831 375804359 /nfs/dbraw/zinc/80/43/59/375804359.db2.gz KEADIBOCUZJCBJ-LBPRGKRZSA-N 0 1 295.295 2.018 20 5 CEBDMN Cc1nc([C@H](C)Nc2ncc([N+](=O)[O-])cc2Cl)n[nH]1 ZINC000286570050 375997384 /nfs/dbraw/zinc/99/73/84/375997384.db2.gz QDIGSVNTZYWFCO-YFKPBYRVSA-N 0 1 282.691 2.243 20 5 CEBDMN O=C([O-])CCC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000262427688 190055106 /nfs/dbraw/zinc/05/51/06/190055106.db2.gz IBVBOGZUDXDWAL-UHFFFAOYSA-N 0 1 278.308 2.424 20 5 CEBDMN C[NH+](C)CC1CCN(Cc2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC000330489103 377154976 /nfs/dbraw/zinc/15/49/76/377154976.db2.gz KBDGKSOWPVIQMQ-UHFFFAOYSA-N 0 1 293.367 2.074 20 5 CEBDMN CC(C)[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2)CCN1C ZINC000331132012 377295335 /nfs/dbraw/zinc/29/53/35/377295335.db2.gz JKGLYEMPESBVJK-AWEZNQCLSA-N 0 1 291.351 2.007 20 5 CEBDMN O=[N+]([O-])c1ccc(CN2CCC[C@H](O)CC2)cc1F ZINC000293129746 377439994 /nfs/dbraw/zinc/43/99/94/377439994.db2.gz MTBMMVCCOVQMAH-NSHDSACASA-N 0 1 268.288 2.081 20 5 CEBDMN Cc1cnc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)s1 ZINC000427908860 377465649 /nfs/dbraw/zinc/46/56/49/377465649.db2.gz OVDBRCURPGERQG-UHFFFAOYSA-N 0 1 279.277 2.318 20 5 CEBDMN O=C(N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)c1n[nH]cc1[N+](=O)[O-] ZINC000332150358 377529838 /nfs/dbraw/zinc/52/98/38/377529838.db2.gz LMAHIVPXYFFUKH-HBNTYKKESA-N 0 1 292.339 2.407 20 5 CEBDMN CCc1[nH]nc(C(=O)N2CC(C)(C)[C@@H]2C(C)C)c1[N+](=O)[O-] ZINC000293836925 377781487 /nfs/dbraw/zinc/78/14/87/377781487.db2.gz IIAQMVURGSBEOM-LBPRGKRZSA-N 0 1 294.355 2.387 20 5 CEBDMN C[C@H](CO)N(C)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000294091862 377901287 /nfs/dbraw/zinc/90/12/87/377901287.db2.gz LVAKSFXEZBSTNM-MRVPVSSYSA-N 0 1 292.257 2.426 20 5 CEBDMN CCN1CCCN(C(=O)c2cc(C)ccc2[N+](=O)[O-])CC1 ZINC000266060037 190227029 /nfs/dbraw/zinc/22/70/29/190227029.db2.gz CFMJUOWWEOUAAY-UHFFFAOYSA-N 0 1 291.351 2.071 20 5 CEBDMN Cc1cn[nH]c1CN[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000289454618 197355923 /nfs/dbraw/zinc/35/59/23/197355923.db2.gz HHIOZLATWRHGTM-JTQLQIEISA-N 0 1 260.297 2.477 20 5 CEBDMN C[C@H](c1ccccc1[N+](=O)[O-])N1CCC[C@@H](OCCO)C1 ZINC000266538216 190265557 /nfs/dbraw/zinc/26/55/57/190265557.db2.gz PAIYHIYTJGIKQD-CHWSQXEVSA-N 0 1 294.351 2.129 20 5 CEBDMN C[C@H](C[S@](C)=O)N(C)[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000520428323 379468671 /nfs/dbraw/zinc/46/86/71/379468671.db2.gz QPSNBPVBEWHYGX-MZJFNTNISA-N 0 1 296.392 2.281 20 5 CEBDMN CC[C@@H]1CN(C)CCN1c1nc(C)cc(C)c1[N+](=O)[O-] ZINC000520615834 379495905 /nfs/dbraw/zinc/49/59/05/379495905.db2.gz ALTKAHCIHQWTMC-GFCCVEGCSA-N 0 1 278.356 2.137 20 5 CEBDMN COc1cc(CNCCOC(C)(C)C)c([N+](=O)[O-])cc1O ZINC000521834134 379543511 /nfs/dbraw/zinc/54/35/11/379543511.db2.gz QXAPKEOHNAMYSO-UHFFFAOYSA-N 0 1 298.339 2.214 20 5 CEBDMN C[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])[C@@H]1CCC[C@H](C)C1 ZINC000457018081 379628210 /nfs/dbraw/zinc/62/82/10/379628210.db2.gz WJXXKBUOPWTMOA-LPEHRKFASA-N 0 1 280.328 2.263 20 5 CEBDMN CC[C@H](NC(=O)[C@H]1CCCN1C)c1cccc([N+](=O)[O-])c1 ZINC000267280760 190317896 /nfs/dbraw/zinc/31/78/96/190317896.db2.gz KSYYHVOUANBWAC-UONOGXRCSA-N 0 1 291.351 2.256 20 5 CEBDMN CN(Cc1ccc([N+](=O)[O-])cc1F)C[C@@H]1CCC[C@@H]1O ZINC000305294332 379703016 /nfs/dbraw/zinc/70/30/16/379703016.db2.gz GBLFCDKHRGRLGU-FZMZJTMJSA-N 0 1 282.315 2.327 20 5 CEBDMN CN(CCC(C)(C)O)Cc1ccccc1[N+](=O)[O-] ZINC000267362512 190324057 /nfs/dbraw/zinc/32/40/57/190324057.db2.gz CUJYZDQJYZZLOB-UHFFFAOYSA-N 0 1 252.314 2.188 20 5 CEBDMN C[C@H]1CN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000267743674 190351727 /nfs/dbraw/zinc/35/17/27/190351727.db2.gz COVMVLAAMIXJHB-RYUDHWBXSA-N 0 1 291.351 2.145 20 5 CEBDMN COc1ccc([N+](=O)[O-])cc1CSc1cn[nH]n1 ZINC000490421887 380246908 /nfs/dbraw/zinc/24/69/08/380246908.db2.gz WDJZOVLJBFEBGV-UHFFFAOYSA-N 0 1 266.282 2.014 20 5 CEBDMN O=[N+]([O-])c1ccccc1N1CCN(C2CCC2)CC1 ZINC000172069038 285162753 /nfs/dbraw/zinc/16/27/53/285162753.db2.gz AZDMSMTWGFSQIX-UHFFFAOYSA-N 0 1 261.325 2.269 20 5 CEBDMN C[C@@H]1CC[C@@H](O)CN1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000421372619 394514901 /nfs/dbraw/zinc/51/49/01/394514901.db2.gz LBVQPWKZKWDEKD-UDGJJRABSA-N 0 1 276.336 2.453 20 5 CEBDMN C[C@@H](O)C[C@@H]1CCCN1Cc1c(F)cccc1[N+](=O)[O-] ZINC000305228661 394503391 /nfs/dbraw/zinc/50/33/91/394503391.db2.gz QFDAKJGXFWBRSI-MNOVXSKESA-N 0 1 282.315 2.469 20 5 CEBDMN C[C@@H]1[C@H](Nc2ncc([N+](=O)[O-])cc2F)CCCN1C ZINC000413233318 394508793 /nfs/dbraw/zinc/50/87/93/394508793.db2.gz DATIEVPLXRBGEW-LDYMZIIASA-N 0 1 268.292 2.024 20 5 CEBDMN CC(C)c1ccc(CN(C)CCO)cc1[N+](=O)[O-] ZINC000305737070 394511122 /nfs/dbraw/zinc/51/11/22/394511122.db2.gz UQKAKDKAEIRAID-UHFFFAOYSA-N 0 1 252.314 2.142 20 5 CEBDMN Cc1[nH]nc(C(=O)N2C[C@H](C)C[C@H](C)[C@@H]2C)c1[N+](=O)[O-] ZINC000356674720 394583654 /nfs/dbraw/zinc/58/36/54/394583654.db2.gz XXPORKKVWOUMDE-WEDXCCLWSA-N 0 1 280.328 2.133 20 5 CEBDMN Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCCC[C@H]1C(=O)[O-] ZINC000263422362 394628775 /nfs/dbraw/zinc/62/87/75/394628775.db2.gz PGHJWVOENPCRJV-ZDUSSCGKSA-N 0 1 278.308 2.342 20 5 CEBDMN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1C[C@@H](C)N[C@H](C)C1 ZINC000422817409 394808766 /nfs/dbraw/zinc/80/87/66/394808766.db2.gz HOIINXGBHMHSAU-VXGBXAGGSA-N 0 1 291.351 2.034 20 5 CEBDMN CC1CCC2(CCN(C(=O)[C@H]3CC3[N+](=O)[O-])C2)CC1 ZINC000365300429 394924420 /nfs/dbraw/zinc/92/44/20/394924420.db2.gz ZIDROVZOXKMKLS-MRFPXMQZSA-N 0 1 266.341 2.080 20 5 CEBDMN C[C@H]1CC[C@@]2(CCN(Cc3c([N+](=O)[O-])ncn3C)C2)C1 ZINC000368076460 394977202 /nfs/dbraw/zinc/97/72/02/394977202.db2.gz QEPUBTQFYUAQJA-SMDDNHRTSA-N 0 1 278.356 2.340 20 5 CEBDMN C[C@@H]1CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)[C@@H](C)[C@H]1C ZINC000416316684 395054306 /nfs/dbraw/zinc/05/43/06/395054306.db2.gz HOFBOJHYFYHQBY-UTLUCORTSA-N 0 1 278.308 2.417 20 5 CEBDMN CCc1[nH]nc(C(=O)N2C[C@H](C)C[C@@H](C)[C@H]2C)c1[N+](=O)[O-] ZINC000444411374 395430710 /nfs/dbraw/zinc/43/07/10/395430710.db2.gz MFZKSORZTLGUFG-OPRDCNLKSA-N 0 1 294.355 2.387 20 5 CEBDMN C[C@@H](NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@@H]1CCCO1 ZINC000444686834 395445515 /nfs/dbraw/zinc/44/55/15/395445515.db2.gz XXUQJAYUXXRHBP-RNCFNFMXSA-N 0 1 290.323 2.128 20 5 CEBDMN C[C@@H](C(=O)[O-])[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CCC1 ZINC000566510226 395533454 /nfs/dbraw/zinc/53/34/54/395533454.db2.gz MGYBKBBSTVTLJM-JTQLQIEISA-N 0 1 278.308 2.422 20 5 CEBDMN C[C@H]1CN(C)CCN1c1nccc2cc([N+](=O)[O-])ccc21 ZINC000572930803 395594406 /nfs/dbraw/zinc/59/44/06/395594406.db2.gz VGIICKPYQGKDCM-NSHDSACASA-N 0 1 286.335 2.283 20 5 CEBDMN C[C@H]1CCCC[C@]1(C)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000457235072 395635554 /nfs/dbraw/zinc/63/55/54/395635554.db2.gz BCSCUHMSRACWHR-UFBFGSQYSA-N 0 1 266.301 2.017 20 5 CEBDMN O=C(N[C@@H]1CC[C@H](F)C1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000360356697 155280416 /nfs/dbraw/zinc/28/04/16/155280416.db2.gz WYWPHAGWHJXVPB-JGVFFNPUSA-N 0 1 292.270 2.092 20 5 CEBDMN O=[N+]([O-])c1cccc(CNCc2cccc(CO)c2)c1 ZINC000222116233 153312828 /nfs/dbraw/zinc/31/28/28/153312828.db2.gz NYRICIDQXAXBAJ-UHFFFAOYSA-N 0 1 272.304 2.377 20 5 CEBDMN CC(C)NC(=O)[C@@H](C)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000228943491 153371481 /nfs/dbraw/zinc/37/14/81/153371481.db2.gz CVWPAHNPRDIPAA-WDEREUQCSA-N 0 1 279.340 2.159 20 5 CEBDMN CCC[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])CC(=O)[O-] ZINC000263380253 154073575 /nfs/dbraw/zinc/07/35/75/154073575.db2.gz BKOZRMGRBRIQSL-FNORWQNLSA-N 0 1 278.308 2.405 20 5 CEBDMN C[C@@H](NCc1c(Cl)cccc1[N+](=O)[O-])[C@H](C)CO ZINC000167080595 165036334 /nfs/dbraw/zinc/03/63/34/165036334.db2.gz RBAZAMSJUSLGDM-RKDXNWHRSA-N 0 1 272.732 2.355 20 5 CEBDMN Cc1cc(CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)n(C)n1 ZINC000284552290 196082975 /nfs/dbraw/zinc/08/29/75/196082975.db2.gz VYKRWLZJRMPBTO-NSHDSACASA-N 0 1 274.324 2.488 20 5 CEBDMN CN1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000020217815 171081287 /nfs/dbraw/zinc/08/12/87/171081287.db2.gz XZNDDRKDUIJHDS-UHFFFAOYSA-N 0 1 297.742 2.026 20 5 CEBDMN Cc1c(CN[C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)cnn1C ZINC000285284645 196240064 /nfs/dbraw/zinc/24/00/64/196240064.db2.gz RKDBSOVWQOZGDG-VIFPVBQESA-N 0 1 289.339 2.070 20 5 CEBDMN C[C@H](N[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1cn[nH]c1 ZINC000285302611 196245616 /nfs/dbraw/zinc/24/56/16/196245616.db2.gz SDMNIPPFACUOEG-IUCAKERBSA-N 0 1 275.312 2.312 20 5 CEBDMN COC[C@H](NCc1c(F)cc([N+](=O)[O-])cc1F)C1CC1 ZINC000285538593 196319160 /nfs/dbraw/zinc/31/91/60/196319160.db2.gz HKZHHFRYTUPGQO-ZDUSSCGKSA-N 0 1 286.278 2.388 20 5 CEBDMN CC[C@@H]1c2ccsc2CCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000363009896 287378976 /nfs/dbraw/zinc/37/89/76/287378976.db2.gz BLFIATVZVGXTOD-GMTAPVOTSA-N 0 1 280.349 2.249 20 5 CEBDMN Cc1cccc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)n1 ZINC000356053154 228101577 /nfs/dbraw/zinc/10/15/77/228101577.db2.gz BVUNHAZNZDKDGJ-UHFFFAOYSA-N 0 1 273.248 2.256 20 5 CEBDMN CCCNC(=O)[C@H](C)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000035019435 270224801 /nfs/dbraw/zinc/22/48/01/270224801.db2.gz MXUQGSNWBOSCPI-QWRGUYRKSA-N 0 1 279.340 2.160 20 5 CEBDMN O=[N+]([O-])c1cnc2ccccc2c1NCCN1CC=CCC1 ZINC000392837676 270341615 /nfs/dbraw/zinc/34/16/15/270341615.db2.gz LRIIKFLQGPWLOD-UHFFFAOYSA-N 0 1 298.346 2.239 20 5 CEBDMN COc1ccc([N+](=O)[O-])cc1CN1C[C@H](C)C[C@@H](CO)C1 ZINC000398698607 270361586 /nfs/dbraw/zinc/36/15/86/270361586.db2.gz SCIDZTXFAKEYNW-VXGBXAGGSA-N 0 1 294.351 2.054 20 5 CEBDMN COc1cc([N+](=O)[O-])ccc1CN1CCC([C@@H](C)O)CC1 ZINC000430233227 271364509 /nfs/dbraw/zinc/36/45/09/271364509.db2.gz KNDCRBRFOXETBK-LLVKDONJSA-N 0 1 294.351 2.196 20 5 CEBDMN COc1cc([N+](=O)[O-])ccc1CN(CCCCO)C1CC1 ZINC000430226125 271365564 /nfs/dbraw/zinc/36/55/64/271365564.db2.gz LZPQQFXVOFCPFX-UHFFFAOYSA-N 0 1 294.351 2.340 20 5 CEBDMN Cc1ccc([C@H](C)NCC(=O)N2CCCC2)cc1[N+](=O)[O-] ZINC000135741839 274759355 /nfs/dbraw/zinc/75/93/55/274759355.db2.gz HVXXLCWOCMLBDG-LBPRGKRZSA-N 0 1 291.351 2.176 20 5 CEBDMN CCN(Cc1c([N+](=O)[O-])ncn1C)C1CCCC1 ZINC000341983457 276140097 /nfs/dbraw/zinc/14/00/97/276140097.db2.gz FUCNQMSEDKYJHA-UHFFFAOYSA-N 0 1 252.318 2.093 20 5 CEBDMN CN1CCN(Cc2c(F)cccc2[N+](=O)[O-])C(C)(C)C1 ZINC000347571431 277109025 /nfs/dbraw/zinc/10/90/25/277109025.db2.gz RAJSRBODSNAXAK-UHFFFAOYSA-N 0 1 281.331 2.260 20 5 CEBDMN C[C@H](O)CCN(C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000135402098 280045444 /nfs/dbraw/zinc/04/54/44/280045444.db2.gz FEZLSOGNNYLRKI-VIFPVBQESA-N 0 1 272.732 2.451 20 5 CEBDMN CC[C@@H](N[C@@H]1CCCN(C)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000351917084 280194265 /nfs/dbraw/zinc/19/42/65/280194265.db2.gz LGQBAPIVSGJJAV-ZIAGYGMSSA-N 0 1 291.351 2.256 20 5 CEBDMN CC[C@H](N[C@H]1COC[C@@H]1OC)c1cccc([N+](=O)[O-])c1 ZINC000290215959 280978480 /nfs/dbraw/zinc/97/84/80/280978480.db2.gz QKGRVCDLTOTULO-IHRRRGAJSA-N 0 1 280.324 2.049 20 5 CEBDMN CCCC[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])C1CCC1 ZINC000153875554 289126032 /nfs/dbraw/zinc/12/60/32/289126032.db2.gz ZNPFPSYRLQIHOE-SNVBAGLBSA-N 0 1 280.328 2.407 20 5 CEBDMN CC[C@@H]1OCC[C@H]1NCc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000459766411 290232182 /nfs/dbraw/zinc/23/21/82/290232182.db2.gz DOLNAGJVBJZQSM-YPMHNXCESA-N 0 1 298.314 2.400 20 5 CEBDMN COc1ccc(OCCN2[C@@H](C)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000548096451 298393675 /nfs/dbraw/zinc/39/36/75/298393675.db2.gz YINMJEGDBFRWSQ-QWRGUYRKSA-N 0 1 280.324 2.465 20 5 CEBDMN Cc1cnc(N2CCN(C)C[C@@H]2C(C)C)c([N+](=O)[O-])c1 ZINC000301458452 302350759 /nfs/dbraw/zinc/35/07/59/302350759.db2.gz SUVCPRRWSHPPCC-CYBMUJFWSA-N 0 1 278.356 2.075 20 5 CEBDMN CN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)c1nccs1 ZINC000543738133 313464090 /nfs/dbraw/zinc/46/40/90/313464090.db2.gz OMDZJSKWXITGFI-UHFFFAOYSA-N 0 1 279.277 2.034 20 5 CEBDMN COC[C@@H](NCc1nc2cc([N+](=O)[O-])ccc2o1)C1CC1 ZINC000183437224 522368443 /nfs/dbraw/zinc/36/84/43/522368443.db2.gz AGOGRCSCWWQOEG-GFCCVEGCSA-N 0 1 291.307 2.251 20 5 CEBDMN COC(=O)C1CCN(Cc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000183228355 522917183 /nfs/dbraw/zinc/91/71/83/522917183.db2.gz UORIPUKYCJBSIU-UHFFFAOYSA-N 0 1 292.335 2.288 20 5 CEBDMN C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000363415993 525459995 /nfs/dbraw/zinc/45/99/95/525459995.db2.gz AFVBKFCJRBGGPP-ICGCDAGXSA-N 0 1 292.310 2.400 20 5 CEBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC(Cc2ccccc2Cl)C1 ZINC000374548007 526500176 /nfs/dbraw/zinc/50/01/76/526500176.db2.gz ISJFCXQREFCKSC-YPMHNXCESA-N 0 1 294.738 2.006 20 5 CEBDMN O=[N+]([O-])c1ccc(F)cc1N1CCC[C@H](c2nc[nH]n2)C1 ZINC000365106512 527357546 /nfs/dbraw/zinc/35/75/46/527357546.db2.gz DAUUXLWLXCEPRR-VIFPVBQESA-N 0 1 291.286 2.236 20 5 CEBDMN CCOCCCN(C)Cc1ccccc1[N+](=O)[O-] ZINC000357590346 528657072 /nfs/dbraw/zinc/65/70/72/528657072.db2.gz FJQXVSNQARCFCC-UHFFFAOYSA-N 0 1 252.314 2.453 20 5 CEBDMN O=C(OCc1ccnc(Cl)c1)c1ccc([N+](=O)[O-])[nH]1 ZINC000729195596 574481648 /nfs/dbraw/zinc/48/16/48/574481648.db2.gz NBJUEFZFRCXACU-UHFFFAOYSA-N 0 1 281.655 2.328 20 5 CEBDMN CN(C(=O)[O-])[C@@H]1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000739588781 574927840 /nfs/dbraw/zinc/92/78/40/574927840.db2.gz QXYXHKILQBWLNV-GFCCVEGCSA-N 0 1 293.323 2.169 20 5 CEBDMN CN(C(=O)[O-])[C@@H]1CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000739588781 574927841 /nfs/dbraw/zinc/92/78/41/574927841.db2.gz QXYXHKILQBWLNV-GFCCVEGCSA-N 0 1 293.323 2.169 20 5 CEBDMN Cc1nn(CN2CCC[C@@H](C)C2)c2ncc([N+](=O)[O-])cc12 ZINC000749938834 575240762 /nfs/dbraw/zinc/24/07/62/575240762.db2.gz ULJBBQRHZPADKX-SNVBAGLBSA-N 0 1 289.339 2.337 20 5 CEBDMN CC(=O)c1ccc(N2CCc3cn[nH]c3C2)c([N+](=O)[O-])c1 ZINC000750565144 575269675 /nfs/dbraw/zinc/26/96/75/575269675.db2.gz BDLGCJDNIRHULT-UHFFFAOYSA-N 0 1 286.291 2.083 20 5 CEBDMN O=C([O-])[C@H]1CC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000821511646 598129595 /nfs/dbraw/zinc/12/95/95/598129595.db2.gz OCJJLZJHADWTLT-PYEVWLCESA-N 0 1 276.292 2.015 20 5 CEBDMN O=C([O-])[C@H]1CC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000821511643 598129695 /nfs/dbraw/zinc/12/96/95/598129695.db2.gz OCJJLZJHADWTLT-FHMRSRPSSA-N 0 1 276.292 2.015 20 5 CEBDMN Cc1ccc(C[NH2+]Cc2ccc(C(=O)[O-])o2)cc1[N+](=O)[O-] ZINC000738603966 600524123 /nfs/dbraw/zinc/52/41/23/600524123.db2.gz URXYNUAZCHLHDG-UHFFFAOYSA-N 0 1 290.275 2.484 20 5 CEBDMN C[C@@H](C[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)C1CC1)C(=O)[O-] ZINC000827449662 601305324 /nfs/dbraw/zinc/30/53/24/601305324.db2.gz NJPDHRLYUHAPOR-VIFPVBQESA-N 0 1 296.298 2.419 20 5 CEBDMN C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H](N(C)C(=O)[O-])C1 ZINC000825637779 603794830 /nfs/dbraw/zinc/79/48/30/603794830.db2.gz HDQAMIPHZRDFEI-MNOVXSKESA-N 0 1 293.323 2.340 20 5 CEBDMN C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H](N(C)C(=O)[O-])C1 ZINC000825631589 603796410 /nfs/dbraw/zinc/79/64/10/603796410.db2.gz ZWJZCEXXLKWMPM-MFKMUULPSA-N 0 1 293.323 2.340 20 5 CEBDMN C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](CNC(=O)[O-])C1 ZINC000825638767 604043422 /nfs/dbraw/zinc/04/34/22/604043422.db2.gz OOUKMCBILNTDKJ-MNOVXSKESA-N 0 1 293.323 2.245 20 5 CEBDMN C[N@H+](CC(=O)[O-])Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000820568873 604539381 /nfs/dbraw/zinc/53/93/81/604539381.db2.gz FAFDSTILRBXMLC-UHFFFAOYSA-N 0 1 290.275 2.371 20 5 CEBDMN C[N@@H+](CC(=O)[O-])Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000820568873 604539383 /nfs/dbraw/zinc/53/93/83/604539383.db2.gz FAFDSTILRBXMLC-UHFFFAOYSA-N 0 1 290.275 2.371 20 5 CEBDMN CC[N@@H+](CC(=O)[O-])Cc1ccc([N+](=O)[O-])cc1Cl ZINC000049964256 623276485 /nfs/dbraw/zinc/27/64/85/623276485.db2.gz FDWDPSOMVSFROS-UHFFFAOYSA-N 0 1 272.688 2.155 20 5 CEBDMN CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)c1cnc[nH]1 ZINC000725881143 627994369 /nfs/dbraw/zinc/99/43/69/627994369.db2.gz QPDLSLJFSVDUDG-UHFFFAOYSA-N 0 1 294.698 2.244 20 5 CEBDMN CC(C)CN(CC(C)C)Cn1nccc1[N+](=O)[O-] ZINC000123083263 628343552 /nfs/dbraw/zinc/34/35/52/628343552.db2.gz KYQPAKGDKHAIRY-UHFFFAOYSA-N 0 1 254.334 2.363 20 5 CEBDMN CC(C)Oc1cc(F)ccc1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000840413288 634645119 /nfs/dbraw/zinc/64/51/19/634645119.db2.gz GITPPWKKKPNUGC-MWLCHTKSSA-N 0 1 282.271 2.217 20 5 CEBDMN CCNC(=O)C(C)(C)NCc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000313052558 628577378 /nfs/dbraw/zinc/57/73/78/628577378.db2.gz BKJOQZPISCQGAC-UHFFFAOYSA-N 0 1 299.758 2.253 20 5 CEBDMN CC[C@@H]1CN(C)CCN1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000821337334 634688221 /nfs/dbraw/zinc/68/82/21/634688221.db2.gz UGTCXWULQHZTKI-CYBMUJFWSA-N 0 1 281.331 2.260 20 5 CEBDMN CN(CC1CC1)Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000047252625 629153541 /nfs/dbraw/zinc/15/35/41/629153541.db2.gz PKPZYZCVRLUTPO-UHFFFAOYSA-N 0 1 287.323 2.153 20 5 CEBDMN Cc1ccc(CCCOC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC000840673700 629364039 /nfs/dbraw/zinc/36/40/39/629364039.db2.gz YYCXNVQWFUXOSP-CHWSQXEVSA-N 0 1 263.293 2.136 20 5 CEBDMN CC(C)c1n[nH]c(COC(=O)c2ccccc2[N+](=O)[O-])n1 ZINC000795233344 629489532 /nfs/dbraw/zinc/48/95/32/629489532.db2.gz NBEXUQUXVWWDFG-UHFFFAOYSA-N 0 1 290.279 2.193 20 5 CEBDMN CC(C)c1nc(COC(=O)c2ccccc2[N+](=O)[O-])n[nH]1 ZINC000795233344 629489534 /nfs/dbraw/zinc/48/95/34/629489534.db2.gz NBEXUQUXVWWDFG-UHFFFAOYSA-N 0 1 290.279 2.193 20 5 CEBDMN Cc1nc(COC(=O)c2cc([N+](=O)[O-])ccc2Cl)n[nH]1 ZINC000795253242 629498447 /nfs/dbraw/zinc/49/84/47/629498447.db2.gz RBNTXGYRFTWXFL-UHFFFAOYSA-N 0 1 296.670 2.032 20 5 CEBDMN C[N@H+]1C[C@@]2(C)CN(c3sccc3[N+](=O)[O-])C[C@@]2(C)C1 ZINC000894798394 629646755 /nfs/dbraw/zinc/64/67/55/629646755.db2.gz UNFNQVVCRKSHBF-BETUJISGSA-N 0 1 281.381 2.434 20 5 CEBDMN CC1(C)CN(Cn2cc([N+](=O)[O-])cn2)[C@@H]2CCC[C@@H]21 ZINC000902673760 634770598 /nfs/dbraw/zinc/77/05/98/634770598.db2.gz HNTUNTPAIGOYEP-NWDGAFQWSA-N 0 1 264.329 2.259 20 5 CEBDMN CSC1(COC(=O)c2ccc([N+](=O)[O-])[nH]2)CCC1 ZINC000799694095 631064321 /nfs/dbraw/zinc/06/43/21/631064321.db2.gz PMWOLICQDRMDKW-UHFFFAOYSA-N 0 1 270.310 2.365 20 5 CEBDMN CC(C)[C@@H](C(=O)OCc1ccc([N+](=O)[O-])c(F)c1)N(C)C ZINC000803495720 631573947 /nfs/dbraw/zinc/57/39/47/631573947.db2.gz SEGAMAAAOSORDQ-ZDUSSCGKSA-N 0 1 298.314 2.363 20 5 CEBDMN CCCCOc1cccc(CNCC[N+](=O)[O-])c1 ZINC000905049255 635788440 /nfs/dbraw/zinc/78/84/40/635788440.db2.gz JLKPRXALIAKJQG-UHFFFAOYSA-N 0 1 252.314 2.232 20 5 CEBDMN Cc1cc(C(F)(F)F)ccc1CNCC[N+](=O)[O-] ZINC000905230726 635874638 /nfs/dbraw/zinc/87/46/38/635874638.db2.gz QLKOGEQYDYFISA-UHFFFAOYSA-N 0 1 262.231 2.380 20 5 CEBDMN CN(C[C@H]1CCCN1C)c1c(F)cc([N+](=O)[O-])cc1F ZINC000817131660 633590584 /nfs/dbraw/zinc/59/05/84/633590584.db2.gz JMAZCPYSSQGTDV-SECBINFHSA-N 0 1 285.294 2.403 20 5 CEBDMN C[C@@H](CN[C@H](C)c1cn(C)nn1)c1ccccc1[N+](=O)[O-] ZINC000903245422 635025767 /nfs/dbraw/zinc/02/57/67/635025767.db2.gz LYPRPNUBQSQHAE-WDEREUQCSA-N 0 1 289.339 2.178 20 5 CEBDMN O=[N+]([O-])c1ccc(CN2CC[C@@H](CCCO)C2)cc1F ZINC000832787385 637670884 /nfs/dbraw/zinc/67/08/84/637670884.db2.gz WYYJBGOWICCVPR-LLVKDONJSA-N 0 1 282.315 2.328 20 5 CEBDMN CSCC[C@@H](C)OC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000835819678 638421060 /nfs/dbraw/zinc/42/10/60/638421060.db2.gz GIEYCPISIKNGMF-SSDOTTSWSA-N 0 1 258.299 2.221 20 5 CEBDMN C/C=C(\C)C(=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837564419 639285020 /nfs/dbraw/zinc/28/50/20/639285020.db2.gz NABIFRMWZUXTGP-FPYGCLRLSA-N 0 1 251.238 2.310 20 5 CEBDMN CO[C@H](C)CCC(=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837628111 639315616 /nfs/dbraw/zinc/31/56/16/639315616.db2.gz PWLKBFCUTDWOAH-SECBINFHSA-N 0 1 283.280 2.159 20 5 CEBDMN CC(C)[C@H](F)C(=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837655052 639327806 /nfs/dbraw/zinc/32/78/06/639327806.db2.gz CRHJROXQJWITFG-NSHDSACASA-N 0 1 271.244 2.338 20 5 CEBDMN O=C(OCC/C=C\c1ccccc1)[C@@H]1CC1[N+](=O)[O-] ZINC000840675210 639521368 /nfs/dbraw/zinc/52/13/68/639521368.db2.gz UHWUDWMVDSVIKC-BJLPKZDCSA-N 0 1 261.277 2.298 20 5 CEBDMN C[C@@H](C[S@](C)=O)NCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000168850203 639586274 /nfs/dbraw/zinc/58/62/74/639586274.db2.gz RIRIHXQKXVZSSY-DCXZOGHSSA-N 0 1 290.772 2.105 20 5 CEBDMN O=C(O[C@H]1CCc2ccc(F)cc21)[C@@H]1CC1[N+](=O)[O-] ZINC000841138763 639689213 /nfs/dbraw/zinc/68/92/13/639689213.db2.gz WYJFPEXWIKODKR-UTUOFQBUSA-N 0 1 265.240 2.021 20 5 CEBDMN Cc1cc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c(Cl)cc1F ZINC000841230820 639714003 /nfs/dbraw/zinc/71/40/03/639714003.db2.gz MOKIVGOYHUAHJV-LHLIQPBNSA-N 0 1 272.663 2.391 20 5 CEBDMN CC(=O)Nc1ccc(OC(=O)c2ccc([N+](=O)[O-])[nH]2)cc1 ZINC000916846588 640824860 /nfs/dbraw/zinc/82/48/60/640824860.db2.gz FKYZSKBIHPDJFY-UHFFFAOYSA-N 0 1 289.247 2.101 20 5 CEBDMN CN[C@@H](C)c1nc(-c2cccc([N+](=O)[O-])c2C)no1 ZINC000848631073 642082068 /nfs/dbraw/zinc/08/20/68/642082068.db2.gz WUTLQJUSDFVLOE-QMMMGPOBSA-N 0 1 262.269 2.234 20 5 CEBDMN COc1cc(CN[C@H]2C=CCC2)c([N+](=O)[O-])cc1OC ZINC000850357928 642680995 /nfs/dbraw/zinc/68/09/95/642680995.db2.gz BTXGAAMANXJYFB-NSHDSACASA-N 0 1 278.308 2.420 20 5 CEBDMN CC(C)[C@H](C(=O)OCC(C)(C)[N+](=O)[O-])N1CCCCC1 ZINC000851128023 642928525 /nfs/dbraw/zinc/92/85/25/642928525.db2.gz FHIQDDWYWXYECS-GFCCVEGCSA-N 0 1 286.372 2.095 20 5 CEBDMN CC(C)[C@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccccc1 ZINC000839524627 644243037 /nfs/dbraw/zinc/24/30/37/644243037.db2.gz JRPBDCFFHQFVDS-HZSPNIEDSA-N 0 1 276.336 2.208 20 5 CEBDMN CCC1CCC(N(C)C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000839511855 644245717 /nfs/dbraw/zinc/24/57/17/644245717.db2.gz DSQHYSKSSGURGM-KIDURHIOSA-N 0 1 254.330 2.079 20 5 CEBDMN O=C(NCc1ccc(Cl)c(Cl)c1)[C@@H]1CC1[N+](=O)[O-] ZINC000855780409 644477320 /nfs/dbraw/zinc/47/73/20/644477320.db2.gz WQGVQLROWNDKLY-GMSGAONNSA-N 0 1 289.118 2.275 20 5 CEBDMN CC(=Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1cnc[nH]1 ZINC000755393966 644513682 /nfs/dbraw/zinc/51/36/82/644513682.db2.gz UQLVBAYSENEZLD-POHAHGRESA-N 0 1 286.291 2.038 20 5 CEBDMN CC(C)COc1ccccc1CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839568466 644745528 /nfs/dbraw/zinc/74/55/28/644745528.db2.gz MOCBHUFURPNGDO-CHWSQXEVSA-N 0 1 292.335 2.003 20 5 CEBDMN CCC[C@H]1CCCC[C@@H]1NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839651888 644763237 /nfs/dbraw/zinc/76/32/37/644763237.db2.gz SQSTYVGQYVCJHZ-WHOHXGKFSA-N 0 1 254.330 2.127 20 5 CEBDMN CCCC[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839642181 644771455 /nfs/dbraw/zinc/77/14/55/644771455.db2.gz FKOILPFMQQJTEE-WISYIIOYSA-N 0 1 254.330 2.127 20 5 CEBDMN CC[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccc(F)cc1F ZINC000839687405 644773506 /nfs/dbraw/zinc/77/35/06/644773506.db2.gz DRLDXRQLFSKSDK-YUSALJHKSA-N 0 1 284.262 2.197 20 5 CEBDMN O=C(N[C@@H](CC1CC1)c1ccccc1)[C@@H]1CC1[N+](=O)[O-] ZINC000839690460 644775375 /nfs/dbraw/zinc/77/53/75/644775375.db2.gz AUDOPKUHENKAIY-HZSPNIEDSA-N 0 1 274.320 2.309 20 5 CEBDMN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CCC(C)(C)CC1 ZINC000839701708 644778198 /nfs/dbraw/zinc/77/81/98/644778198.db2.gz SDHKPCHYAFPNSE-GHMZBOCLSA-N 0 1 254.330 2.079 20 5 CEBDMN Cc1ccc(C(C)(C)CNC(=O)[C@@H]2CC2[N+](=O)[O-])c(C)c1 ZINC000839778268 644813294 /nfs/dbraw/zinc/81/32/94/644813294.db2.gz XCODVSZWAFFVPJ-TZMCWYRMSA-N 0 1 290.363 2.362 20 5 CEBDMN O=C(NCc1ccc2sccc2c1)[C@@H]1CC1[N+](=O)[O-] ZINC000839777788 644813304 /nfs/dbraw/zinc/81/33/04/644813304.db2.gz SKJQQDDPUXOJGL-GHMZBOCLSA-N 0 1 276.317 2.183 20 5 CEBDMN O=[N+]([O-])c1cccc([C@H](O)CN2CC(CC3CC3)C2)c1 ZINC000857211653 644848751 /nfs/dbraw/zinc/84/87/51/644848751.db2.gz CBQXSYBJSQTHFU-OAHLLOKOSA-N 0 1 276.336 2.360 20 5 CEBDMN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000839800167 646138996 /nfs/dbraw/zinc/13/89/96/646138996.db2.gz RWVLDCAMLOGOHY-KBUPBQIOSA-N 0 1 288.347 2.446 20 5 CEBDMN C[C@@H]1CN(Cc2cc(F)ccc2[N+](=O)[O-])[C@H](C)CN1C ZINC000768767976 646162546 /nfs/dbraw/zinc/16/25/46/646162546.db2.gz CYNQHPSSACHCGP-GHMZBOCLSA-N 0 1 281.331 2.258 20 5 CEBDMN CC[C@@H](CCc1ccccc1)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000862691059 646544747 /nfs/dbraw/zinc/54/47/47/646544747.db2.gz OUYBDPRKXOPPPT-BFHYXJOUSA-N 0 1 276.336 2.179 20 5 CEBDMN O=C(Nc1ccc(F)nc1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000780649531 647455337 /nfs/dbraw/zinc/45/53/37/647455337.db2.gz MJVRGYAZTTWQGI-UHFFFAOYSA-N 0 1 277.211 2.087 20 5 CEBDMN C[C@@](N)(C(=O)NC1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000867941235 647995353 /nfs/dbraw/zinc/99/53/53/647995353.db2.gz DROCGFLFIRMKJK-HNNXBMFYSA-N 0 1 291.351 2.218 20 5 CEBDMN NC(=O)CC1(NCc2cc([N+](=O)[O-])ccc2Cl)CCC1 ZINC000789554394 648316232 /nfs/dbraw/zinc/31/62/32/648316232.db2.gz PNQWFCOQXLXZFN-UHFFFAOYSA-N 0 1 297.742 2.136 20 5 CEBDMN Cc1c(CN[C@H]2CCN(C(C)C)C2=O)cccc1[N+](=O)[O-] ZINC000790542707 648429222 /nfs/dbraw/zinc/42/92/22/648429222.db2.gz LNQLZXOHPCDYEO-ZDUSSCGKSA-N 0 1 291.351 2.002 20 5 CEBDMN CC(C)[C@@H](CO)N[C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872043365 649252784 /nfs/dbraw/zinc/25/27/84/649252784.db2.gz XECKAHQKVFSHML-MWLCHTKSSA-N 0 1 270.304 2.401 20 5 CEBDMN C[C@@H](NCCc1ccn(C)n1)c1c(F)cccc1[N+](=O)[O-] ZINC000872063380 649259374 /nfs/dbraw/zinc/25/93/74/649259374.db2.gz WCBNUIPUJQTSHT-SNVBAGLBSA-N 0 1 292.314 2.361 20 5 CEBDMN C[C@H](NC[C@]1(C)CCC(=O)N1)c1c(F)cccc1[N+](=O)[O-] ZINC000872077637 649264921 /nfs/dbraw/zinc/26/49/21/649264921.db2.gz KNSJSRJKSKVBLR-XPTSAGLGSA-N 0 1 295.314 2.053 20 5 CEBDMN CN(Cc1cc(O)ccc1[N+](=O)[O-])OCC(F)(F)F ZINC000879518566 651314871 /nfs/dbraw/zinc/31/48/71/651314871.db2.gz KOJZCNLTUYSUEJ-UHFFFAOYSA-N 0 1 280.202 2.226 20 5 CEBDMN CC(C)c1[nH]nc(C(=O)N2CCC[C@@H](CF)C2)c1[N+](=O)[O-] ZINC000881600380 651816114 /nfs/dbraw/zinc/81/61/14/651816114.db2.gz RJCDSPAGULIBHY-VIFPVBQESA-N 0 1 298.318 2.263 20 5 CEBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCC(F)CC1 ZINC000881607509 651822034 /nfs/dbraw/zinc/82/20/34/651822034.db2.gz RXOHUHBZXUPOAN-UHFFFAOYSA-N 0 1 292.270 2.045 20 5 CEBDMN O=C(OCc1nsc2ccccc12)[C@@H]1CC1[N+](=O)[O-] ZINC000884550737 652910595 /nfs/dbraw/zinc/91/05/95/652910595.db2.gz KQPXVYNJAHCCJZ-PSASIEDQSA-N 0 1 278.289 2.005 20 5 CEBDMN C[C@]1(CO)CCCN1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000723038756 802789279 /nfs/dbraw/zinc/78/92/79/802789279.db2.gz ADALYYAEGLMVCC-CYBMUJFWSA-N 0 1 268.288 2.081 20 5 CEBDMN CO[C@@H]1CCOC[C@H]1N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000724879750 803329963 /nfs/dbraw/zinc/32/99/63/803329963.db2.gz JBDTXVADAMHKKP-ZKYQVNSYSA-N 0 1 280.324 2.049 20 5 CEBDMN CC(C)Nc1ccc([N+](=O)[O-])cc1NCc1nnc[nH]1 ZINC001118579004 815027510 /nfs/dbraw/zinc/02/75/10/815027510.db2.gz SHVLXJJSQWRVNN-UHFFFAOYSA-N 0 1 276.300 2.145 20 5 CEBDMN Cc1nc(Nc2cnn(C)c2C2CC2)ncc1[N+](=O)[O-] ZINC001118986689 815060536 /nfs/dbraw/zinc/06/05/36/815060536.db2.gz LWPOLDVMCTXGDX-UHFFFAOYSA-N 0 1 274.284 2.048 20 5 CEBDMN CCN1CC[C@H](Oc2cc([N+](=O)[O-])c(F)cc2F)C1 ZINC001226191523 805547863 /nfs/dbraw/zinc/54/78/63/805547863.db2.gz PJWKIUPJPGTLRP-QMMMGPOBSA-N 0 1 272.251 2.346 20 5 CEBDMN CC[C@@H](C)[C@H](C(=O)[O-])[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001119607008 815137836 /nfs/dbraw/zinc/13/78/36/815137836.db2.gz VHWMSELDUXJHQZ-QMTHXVAHSA-N 0 1 292.335 2.452 20 5 CEBDMN Cc1cc(CNC(=O)c2cccc(Cl)c2[N+](=O)[O-])n[nH]1 ZINC000716767850 815145728 /nfs/dbraw/zinc/14/57/28/815145728.db2.gz BAELJOQTKMGTKX-UHFFFAOYSA-N 0 1 294.698 2.210 20 5 CEBDMN O=[N+]([O-])C[C@H]1CC[C@@H](N2CC(OCc3ccccc3)C2)C1 ZINC001169027470 811340160 /nfs/dbraw/zinc/34/01/60/811340160.db2.gz QBENRFGDJNUXJU-LSDHHAIUSA-N 0 1 290.363 2.333 20 5 CEBDMN CCOC(=O)[C@H]1C[C@H](C)CCN1[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169035160 811347180 /nfs/dbraw/zinc/34/71/80/811347180.db2.gz ATUWXBCVUAYGJR-ZOBORPQBSA-N 0 1 298.383 2.095 20 5 CEBDMN Cc1scc(COC(=O)[C@@H]2CC2[N+](=O)[O-])c1C ZINC001132507552 812874062 /nfs/dbraw/zinc/87/40/62/812874062.db2.gz OMRLRSCBICNIFU-NXEZZACHSA-N 0 1 255.295 2.073 20 5 CEBDMN CCc1cc(CNc2c3c(ccc2[N+](=O)[O-])NCC3)n[nH]1 ZINC001116784886 814882889 /nfs/dbraw/zinc/88/28/89/814882889.db2.gz BHMUEINVPUOLHC-UHFFFAOYSA-N 0 1 287.323 2.460 20 5 CEBDMN Nc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc2cncn2c1 ZINC001179310511 816848633 /nfs/dbraw/zinc/84/86/33/816848633.db2.gz VJYJXHJIGZTSSW-UHFFFAOYSA-N 0 1 297.274 2.077 20 5 CEBDMN Cc1ccc(CNCc2cnc3cnccn23)cc1[N+](=O)[O-] ZINC001179390065 816859405 /nfs/dbraw/zinc/85/94/05/816859405.db2.gz BDUWOLQVDRPHIU-UHFFFAOYSA-N 0 1 297.318 2.236 20 5 CEBDMN Cc1ccc(CN(C)CCn2cccn2)cc1[N+](=O)[O-] ZINC000125266775 187176855 /nfs/dbraw/zinc/17/68/55/187176855.db2.gz UTMUQRHPQINCNI-UHFFFAOYSA-N 0 1 274.324 2.232 20 5 CEBDMN CCCNC(=O)[C@@H](C)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000036959499 361875289 /nfs/dbraw/zinc/87/52/89/361875289.db2.gz IZYJSACYMIYFLE-NWDGAFQWSA-N 0 1 293.367 2.469 20 5 CEBDMN CC[C@@H](C)NC(=O)CCNCc1csc([N+](=O)[O-])c1 ZINC000038014261 361981844 /nfs/dbraw/zinc/98/18/44/361981844.db2.gz WOUSEOOBDVNPEN-SECBINFHSA-N 0 1 285.369 2.051 20 5 CEBDMN O=c1cc(C2CCC2)[nH]n1-c1ccc([N+](=O)[O-])cc1 ZINC000601935442 346931383 /nfs/dbraw/zinc/93/13/83/346931383.db2.gz UYHYCJOLAFEFDG-UHFFFAOYSA-N 0 1 259.265 2.488 20 5 CEBDMN CC[C@H]1[C@@H](CO)CCN1Cc1csc([N+](=O)[O-])c1 ZINC000449431853 282234809 /nfs/dbraw/zinc/23/48/09/282234809.db2.gz ZJBRJZMCDGLMDA-MNOVXSKESA-N 0 1 270.354 2.249 20 5 CEBDMN Cc1nccc(-c2cccc(NC(=O)[C@H]3C[C@@H]3[N+](=O)[O-])c2)n1 ZINC000044499963 343473308 /nfs/dbraw/zinc/47/33/08/343473308.db2.gz YFHLPCOIKLXZOE-JSGCOSHPSA-N 0 1 298.302 2.056 20 5 CEBDMN O=[N+]([O-])c1ccccc1N1CCN(CC2CC2)CC1 ZINC000059394084 343652815 /nfs/dbraw/zinc/65/28/15/343652815.db2.gz YQTBTQOVMKFDDO-UHFFFAOYSA-N 0 1 261.325 2.127 20 5 CEBDMN Cc1[nH]ncc1CN(C)C(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000602172289 346987744 /nfs/dbraw/zinc/98/77/44/346987744.db2.gz JGAWMSQIUQZZJY-UHFFFAOYSA-N 0 1 288.307 2.207 20 5 CEBDMN CC(=O)NC1CCN([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000075676340 343862000 /nfs/dbraw/zinc/86/20/00/343862000.db2.gz YSSJITPLRRGQCJ-LLVKDONJSA-N 0 1 291.351 2.256 20 5 CEBDMN Cc1[nH]nc(C(=O)N(C(C)C)C2CCC2)c1[N+](=O)[O-] ZINC000077124113 343908565 /nfs/dbraw/zinc/90/85/65/343908565.db2.gz YQHIZDRHKFQDSP-UHFFFAOYSA-N 0 1 266.301 2.029 20 5 CEBDMN CC(C)CN1CCO[C@H](CNc2ccc([N+](=O)[O-])cc2)C1 ZINC000078379664 343950339 /nfs/dbraw/zinc/95/03/39/343950339.db2.gz RKJDYWCAAUKCFR-OAHLLOKOSA-N 0 1 293.367 2.364 20 5 CEBDMN Cc1cccc(C2=CCN(C(=O)[C@H]3CC3[N+](=O)[O-])CC2)c1 ZINC000092518271 344192978 /nfs/dbraw/zinc/19/29/78/344192978.db2.gz LPKUZBXCAZOQMY-GJZGRUSLSA-N 0 1 286.331 2.276 20 5 CEBDMN CN(CCCN1CCCC1=O)Cc1ccccc1[N+](=O)[O-] ZINC000139790223 344395891 /nfs/dbraw/zinc/39/58/91/344395891.db2.gz CKQJBBOXMVIPQY-UHFFFAOYSA-N 0 1 291.351 2.039 20 5 CEBDMN O=[N+]([O-])c1sccc1NCc1n[nH]c(C2CC2)n1 ZINC000590709682 345166501 /nfs/dbraw/zinc/16/65/01/345166501.db2.gz JGVTUEDLEBCAMC-UHFFFAOYSA-N 0 1 265.298 2.264 20 5 CEBDMN O=C([O-])c1ccc([N+](=O)[O-])c(C[N@H+]2CC=CCC2)c1 ZINC000593735514 345529724 /nfs/dbraw/zinc/52/97/24/345529724.db2.gz YAEXVRYHGWAOBA-UHFFFAOYSA-N 0 1 262.265 2.055 20 5 CEBDMN O=C([O-])c1ccc([N+](=O)[O-])c(C[N@@H+]2CC=CCC2)c1 ZINC000593735514 345529727 /nfs/dbraw/zinc/52/97/27/345529727.db2.gz YAEXVRYHGWAOBA-UHFFFAOYSA-N 0 1 262.265 2.055 20 5 CEBDMN C[C@@H]1CC[N@@H+](Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC000593734807 345529859 /nfs/dbraw/zinc/52/98/59/345529859.db2.gz FAURNKCQAZIOHE-SECBINFHSA-N 0 1 264.281 2.135 20 5 CEBDMN C[C@H](O)[C@@H]1CCCCN1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595312417 345760143 /nfs/dbraw/zinc/76/01/43/345760143.db2.gz MLYAURMZMOIIMS-GWCFXTLKSA-N 0 1 282.315 2.469 20 5 CEBDMN Cc1ncc(CN[C@@H](C)c2cccc([N+](=O)[O-])c2)n1C ZINC000594920778 345702046 /nfs/dbraw/zinc/70/20/46/345702046.db2.gz AJGAEJFQOURYFX-JTQLQIEISA-N 0 1 274.324 2.488 20 5 CEBDMN Cc1noc(CN2CC[C@@H]3CCC[C@H]32)c1[N+](=O)[O-] ZINC000595446419 345784859 /nfs/dbraw/zinc/78/48/59/345784859.db2.gz LFEKGFQIHAUBBS-VHSXEESVSA-N 0 1 251.286 2.266 20 5 CEBDMN Cc1noc(CN[C@@H]2CCCC23CCOCC3)c1[N+](=O)[O-] ZINC000595471911 345790984 /nfs/dbraw/zinc/79/09/84/345790984.db2.gz GQQVOUAFXJDNNX-GFCCVEGCSA-N 0 1 295.339 2.330 20 5 CEBDMN CON1CCC(N(C)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595529518 345804191 /nfs/dbraw/zinc/80/41/91/345804191.db2.gz JOFLBODYFORXCR-UHFFFAOYSA-N 0 1 297.330 2.192 20 5 CEBDMN C[C@@H]1COC2(CCC2)CN1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000595681379 345847425 /nfs/dbraw/zinc/84/74/25/345847425.db2.gz LHGFKVKEHOQKAL-LLVKDONJSA-N 0 1 292.335 2.444 20 5 CEBDMN C[C@]1(C2CC2)CN(Cc2cc(O)ccc2[N+](=O)[O-])CCO1 ZINC000595624617 345830837 /nfs/dbraw/zinc/83/08/37/345830837.db2.gz DTLUNPSKSIHZMW-OAHLLOKOSA-N 0 1 292.335 2.301 20 5 CEBDMN C[C@@H](O)[C@H]1CCCN1Cc1ccc([N+](=O)[O-])cc1F ZINC000595767147 345871418 /nfs/dbraw/zinc/87/14/18/345871418.db2.gz VJBQGKFGTAGLCV-NOZJJQNGSA-N 0 1 268.288 2.079 20 5 CEBDMN CCn1nccc1CNCc1ccc(C)c([N+](=O)[O-])c1 ZINC000596062358 345931097 /nfs/dbraw/zinc/93/10/97/345931097.db2.gz PRJOFYLTRSNDGT-UHFFFAOYSA-N 0 1 274.324 2.409 20 5 CEBDMN CN(CC1CN(C)C1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000596452467 346027713 /nfs/dbraw/zinc/02/77/13/346027713.db2.gz DZFHUMLZBCZQQU-UHFFFAOYSA-N 0 1 269.732 2.246 20 5 CEBDMN CN(CC1CN(C)C1)c1nc2ccccc2cc1[N+](=O)[O-] ZINC000596454236 346028138 /nfs/dbraw/zinc/02/81/38/346028138.db2.gz QTVATVKCEGKPSU-UHFFFAOYSA-N 0 1 286.335 2.141 20 5 CEBDMN CC[C@H]1C[C@H](NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CO1 ZINC000597117692 346130557 /nfs/dbraw/zinc/13/05/57/346130557.db2.gz PZUHWCYCNNWAFI-ONGXEEELSA-N 0 1 290.323 2.128 20 5 CEBDMN CC[C@@H]1C[C@@H](NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CO1 ZINC000597117691 346130796 /nfs/dbraw/zinc/13/07/96/346130796.db2.gz PZUHWCYCNNWAFI-MWLCHTKSSA-N 0 1 290.323 2.128 20 5 CEBDMN O=C(NCc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1O ZINC000179000954 232384875 /nfs/dbraw/zinc/38/48/75/232384875.db2.gz GBCGXECIFNFHBL-UHFFFAOYSA-N 0 1 290.250 2.370 20 5 CEBDMN COc1cc(CN2CC[C@H]3C[C@H]3C2)c([N+](=O)[O-])cc1OC ZINC000597223406 346153859 /nfs/dbraw/zinc/15/38/59/346153859.db2.gz NOVPNJHNGWUAMF-QWRGUYRKSA-N 0 1 292.335 2.454 20 5 CEBDMN CC1(C)C[C@]1(C)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000598388587 346344330 /nfs/dbraw/zinc/34/43/30/346344330.db2.gz ZYAWJPNQRLABDP-ZDUSSCGKSA-N 0 1 264.281 2.219 20 5 CEBDMN C[C@H]1CCN(Cc2ccc(F)cc2[N+](=O)[O-])C[C@@H]1CO ZINC000598647566 346392248 /nfs/dbraw/zinc/39/22/48/346392248.db2.gz OUHWSWJOJDOWCW-CMPLNLGQSA-N 0 1 282.315 2.184 20 5 CEBDMN COc1ccc([N+](=O)[O-])cc1CN1CC[C@H](C)[C@H](CO)C1 ZINC000598646420 346392267 /nfs/dbraw/zinc/39/22/67/346392267.db2.gz URLPRJJDTFIPHW-AAEUAGOBSA-N 0 1 294.351 2.054 20 5 CEBDMN CC1(C)CC[C@@H](CO)[N@@H+](Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000598646287 346392439 /nfs/dbraw/zinc/39/24/39/346392439.db2.gz DXCNPKLXOCDRPH-LBPRGKRZSA-N 0 1 294.351 2.283 20 5 CEBDMN C[C@]1(C(=O)[O-])CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000062876882 362728567 /nfs/dbraw/zinc/72/85/67/362728567.db2.gz JHLNKGVZOJBJBZ-AWEZNQCLSA-N 0 1 278.308 2.282 20 5 CEBDMN C[C@@H]1CNCCN1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000598915161 346433332 /nfs/dbraw/zinc/43/33/32/346433332.db2.gz JALFEVSRQMKMAG-MRVPVSSYSA-N 0 1 298.730 2.074 20 5 CEBDMN CCO[C@@]1(C)C[C@H]1NCc1ccccc1[N+](=O)[O-] ZINC000598996343 346444056 /nfs/dbraw/zinc/44/40/56/346444056.db2.gz GSBVUCPNYHCYMQ-OLZOCXBDSA-N 0 1 250.298 2.252 20 5 CEBDMN C[C@@H]1CC[C@]2(CCN(Cc3cn(C)nc3[N+](=O)[O-])C2)C1 ZINC000602596136 347093140 /nfs/dbraw/zinc/09/31/40/347093140.db2.gz HOJVBYFLNDGTTA-RISCZKNCSA-N 0 1 278.356 2.340 20 5 CEBDMN C[C@H]1CCN(Cc2cn(C)nc2[N+](=O)[O-])CC12CCC2 ZINC000602596209 347093318 /nfs/dbraw/zinc/09/33/18/347093318.db2.gz NOAJUVIJWBJIPK-NSHDSACASA-N 0 1 278.356 2.340 20 5 CEBDMN C[C@H]1C[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])CC[C@H]1C(=O)[O-] ZINC000600706061 346674117 /nfs/dbraw/zinc/67/41/17/346674117.db2.gz ZFWZHXGMBGNGNP-VHSXEESVSA-N 0 1 296.298 2.277 20 5 CEBDMN O=[N+]([O-])c1ccc([O-])cc1C[N@@H+]1CC[C@H](O)C12CCCC2 ZINC000339245161 215037823 /nfs/dbraw/zinc/03/78/23/215037823.db2.gz FZWIDJNDCMWCQW-AWEZNQCLSA-N 0 1 292.335 2.180 20 5 CEBDMN Cc1[nH]ncc1CN(C)c1nc(C)cc(C)c1[N+](=O)[O-] ZINC000601181045 346778894 /nfs/dbraw/zinc/77/88/94/346778894.db2.gz DEGCKUKZQPCVDU-UHFFFAOYSA-N 0 1 275.312 2.275 20 5 CEBDMN O=[N+]([O-])c1ccc(CN2CCC[C@@H]2CCO)c(F)c1 ZINC000336813838 365854809 /nfs/dbraw/zinc/85/48/09/365854809.db2.gz VQBBOBIEJXEVGS-LLVKDONJSA-N 0 1 268.288 2.081 20 5 CEBDMN Cc1[nH]ncc1CN(C)c1ccc(F)cc1[N+](=O)[O-] ZINC000601182611 346779797 /nfs/dbraw/zinc/77/97/97/346779797.db2.gz WDSYNFQSDULMIS-UHFFFAOYSA-N 0 1 264.260 2.402 20 5 CEBDMN CC(C)n1ncnc1CNCCc1ccccc1[N+](=O)[O-] ZINC000601108550 346754811 /nfs/dbraw/zinc/75/48/11/346754811.db2.gz IUHLBETVBCFNFA-UHFFFAOYSA-N 0 1 289.339 2.100 20 5 CEBDMN CCN(Cc1cn(C)nc1[N+](=O)[O-])CC(C)(C)C ZINC000602678777 347139855 /nfs/dbraw/zinc/13/98/55/347139855.db2.gz YXQQOJXKFQIDBU-UHFFFAOYSA-N 0 1 254.334 2.196 20 5 CEBDMN O=[N+]([O-])c1cc(C(F)(F)F)ccc1CNC/C=C/CO ZINC000602711321 347164999 /nfs/dbraw/zinc/16/49/99/347164999.db2.gz RBYMGWUYFQAYRT-OWOJBTEDSA-N 0 1 290.241 2.252 20 5 CEBDMN C[C@@H]1CCC[C@@H](C)N1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602776041 347193293 /nfs/dbraw/zinc/19/32/93/347193293.db2.gz OHNVRQYKDMTMFL-NXEZZACHSA-N 0 1 252.318 2.091 20 5 CEBDMN Cn1cc(CNC(C)(C)c2cccs2)c([N+](=O)[O-])n1 ZINC000602810509 347209240 /nfs/dbraw/zinc/20/92/40/347209240.db2.gz MEUNPJYWRCTYEC-UHFFFAOYSA-N 0 1 280.353 2.415 20 5 CEBDMN CN[C@H](C)c1cn([C@@H](C)c2ccccc2[N+](=O)[O-])nn1 ZINC000603220316 347312572 /nfs/dbraw/zinc/31/25/72/347312572.db2.gz SRCZIOMBZYUQIL-ZJUUUORDSA-N 0 1 275.312 2.076 20 5 CEBDMN Cc1cnc(N2C[C@@H]3CCCCN3C[C@H]2C)c([N+](=O)[O-])c1 ZINC000610283967 347669484 /nfs/dbraw/zinc/66/94/84/347669484.db2.gz FDEIEGDIHZJRFF-OLZOCXBDSA-N 0 1 290.367 2.361 20 5 CEBDMN O=[N+]([O-])c1ccc(N2CCc3cn[nH]c3C2)c2ccncc21 ZINC000611006331 347732367 /nfs/dbraw/zinc/73/23/67/347732367.db2.gz FITMCLVKICSQBV-UHFFFAOYSA-N 0 1 295.302 2.429 20 5 CEBDMN Cc1cc(CNc2nc(C)cc(C)c2[N+](=O)[O-])n[nH]1 ZINC000611616511 347799122 /nfs/dbraw/zinc/79/91/22/347799122.db2.gz VBHICMBRTYEOKR-UHFFFAOYSA-N 0 1 261.285 2.250 20 5 CEBDMN C[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)[C@@H]1C(=O)[O-] ZINC000336849460 365926385 /nfs/dbraw/zinc/92/63/85/365926385.db2.gz ROAPGAZSDROJFK-ZANVPECISA-N 0 1 296.298 2.419 20 5 CEBDMN O=[N+]([O-])c1ccccc1/C=C\CN1CC[C@H](n2cncn2)C1 ZINC000614453088 348203033 /nfs/dbraw/zinc/20/30/33/348203033.db2.gz JEPJHZKQZQFESY-MFBWXBCUSA-N 0 1 299.334 2.147 20 5 CEBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC2(CCCCC2)CC1 ZINC000359934145 233170105 /nfs/dbraw/zinc/17/01/05/233170105.db2.gz HTHFOCZBXJDWDE-VXGBXAGGSA-N 0 1 266.341 2.225 20 5 CEBDMN C[C@@H](C[NH2+]Cc1ccccc1[N+](=O)[O-])N(C)C1CC1 ZINC000105489221 186060343 /nfs/dbraw/zinc/06/03/43/186060343.db2.gz YTQYPBOXPIKYGU-NSHDSACASA-N 0 1 263.341 2.167 20 5 CEBDMN COc1cc(CN(C)CC2CC2)c([N+](=O)[O-])cc1OC ZINC000122914621 187059647 /nfs/dbraw/zinc/05/96/47/187059647.db2.gz QAWDHQKMLFXXRI-UHFFFAOYSA-N 0 1 280.324 2.454 20 5 CEBDMN CC1(C)C[C@H]1CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000352289316 219394996 /nfs/dbraw/zinc/39/49/96/219394996.db2.gz HYONNUKYBRCFST-QMMMGPOBSA-N 0 1 288.307 2.247 20 5 CEBDMN Cc1sc(C(=O)N(C)[C@@H]2CCCN(C)C2)cc1[N+](=O)[O-] ZINC000153649830 188095467 /nfs/dbraw/zinc/09/54/67/188095467.db2.gz BAQOWDYZMRUVNH-SNVBAGLBSA-N 0 1 297.380 2.131 20 5 CEBDMN CC[C@@H]1CN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CCS1 ZINC000154384256 188138556 /nfs/dbraw/zinc/13/85/56/188138556.db2.gz YXALNRYCDFELQA-KGLIPLIRSA-N 0 1 296.392 2.456 20 5 CEBDMN CCOCCO[C@H]1CCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000157870995 188344277 /nfs/dbraw/zinc/34/42/77/188344277.db2.gz SYUMXLVLIXUJAZ-AWEZNQCLSA-N 0 1 294.351 2.222 20 5 CEBDMN CO[C@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000076344678 363540269 /nfs/dbraw/zinc/54/02/69/363540269.db2.gz SYYRARBWWYFDGX-ZDUSSCGKSA-N 0 1 250.298 2.206 20 5 CEBDMN CO[C@@H]1CCCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000076348015 363541788 /nfs/dbraw/zinc/54/17/88/363541788.db2.gz KDEAOMPHOHQBJQ-GFCCVEGCSA-N 0 1 250.298 2.206 20 5 CEBDMN CO[C@H](C)[C@@H](C)NCc1ccc([N+](=O)[O-])cc1F ZINC000342327522 216311000 /nfs/dbraw/zinc/31/10/00/216311000.db2.gz AXQHCMUUAIKLGO-RKDXNWHRSA-N 0 1 256.277 2.247 20 5 CEBDMN O=C(Nc1cccc(O)c1F)c1cc(O)cc([N+](=O)[O-])c1 ZINC000581523195 366788476 /nfs/dbraw/zinc/78/84/76/366788476.db2.gz DYWGOELNHYSGJE-UHFFFAOYSA-N 0 1 292.222 2.397 20 5 CEBDMN CCCN1CCN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000015169223 361467596 /nfs/dbraw/zinc/46/75/96/361467596.db2.gz FGGGWROGKOSOGY-UHFFFAOYSA-N 0 1 294.311 2.035 20 5 CEBDMN CN(Cc1cc(Cl)ccc1[N+](=O)[O-])CC(C)(C)O ZINC000093097814 364142108 /nfs/dbraw/zinc/14/21/08/364142108.db2.gz YTWUUEOPIYWSFE-UHFFFAOYSA-N 0 1 272.732 2.451 20 5 CEBDMN Cn1cc([N+](=O)[O-])cc1-c1nc(C2(N)CCCCC2)no1 ZINC000581878939 366831632 /nfs/dbraw/zinc/83/16/32/366831632.db2.gz LZVHNINDOLLXPM-UHFFFAOYSA-N 0 1 291.311 2.101 20 5 CEBDMN COc1cc(C[N@H+](CC(=O)[O-])CC(C)C)ccc1[N+](=O)[O-] ZINC000583940164 367119083 /nfs/dbraw/zinc/11/90/83/367119083.db2.gz SRNZNTIUQVOVGR-UHFFFAOYSA-N 0 1 296.323 2.146 20 5 CEBDMN C[C@@H](CCC(C)(C)C)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000161961986 367125197 /nfs/dbraw/zinc/12/51/97/367125197.db2.gz PNMRXLCQRKJJGI-QMMMGPOBSA-N 0 1 268.317 2.263 20 5 CEBDMN O=C(NC1(C(F)F)CCCCC1)c1n[nH]cc1[N+](=O)[O-] ZINC000341124864 367184070 /nfs/dbraw/zinc/18/40/70/367184070.db2.gz KEJXMWCKDWLZGN-UHFFFAOYSA-N 0 1 288.254 2.016 20 5 CEBDMN CC[C@H]1CCC[C@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000163684013 367259344 /nfs/dbraw/zinc/25/93/44/367259344.db2.gz MARKTNMPTIJPLO-IUCAKERBSA-N 0 1 266.301 2.017 20 5 CEBDMN O=C(N[C@@H]1CC=CCC1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000172396661 367733582 /nfs/dbraw/zinc/73/35/82/367733582.db2.gz SHSCNQIZPHKQQV-SECBINFHSA-N 0 1 286.291 2.310 20 5 CEBDMN CCCN(CCO)Cc1cc([N+](=O)[O-])ccc1OCC ZINC000175093186 368098170 /nfs/dbraw/zinc/09/81/70/368098170.db2.gz OXRLIWOEQOYWPV-UHFFFAOYSA-N 0 1 282.340 2.198 20 5 CEBDMN Cc1[nH]nc(C(=O)N2C[C@@H](C)CC(C)(C)C2)c1[N+](=O)[O-] ZINC000345412661 368266240 /nfs/dbraw/zinc/26/62/40/368266240.db2.gz GISOFJFMIUMUQS-QMMMGPOBSA-N 0 1 280.328 2.135 20 5 CEBDMN CCN1C[C@H](C)N(C(=O)c2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000345967344 368500719 /nfs/dbraw/zinc/50/07/19/368500719.db2.gz SBGXYGIHAAOUQJ-RYUDHWBXSA-N 0 1 291.351 2.150 20 5 CEBDMN CC[C@H](C)NC(=O)CN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000181826358 368497320 /nfs/dbraw/zinc/49/73/20/368497320.db2.gz QYMCQIDJWBJYCS-RYUDHWBXSA-N 0 1 293.367 2.469 20 5 CEBDMN NC(=O)c1ccc(CN2CCCC3(CC3)C2)c([N+](=O)[O-])c1 ZINC000186981859 369079852 /nfs/dbraw/zinc/07/98/52/369079852.db2.gz HQNRJMCTRGCUGQ-UHFFFAOYSA-N 0 1 289.335 2.070 20 5 CEBDMN CC[C@@]1(CO)CCCN1Cc1cc([N+](=O)[O-])ccc1OC ZINC000189661104 369553514 /nfs/dbraw/zinc/55/35/14/369553514.db2.gz SYSRZPFBCDJIMX-HNNXBMFYSA-N 0 1 294.351 2.340 20 5 CEBDMN CCOCCOCCN(C)Cc1cccc([N+](=O)[O-])c1C ZINC000190267442 369609245 /nfs/dbraw/zinc/60/92/45/369609245.db2.gz LOIHLZLNFDZDBE-UHFFFAOYSA-N 0 1 296.367 2.388 20 5 CEBDMN CCOc1ccc([N+](=O)[O-])cc1CN(C)[C@H]1CCC[C@@H]1O ZINC000352702372 369845774 /nfs/dbraw/zinc/84/57/74/369845774.db2.gz XRCBSOXIGFPXTO-KBPBESRZSA-N 0 1 294.351 2.339 20 5 CEBDMN COC(=O)[C@H]1CC[C@@H](NCc2csc([N+](=O)[O-])c2)C1 ZINC000193499274 369948115 /nfs/dbraw/zinc/94/81/15/369948115.db2.gz LYHLWMBJGICRPW-VHSXEESVSA-N 0 1 284.337 2.088 20 5 CEBDMN O=[N+]([O-])c1cc(CNCCOC(F)(F)F)cs1 ZINC000353212968 370075567 /nfs/dbraw/zinc/07/55/67/370075567.db2.gz YQTGNFOBHZFRSW-UHFFFAOYSA-N 0 1 270.232 2.282 20 5 CEBDMN C[C@H](O)C1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000225777491 370317538 /nfs/dbraw/zinc/31/75/38/370317538.db2.gz JDBPQRUBPAJNGF-NSHDSACASA-N 0 1 264.325 2.188 20 5 CEBDMN C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[C@H](O)[C@H](C)C1 ZINC000249604592 371345723 /nfs/dbraw/zinc/34/57/23/371345723.db2.gz ZHRZNULIVJGQAV-GYSYKLTISA-N 0 1 264.325 2.359 20 5 CEBDMN CCn1c(C)nc([N+](=O)[O-])c1N1C[C@H](C)N(CC)C[C@@H]1C ZINC000361040729 371613213 /nfs/dbraw/zinc/61/32/13/371613213.db2.gz ARCYHHKFAJBHFH-QWRGUYRKSA-N 0 1 295.387 2.039 20 5 CEBDMN C[C@@H](C(=O)[O-])[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000262458161 371864631 /nfs/dbraw/zinc/86/46/31/371864631.db2.gz JAZYFMDOUKIXKO-VIFPVBQESA-N 0 1 264.281 2.032 20 5 CEBDMN Cc1c([C@H](C)N[C@@H]2CCCN(C)C2=O)cccc1[N+](=O)[O-] ZINC000361965643 372147952 /nfs/dbraw/zinc/14/79/52/372147952.db2.gz IBIIOLJESVYTJW-WCQYABFASA-N 0 1 291.351 2.175 20 5 CEBDMN COc1cc([N+](=O)[O-])ccc1CSc1cn[nH]n1 ZINC000362338395 372319381 /nfs/dbraw/zinc/31/93/81/372319381.db2.gz DHEOWIJTXDDCAQ-UHFFFAOYSA-N 0 1 266.282 2.014 20 5 CEBDMN Cc1ccc(CNC[C@](C)(O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000270554327 372840756 /nfs/dbraw/zinc/84/07/56/372840756.db2.gz NHZQONQQSIEPRT-NSHDSACASA-N 0 1 292.257 2.306 20 5 CEBDMN Cn1cccc1[C@@H]1CCCCCN1C(=O)[C@H]1CC1[N+](=O)[O-] ZINC000368762938 373257297 /nfs/dbraw/zinc/25/72/97/373257297.db2.gz YEQKNHLLUBWPSR-FPMFFAJLSA-N 0 1 291.351 2.134 20 5 CEBDMN C[C@@H]1CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C[C@H]1C ZINC000272598549 373571757 /nfs/dbraw/zinc/57/17/57/373571757.db2.gz XEZIKBUIYMKJAN-RKDXNWHRSA-N 0 1 264.281 2.028 20 5 CEBDMN CCCC[C@@H](COC)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272605482 373576851 /nfs/dbraw/zinc/57/68/51/373576851.db2.gz YIXSNBJPWNHXGF-NSHDSACASA-N 0 1 296.323 2.235 20 5 CEBDMN CC1(CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)CCC1 ZINC000272701783 373621465 /nfs/dbraw/zinc/62/14/65/373621465.db2.gz UQWGAZPSPFTCHG-UHFFFAOYSA-N 0 1 264.281 2.220 20 5 CEBDMN O=C(NC1CC(c2cccc(Cl)c2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000371000529 373769948 /nfs/dbraw/zinc/76/99/48/373769948.db2.gz QGTQKEPWROZIDB-BVIDSFGJSA-N 0 1 294.738 2.367 20 5 CEBDMN O=C(NCc1ccc(-c2ccncc2)cc1)[C@H]1CC1[N+](=O)[O-] ZINC000372660518 374174889 /nfs/dbraw/zinc/17/48/89/374174889.db2.gz PQEAZRWNZXNFMN-LSDHHAIUSA-N 0 1 297.314 2.030 20 5 CEBDMN C[C@@H]1C[C@H](c2ccccc2)N(C(=O)[C@H]2CC2[N+](=O)[O-])C1 ZINC000376196388 374699117 /nfs/dbraw/zinc/69/91/17/374699117.db2.gz GHINUEMMDUFZCZ-CABNGKKXSA-N 0 1 274.320 2.261 20 5 CEBDMN COc1cc(CN2[C@@H](CO)CCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000305878406 376526393 /nfs/dbraw/zinc/52/63/93/376526393.db2.gz SNHNIRLKUFSTTP-WCQYABFASA-N 0 1 294.351 2.339 20 5 CEBDMN C[C@H]1CC[C@H]([N@@H+](CCO)Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000330449557 377137318 /nfs/dbraw/zinc/13/73/18/377137318.db2.gz JDVOBLDYRHYAFV-AAEUAGOBSA-N 0 1 294.351 2.283 20 5 CEBDMN COc1cc(C[N@@H+](CC(=O)[O-])C2CCC2)ccc1[N+](=O)[O-] ZINC000563456973 377231371 /nfs/dbraw/zinc/23/13/71/377231371.db2.gz XSLQETIMFRMLFG-UHFFFAOYSA-N 0 1 294.307 2.043 20 5 CEBDMN CC[C@H](C)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000293024324 377397505 /nfs/dbraw/zinc/39/75/05/377397505.db2.gz FRUFOXSJTMOCKF-LBPRGKRZSA-N 0 1 291.351 2.151 20 5 CEBDMN O=[N+]([O-])c1cccc(CN2CCC3(CC2)OCCCO3)c1 ZINC000293140952 377443965 /nfs/dbraw/zinc/44/39/65/377443965.db2.gz UFLTZOWYDJKRTL-UHFFFAOYSA-N 0 1 292.335 2.324 20 5 CEBDMN C[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C[C@H]1C(=O)[O-] ZINC000565303027 377635932 /nfs/dbraw/zinc/63/59/32/377635932.db2.gz KRCPUSVWKBKIBT-GXFFZTMASA-N 0 1 278.308 2.137 20 5 CEBDMN Cc1[nH]nc(C(=O)N2CC3(CCC3)[C@H]2C(C)C)c1[N+](=O)[O-] ZINC000293695545 377705349 /nfs/dbraw/zinc/70/53/49/377705349.db2.gz ICPCROIRPKHJPV-GFCCVEGCSA-N 0 1 292.339 2.277 20 5 CEBDMN CN(CCc1cccc([N+](=O)[O-])c1)Cc1cccnc1N ZINC000295424656 378151007 /nfs/dbraw/zinc/15/10/07/378151007.db2.gz ULUCCTTXCSDXOP-UHFFFAOYSA-N 0 1 286.335 2.247 20 5 CEBDMN C[C@H]1CCCN(CCNC(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000298511623 378750865 /nfs/dbraw/zinc/75/08/65/378750865.db2.gz UYJDYQWROWYZPG-JTQLQIEISA-N 0 1 297.380 2.118 20 5 CEBDMN C[C@H](NCC(=O)N(C)CC1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000451103596 378709031 /nfs/dbraw/zinc/70/90/31/378709031.db2.gz IEVKEJUYFMEVLJ-NSHDSACASA-N 0 1 291.351 2.114 20 5 CEBDMN O=[N+]([O-])c1cc(F)ccc1NCCCCN1CCOCC1 ZINC000298733323 378817403 /nfs/dbraw/zinc/81/74/03/378817403.db2.gz TZHYEFAIYBYVQB-UHFFFAOYSA-N 0 1 297.330 2.258 20 5 CEBDMN CC(C)CCNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000299195871 378931313 /nfs/dbraw/zinc/93/13/13/378931313.db2.gz NLOCJSOAENRIIP-UHFFFAOYSA-N 0 1 290.316 2.058 20 5 CEBDMN CC[C@H]1CN(C)CCN1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000515424230 379215918 /nfs/dbraw/zinc/21/59/18/379215918.db2.gz OUDKALRKSXVRAU-LBPRGKRZSA-N 0 1 292.339 2.153 20 5 CEBDMN Cc1c(C[N@@H+]2CC[C@@H](C)[C@@H](C(=O)[O-])C2)cccc1[N+](=O)[O-] ZINC000521042800 379513041 /nfs/dbraw/zinc/51/30/41/379513041.db2.gz QYPRWNIVMJPETF-MFKMUULPSA-N 0 1 292.335 2.446 20 5 CEBDMN CC[C@H]1CN(C)CCN1c1ccc(F)cc1[N+](=O)[O-] ZINC000549261901 380597240 /nfs/dbraw/zinc/59/72/40/380597240.db2.gz WCFZLEHMWGVUIY-NSHDSACASA-N 0 1 267.304 2.264 20 5 CEBDMN C[C@H]1CCN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000331601859 394632350 /nfs/dbraw/zinc/63/23/50/394632350.db2.gz QBZMYZVCHBWZIM-SMDDNHRTSA-N 0 1 289.335 2.042 20 5 CEBDMN CC(C)c1[nH]nc(C(=O)N2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC000269328386 394717398 /nfs/dbraw/zinc/71/73/98/394717398.db2.gz LSNYCJBDZBSGPN-SECBINFHSA-N 0 1 280.328 2.456 20 5 CEBDMN Cc1cnc([C@@H]2CCCCN2C(=O)[C@@H]2CC2[N+](=O)[O-])s1 ZINC000360829174 394808571 /nfs/dbraw/zinc/80/85/71/394808571.db2.gz MLCGJKYOTXACGX-VWYCJHECSA-N 0 1 295.364 2.170 20 5 CEBDMN CO[C@@H]1CN([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C[C@@H]1OC ZINC000276812726 394815486 /nfs/dbraw/zinc/81/54/86/394815486.db2.gz DWYCCENDWFDHQB-TUKIKUTGSA-N 0 1 294.351 2.310 20 5 CEBDMN CCN1CCN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000286189965 395016230 /nfs/dbraw/zinc/01/62/30/395016230.db2.gz AZABJMSOOIANBA-JTQLQIEISA-N 0 1 294.311 2.033 20 5 CEBDMN O=C(CCNCc1csc([N+](=O)[O-])c1)N1CCCCC1 ZINC000134477632 394958163 /nfs/dbraw/zinc/95/81/63/394958163.db2.gz DHUOEESTXSFCAU-UHFFFAOYSA-N 0 1 297.380 2.149 20 5 CEBDMN CCN1C[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000344438537 395055712 /nfs/dbraw/zinc/05/57/12/395055712.db2.gz XCOCEHWUOXKOAD-RYUDHWBXSA-N 0 1 291.351 2.150 20 5 CEBDMN Cc1cc(N)nc(SCc2cc(O)ccc2[N+](=O)[O-])n1 ZINC000436477777 395119871 /nfs/dbraw/zinc/11/98/71/395119871.db2.gz ZOZURBLHBWEVGS-UHFFFAOYSA-N 0 1 292.320 2.104 20 5 CEBDMN Cc1[nH]nc(C(=O)Nc2ccc(O)c(Cl)c2)c1[N+](=O)[O-] ZINC000436630004 395136454 /nfs/dbraw/zinc/13/64/54/395136454.db2.gz LCNRMPPJFUTBTQ-UHFFFAOYSA-N 0 1 296.670 2.238 20 5 CEBDMN CCc1[nH]nc(C(=O)N2C[C@@H]3CCCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000176211011 395137339 /nfs/dbraw/zinc/13/73/39/395137339.db2.gz TWDSJJMDSSEBAX-AOOOYVTPSA-N 0 1 292.339 2.143 20 5 CEBDMN CC(=O)NC1CCN(Cc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000183309082 395254157 /nfs/dbraw/zinc/25/41/57/395254157.db2.gz DLZFGIBSSLFVDL-UHFFFAOYSA-N 0 1 291.351 2.004 20 5 CEBDMN Cc1cc([N+](=O)[O-])cc(Cl)c1NCCc1nc[nH]n1 ZINC000444830968 395456057 /nfs/dbraw/zinc/45/60/57/395456057.db2.gz ZWBFBYVFZWTKLF-UHFFFAOYSA-N 0 1 281.703 2.329 20 5 CEBDMN C[C@H](N(C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C(C)(C)O ZINC000451362912 395610546 /nfs/dbraw/zinc/61/05/46/395610546.db2.gz AMIICXCKUSFQTG-VIFPVBQESA-N 0 1 292.339 2.062 20 5 CEBDMN C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[C@](O)(C(F)F)C1 ZINC000451441805 395618540 /nfs/dbraw/zinc/61/85/40/395618540.db2.gz ZJOTZOSQBHTNFE-TVQRCGJNSA-N 0 1 286.278 2.358 20 5 CEBDMN C[C@@H](Nc1ccc([N+](=O)[O-])cc1F)c1nnc[nH]1 ZINC000219649326 153303300 /nfs/dbraw/zinc/30/33/00/153303300.db2.gz HNJGTQVUAQLJQR-ZCFIWIBFSA-N 0 1 251.221 2.025 20 5 CEBDMN C[C@]1(O)CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000230376168 153396304 /nfs/dbraw/zinc/39/63/04/153396304.db2.gz YXBIMEDKWQTIAE-AWEZNQCLSA-N 0 1 264.325 2.332 20 5 CEBDMN Cc1ccc([C@@H]2CCCN2C(=O)[C@H]2CC2[N+](=O)[O-])cc1 ZINC000363210066 156009504 /nfs/dbraw/zinc/00/95/04/156009504.db2.gz ABUFGGHSULYELF-IHRRRGAJSA-N 0 1 274.320 2.324 20 5 CEBDMN Cn1ccnc1[C@H]1CCN(Cc2csc([N+](=O)[O-])c2)C1 ZINC000367705792 156229179 /nfs/dbraw/zinc/22/91/79/156229179.db2.gz QZJFOUDHJHCDRB-NSHDSACASA-N 0 1 292.364 2.379 20 5 CEBDMN O=[N+]([O-])c1ccc(CN2CCCC[C@@H](CO)C2)cc1F ZINC000374857146 157019059 /nfs/dbraw/zinc/01/90/59/157019059.db2.gz AFJIKASLPYBCRW-GFCCVEGCSA-N 0 1 282.315 2.328 20 5 CEBDMN O=C(N[C@@H]1CC[C@H](c2ccc(F)cc2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000375907986 157162630 /nfs/dbraw/zinc/16/26/30/157162630.db2.gz ULBDWPDELNXZNA-ASEORRQLSA-N 0 1 292.310 2.243 20 5 CEBDMN C[C@@H](N[C@@H](C)C(=O)N1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000135678177 287045693 /nfs/dbraw/zinc/04/56/93/287045693.db2.gz JJUMJNBSGFGRLW-NEPJUHHUSA-N 0 1 291.351 2.256 20 5 CEBDMN Cc1c([C@@H](C)NCC(=O)NC(C)(C)C)cccc1[N+](=O)[O-] ZINC000177765413 165206060 /nfs/dbraw/zinc/20/60/60/165206060.db2.gz JVQUITWVJOWTOV-LLVKDONJSA-N 0 1 293.367 2.469 20 5 CEBDMN O=[N+]([O-])c1ccc(N[C@H]2CCN(C3CC3)C2)c(F)c1 ZINC000044417327 175173240 /nfs/dbraw/zinc/17/32/40/175173240.db2.gz NLQKXDAHJBSVCN-VIFPVBQESA-N 0 1 265.288 2.383 20 5 CEBDMN O=[N+]([O-])c1ccc(Cl)c(CNC[C@H](O)C2CC2)c1 ZINC000071300929 176114037 /nfs/dbraw/zinc/11/40/37/176114037.db2.gz CAMFXFKMNPPIIL-LBPRGKRZSA-N 0 1 270.716 2.109 20 5 CEBDMN CC1(C)CN(C/C=C\c2ccccc2[N+](=O)[O-])C[C@H]1O ZINC000448374114 261132990 /nfs/dbraw/zinc/13/29/90/261132990.db2.gz RYNJMDWRRAHMGN-BRLPQQTGSA-N 0 1 276.336 2.311 20 5 CEBDMN CC1(C)CN(C/C=C\c2ccccc2[N+](=O)[O-])C[C@@H]1O ZINC000448374119 261133113 /nfs/dbraw/zinc/13/31/13/261133113.db2.gz RYNJMDWRRAHMGN-VSKVDJIOSA-N 0 1 276.336 2.311 20 5 CEBDMN CCOc1ccc([N+](=O)[O-])cc1CN1CC[C@@H](CO)[C@H]1C ZINC000488785961 262394103 /nfs/dbraw/zinc/39/41/03/262394103.db2.gz PMQNPVKCQGUEOZ-NEPJUHHUSA-N 0 1 294.351 2.196 20 5 CEBDMN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1C[C@@H](C)N[C@@H](C)C1 ZINC000422817408 270781809 /nfs/dbraw/zinc/78/18/09/270781809.db2.gz HOIINXGBHMHSAU-TXEJJXNPSA-N 0 1 291.351 2.034 20 5 CEBDMN Cc1ccc([N+](=O)[O-])c(N2CC[C@@H](c3nc[nH]n3)C2)c1 ZINC000425275527 271151479 /nfs/dbraw/zinc/15/14/79/271151479.db2.gz ALOOGWZZOCEKPC-SNVBAGLBSA-N 0 1 273.296 2.015 20 5 CEBDMN Cc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2)cn1 ZINC000430049070 271355263 /nfs/dbraw/zinc/35/52/63/271355263.db2.gz GNPHEVJGAZLWQR-UHFFFAOYSA-N 0 1 293.304 2.099 20 5 CEBDMN C[C@@H]1CCN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000331601855 274304196 /nfs/dbraw/zinc/30/41/96/274304196.db2.gz QBZMYZVCHBWZIM-RISCZKNCSA-N 0 1 289.335 2.042 20 5 CEBDMN O=[N+]([O-])c1ccc(NCCN2CCC2)nc1-c1ccccc1 ZINC000341388939 275035025 /nfs/dbraw/zinc/03/50/25/275035025.db2.gz VTCIGIOIDTUSKI-UHFFFAOYSA-N 0 1 298.346 2.196 20 5 CEBDMN CC(C)c1[nH]nc(C(=O)N2CC[C@@H](C3CC3)C2)c1[N+](=O)[O-] ZINC000345047683 276040842 /nfs/dbraw/zinc/04/08/42/276040842.db2.gz AGRAYLUVTDFGES-SNVBAGLBSA-N 0 1 292.339 2.313 20 5 CEBDMN CC1(C)CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C[C@H]1c1ccccc1 ZINC000372113359 276125712 /nfs/dbraw/zinc/12/57/12/276125712.db2.gz JBDZRYKIWBFNOW-RDBSUJKOSA-N 0 1 288.347 2.304 20 5 CEBDMN CC(C)(C)CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000299403879 277146136 /nfs/dbraw/zinc/14/61/36/277146136.db2.gz MUGKSHDZMHOJPD-UHFFFAOYSA-N 0 1 290.316 2.058 20 5 CEBDMN CNC(=O)[C@@H](C)CN(C)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000176350675 277240014 /nfs/dbraw/zinc/24/00/14/277240014.db2.gz PJYKPULZLJNSRL-VIFPVBQESA-N 0 1 299.758 2.062 20 5 CEBDMN Cc1cc(C)c([N+](=O)[O-])c(N2C[C@@H](C)N(C)[C@H](C)C2)n1 ZINC000338796474 278665491 /nfs/dbraw/zinc/66/54/91/278665491.db2.gz SLZILRSDLFRHIH-VXGBXAGGSA-N 0 1 278.356 2.135 20 5 CEBDMN C[C@@H]1[C@@H](C)N(Cc2c(F)cccc2[N+](=O)[O-])CCN1C ZINC000356977089 279083117 /nfs/dbraw/zinc/08/31/17/279083117.db2.gz CFEJEHCMCDEFMD-GHMZBOCLSA-N 0 1 281.331 2.258 20 5 CEBDMN COc1ccc([N+](=O)[O-])cc1CN[C@@H]1COC(C)(C)C1 ZINC000396675409 280675575 /nfs/dbraw/zinc/67/55/75/280675575.db2.gz UIFSASNHZZEPPR-NSHDSACASA-N 0 1 280.324 2.261 20 5 CEBDMN Cc1cccc([N+](=O)[O-])c1N1CCN(C(C)C)CC1 ZINC000301196465 281259931 /nfs/dbraw/zinc/25/99/31/281259931.db2.gz ULZKTEHBABBKCI-UHFFFAOYSA-N 0 1 263.341 2.434 20 5 CEBDMN COc1cc(/C=C/c2ccncn2)cc([N+](=O)[O-])c1O ZINC000436865713 281409156 /nfs/dbraw/zinc/40/91/56/281409156.db2.gz SWGASQPIJZBBBA-NSCUHMNNSA-N 0 1 273.248 2.269 20 5 CEBDMN C[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])c1cccc(F)c1F ZINC000153842076 289124544 /nfs/dbraw/zinc/12/45/44/289124544.db2.gz KVKFJASNXOWOGB-LURJTMIESA-N 0 1 296.233 2.087 20 5 CEBDMN CC(C)C[C@@H]1C[C@H]1NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000457983989 289858376 /nfs/dbraw/zinc/85/83/76/289858376.db2.gz BBRZSKJQUHKLDT-NOZJJQNGSA-N 0 1 278.308 2.465 20 5 CEBDMN O=[N+]([O-])c1ccc(OCCN2C[C@@H]3C[C@H]2CS3)cc1 ZINC000459792812 290242054 /nfs/dbraw/zinc/24/20/54/290242054.db2.gz JUTIZVVNWIKDCV-AAEUAGOBSA-N 0 1 280.349 2.163 20 5 CEBDMN COc1ccc([N+](=O)[O-])c(N2C[C@@H](C)N(C)[C@@H](C)C2)c1 ZINC000292699471 295254449 /nfs/dbraw/zinc/25/44/49/295254449.db2.gz FXMCBUDDHJSGQN-PHIMTYICSA-N 0 1 279.340 2.132 20 5 CEBDMN CC(C)C[C@@H](N)c1noc(-c2cc([N+](=O)[O-])cn2C)n1 ZINC000563120878 298739162 /nfs/dbraw/zinc/73/91/62/298739162.db2.gz KUQKVZGDUUBBTH-SECBINFHSA-N 0 1 279.300 2.029 20 5 CEBDMN CNc1ccc(-c2nc(C3(N)CCC3)no2)cc1[N+](=O)[O-] ZINC000566215800 313858066 /nfs/dbraw/zinc/85/80/66/313858066.db2.gz TZGHIQRWNKCCHP-UHFFFAOYSA-N 0 1 289.295 2.024 20 5 CEBDMN C[C@H](C(=O)[O-])[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CCC1 ZINC000576718487 314305158 /nfs/dbraw/zinc/30/51/58/314305158.db2.gz BUYWPJMOKKQHDV-SNVBAGLBSA-N 0 1 278.308 2.422 20 5 CEBDMN Cc1nc([C@H](C)N2CCc3c(cccc3[N+](=O)[O-])C2)n[nH]1 ZINC000580406020 322315495 /nfs/dbraw/zinc/31/54/95/322315495.db2.gz VUDBIVHIHTVTNQ-VIFPVBQESA-N 0 1 287.323 2.141 20 5 CEBDMN CCN(C)C(=O)[C@H](C)N[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000581081449 322368399 /nfs/dbraw/zinc/36/83/99/322368399.db2.gz BAQXZPSPUHPILZ-GWCFXTLKSA-N 0 1 291.351 2.039 20 5 CEBDMN C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000363415994 525459278 /nfs/dbraw/zinc/45/92/78/525459278.db2.gz AFVBKFCJRBGGPP-JXJLXUTGSA-N 0 1 292.310 2.400 20 5 CEBDMN O=[N+]([O-])c1ccc2c(c1)CN(Cc1n[nH]c(C3CC3)n1)CC2 ZINC000355032058 534883601 /nfs/dbraw/zinc/88/36/01/534883601.db2.gz OHNIOQSWZCKLLY-UHFFFAOYSA-N 0 1 299.334 2.149 20 5 CEBDMN Cc1ccc([C@H](C)NCC(=O)N(C)C2CC2)cc1[N+](=O)[O-] ZINC000181815731 525916794 /nfs/dbraw/zinc/91/67/94/525916794.db2.gz XDAARFOFSDUGTR-NSHDSACASA-N 0 1 291.351 2.175 20 5 CEBDMN CC1(CNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000357625930 527979250 /nfs/dbraw/zinc/97/92/50/527979250.db2.gz XKWUCCIIYOZQIY-UHFFFAOYSA-N 0 1 274.280 2.001 20 5 CEBDMN CC[C@H]1CCCN1Cn1nc(C)c([N+](=O)[O-])c1C ZINC000727824442 574456450 /nfs/dbraw/zinc/45/64/50/574456450.db2.gz PPRHCLWIPBPKGY-NSHDSACASA-N 0 1 252.318 2.240 20 5 CEBDMN CCc1cc(CNc2nccc(C)c2[N+](=O)[O-])n[nH]1 ZINC000734479162 574714827 /nfs/dbraw/zinc/71/48/27/574714827.db2.gz GNJKSFMBAGGXPC-UHFFFAOYSA-N 0 1 261.285 2.196 20 5 CEBDMN CC(C)[N@@H+](CC(=O)[O-])Cc1c(F)cccc1[N+](=O)[O-] ZINC000736454983 574789186 /nfs/dbraw/zinc/78/91/86/574789186.db2.gz NUNSSVMIVWNMIG-UHFFFAOYSA-N 0 1 270.260 2.029 20 5 CEBDMN O=C([O-])C[C@H]1CCC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000054300567 597088689 /nfs/dbraw/zinc/08/86/89/597088689.db2.gz LUIFGEJTOHWESS-SNVBAGLBSA-N 0 1 296.298 2.421 20 5 CEBDMN C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCCN(C(=O)[O-])CC1 ZINC000825637559 603562569 /nfs/dbraw/zinc/56/25/69/603562569.db2.gz DTOISGWBXAOKSI-NSHDSACASA-N 0 1 293.323 2.342 20 5 CEBDMN C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCCN(C(=O)[O-])CC1 ZINC000825637559 603562573 /nfs/dbraw/zinc/56/25/73/603562573.db2.gz DTOISGWBXAOKSI-NSHDSACASA-N 0 1 293.323 2.342 20 5 CEBDMN CC[N@H+]1C[C@@H](C)[C@H](Nc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC000833658546 605191806 /nfs/dbraw/zinc/19/18/06/605191806.db2.gz SVWBESJVBOETNP-BXKDBHETSA-N 0 1 293.323 2.045 20 5 CEBDMN CC1(C)[C@H](O)CCN1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000311827290 627702475 /nfs/dbraw/zinc/70/24/75/627702475.db2.gz OKTRMSRQBHBTKH-GFCCVEGCSA-N 0 1 268.288 2.079 20 5 CEBDMN O=[N+]([O-])CCN[C@@H](c1ccccc1)C1(CO)CCCC1 ZINC000930681853 628218963 /nfs/dbraw/zinc/21/89/63/628218963.db2.gz RAQZEYRSYRBZKH-AWEZNQCLSA-N 0 1 278.352 2.147 20 5 CEBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@@H]1C(=O)NCC1(C)C ZINC000931653082 628747932 /nfs/dbraw/zinc/74/79/32/628747932.db2.gz JHMKUITZJOENGR-ZWNOBZJWSA-N 0 1 291.351 2.078 20 5 CEBDMN CCN(CC[N+](=O)[O-])[C@@H](C)c1cccc(OC)c1 ZINC000791051628 629238716 /nfs/dbraw/zinc/23/87/16/629238716.db2.gz HCBBJNFWGUCHAJ-NSHDSACASA-N 0 1 252.314 2.355 20 5 CEBDMN CO[C@H](C)CN(C)Cn1nc(C)c2ccc([N+](=O)[O-])cc21 ZINC000795746163 629664917 /nfs/dbraw/zinc/66/49/17/629664917.db2.gz GUMIWNGNDSXIIN-SNVBAGLBSA-N 0 1 292.339 2.177 20 5 CEBDMN CCn1nc(C)c([N+](=O)[O-])c1N1C[C@@H](C)N(CC)[C@@H](C)C1 ZINC000895099941 629895171 /nfs/dbraw/zinc/89/51/71/629895171.db2.gz OSCVRYFLMFNVDA-PHIMTYICSA-N 0 1 295.387 2.039 20 5 CEBDMN CN1CCN(c2ccc([N+](=O)[O-])cn2)C[C@H]1C(C)(C)C ZINC000895100228 629895510 /nfs/dbraw/zinc/89/55/10/629895510.db2.gz SBZVHAHPVVTCSJ-LBPRGKRZSA-N 0 1 278.356 2.156 20 5 CEBDMN Cc1cc([N+](=O)[O-])cnc1N1CCN(C)[C@H](C(C)(C)C)C1 ZINC000895100336 629896127 /nfs/dbraw/zinc/89/61/27/629896127.db2.gz AJIBOXJTRCXOAK-ZDUSSCGKSA-N 0 1 292.383 2.465 20 5 CEBDMN CC(C)[C@H](C(=O)OCc1c(F)cccc1[N+](=O)[O-])N(C)C ZINC000803494272 631574727 /nfs/dbraw/zinc/57/47/27/631574727.db2.gz AUBBJESEIGIXQY-CYBMUJFWSA-N 0 1 298.314 2.363 20 5 CEBDMN CC(C)[C@H](N)c1noc(Cc2cccc([N+](=O)[O-])c2)n1 ZINC000843148495 631859821 /nfs/dbraw/zinc/85/98/21/631859821.db2.gz SZGMCHMZTRICMC-LBPRGKRZSA-N 0 1 276.296 2.224 20 5 CEBDMN CS[C@@H]1CCN(Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000840112849 631866003 /nfs/dbraw/zinc/86/60/03/631866003.db2.gz BTSRWWPNYAABQA-GFCCVEGCSA-N 0 1 292.364 2.339 20 5 CEBDMN O=C(Nc1cccc(C(F)F)c1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000840310135 632774134 /nfs/dbraw/zinc/77/41/34/632774134.db2.gz PZWTYSUBSIMMCB-RKDXNWHRSA-N 0 1 256.208 2.228 20 5 CEBDMN C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1CNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000899405912 632835239 /nfs/dbraw/zinc/83/52/39/632835239.db2.gz QXNLFVDEYWYLLE-DURYJLSESA-N 0 1 290.319 2.322 20 5 CEBDMN O=[N+]([O-])CCN[C@@H]1CCc2cc(Br)ccc21 ZINC000899873595 633066594 /nfs/dbraw/zinc/06/65/94/633066594.db2.gz SQBOZKYOVYXNIQ-LLVKDONJSA-N 0 1 285.141 2.303 20 5 CEBDMN Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CC[C@@H](C(=O)[O-])C1 ZINC000901488523 634139572 /nfs/dbraw/zinc/13/95/72/634139572.db2.gz HICOOCBTDRZYEG-LLVKDONJSA-N 0 1 278.308 2.118 20 5 CEBDMN C[C@@H](COc1ccccc1C(F)(F)F)NCC[N+](=O)[O-] ZINC000905066013 635809275 /nfs/dbraw/zinc/80/92/75/635809275.db2.gz AIBOUEPPARKWMV-VIFPVBQESA-N 0 1 292.257 2.339 20 5 CEBDMN O=[N+]([O-])CCNCCOc1cccc(Cl)c1Cl ZINC000905068628 635810613 /nfs/dbraw/zinc/81/06/13/635810613.db2.gz PRSXLXKCRRTMQA-UHFFFAOYSA-N 0 1 279.123 2.239 20 5 CEBDMN C[C@@H](NCC[N+](=O)[O-])[C@@H](O)c1c(Cl)cccc1Cl ZINC000905365873 636246858 /nfs/dbraw/zinc/24/68/58/636246858.db2.gz REJQXASGFCQTEY-RDDDGLTNSA-N 0 1 293.150 2.282 20 5 CEBDMN O=[N+]([O-])CCNCc1ccccc1CC(F)(F)F ZINC000905399562 636256713 /nfs/dbraw/zinc/25/67/13/636256713.db2.gz PGDZGCKNOUNXRR-UHFFFAOYSA-N 0 1 262.231 2.158 20 5 CEBDMN COC(=O)[C@@H]1CCC[C@@H]1NCc1cc(F)ccc1[N+](=O)[O-] ZINC000830981267 637208536 /nfs/dbraw/zinc/20/85/36/637208536.db2.gz QTNQMCLLEPLPLO-NEPJUHHUSA-N 0 1 296.298 2.165 20 5 CEBDMN C[C@H](NC(=O)[C@H]1CCCCN1C)c1ccc([N+](=O)[O-])cc1 ZINC000833029690 637707919 /nfs/dbraw/zinc/70/79/19/637707919.db2.gz MEGZPIMNVCFBHS-SMDDNHRTSA-N 0 1 291.351 2.256 20 5 CEBDMN CC(C)(C)O[C@H]1C[C@@H](OC(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000835862244 638431728 /nfs/dbraw/zinc/43/17/28/638431728.db2.gz ISPPKIHCOSJBQJ-DTORHVGOSA-N 0 1 282.296 2.426 20 5 CEBDMN CC[N@@H+](CCO)Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000876526707 639235837 /nfs/dbraw/zinc/23/58/37/639235837.db2.gz BZSUUBJPPMMDMT-UHFFFAOYSA-N 0 1 252.314 2.026 20 5 CEBDMN O=C(OCc1cc(O)ccc1[N+](=O)[O-])[C@H]1CCCSC1 ZINC000837739030 639368578 /nfs/dbraw/zinc/36/85/78/639368578.db2.gz WXXJOOKCCNVRAC-VIFPVBQESA-N 0 1 297.332 2.487 20 5 CEBDMN COC[C@@H](C)[C@H](C)C(=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837739342 639369286 /nfs/dbraw/zinc/36/92/86/639369286.db2.gz UYERAJDRXGTWSJ-ZJUUUORDSA-N 0 1 297.307 2.262 20 5 CEBDMN Cc1nc(C(C)C)ccc1COC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840674826 639521751 /nfs/dbraw/zinc/52/17/51/639521751.db2.gz PITSIYAWWGYQJH-DGCLKSJQSA-N 0 1 278.308 2.222 20 5 CEBDMN O=C(O[C@@H](c1ccccc1)c1ccccn1)[C@@H]1CC1[N+](=O)[O-] ZINC000841023302 639619292 /nfs/dbraw/zinc/61/92/92/639619292.db2.gz AKPSSGBBLXOGBR-YUELXQCFSA-N 0 1 298.298 2.379 20 5 CEBDMN O=C(Nc1cc(F)cc(Cl)c1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000841150875 639692518 /nfs/dbraw/zinc/69/25/18/639692518.db2.gz ZEUDZUWLBJXVJX-RKDXNWHRSA-N 0 1 258.636 2.083 20 5 CEBDMN CC[C@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccc(OC)cc1 ZINC000841163826 639697127 /nfs/dbraw/zinc/69/71/27/639697127.db2.gz AGCXOGQYWWBVRF-UPJWGTAASA-N 0 1 279.292 2.355 20 5 CEBDMN O=C(Oc1ccccc1OC(F)(F)F)[C@@H]1CC1[N+](=O)[O-] ZINC000841182998 639701670 /nfs/dbraw/zinc/70/16/70/639701670.db2.gz QPCLVACJQCVRKU-RNFRBKRXSA-N 0 1 291.181 2.156 20 5 CEBDMN O=C(O[C@@H]1CC[C@H]2CCC[C@@H]2C1)[C@@H]1CC1[N+](=O)[O-] ZINC000842339478 640020821 /nfs/dbraw/zinc/02/08/21/640020821.db2.gz OLOXIIPWQSUNLI-LZQZFOIKSA-N 0 1 253.298 2.164 20 5 CEBDMN O=C(O[C@@H]1CC[C@@H]2CCC[C@@H]2C1)[C@@H]1CC1[N+](=O)[O-] ZINC000842339480 640021156 /nfs/dbraw/zinc/02/11/56/640021156.db2.gz OLOXIIPWQSUNLI-VSSNEEPJSA-N 0 1 253.298 2.164 20 5 CEBDMN Cc1nc2ccc(COC(=O)[C@@H]3CC3[N+](=O)[O-])cc2s1 ZINC000842855616 640206438 /nfs/dbraw/zinc/20/64/38/640206438.db2.gz PSPWTCHSQMRXCF-MWLCHTKSSA-N 0 1 292.316 2.313 20 5 CEBDMN O=[N+]([O-])c1cc(CN[C@@H]2COC[C@H]2C2CC2)cs1 ZINC000914433938 640404615 /nfs/dbraw/zinc/40/46/15/640404615.db2.gz YGDTYFYXZDYBPK-WDEREUQCSA-N 0 1 268.338 2.171 20 5 CEBDMN O=C([O-])C1([NH2+]Cc2cc(O)ccc2[N+](=O)[O-])CCCCC1 ZINC000844838251 640849540 /nfs/dbraw/zinc/84/95/40/640849540.db2.gz JGLYBQKBPXFOMV-UHFFFAOYSA-N 0 1 294.307 2.178 20 5 CEBDMN O=C(OCCOc1ccccc1)c1ccc([N+](=O)[O-])[nH]1 ZINC000918489268 640961386 /nfs/dbraw/zinc/96/13/86/640961386.db2.gz HMAAMKHBINBUBO-UHFFFAOYSA-N 0 1 276.248 2.159 20 5 CEBDMN C[C@H]1C[C@H](OC(=O)c2ccc([N+](=O)[O-])[nH]2)CC(C)(C)C1=O ZINC000847933570 641839408 /nfs/dbraw/zinc/83/94/08/641839408.db2.gz VHPYSQYSGAPMSC-IUCAKERBSA-N 0 1 294.307 2.474 20 5 CEBDMN CCC(=O)NC1CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC001002190915 642758989 /nfs/dbraw/zinc/75/89/89/642758989.db2.gz DAPIZGHEXHVTCW-UHFFFAOYSA-N 0 1 291.351 2.085 20 5 CEBDMN O=[N+]([O-])c1ccc(CN2CCC[C@H]2CCO)cc1F ZINC000311362501 642827404 /nfs/dbraw/zinc/82/74/04/642827404.db2.gz RAYMKHDNXJYSKZ-NSHDSACASA-N 0 1 268.288 2.081 20 5 CEBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC2(CCCC2)[C@H]1c1ccco1 ZINC000855486304 644367327 /nfs/dbraw/zinc/36/73/27/644367327.db2.gz LEUUZWZOPALPOL-NQBHXWOUSA-N 0 1 290.319 2.389 20 5 CEBDMN O=C([C@@H]1CC1[N+](=O)[O-])N(Cc1ccccc1F)CC1CC1 ZINC000855881782 644516694 /nfs/dbraw/zinc/51/66/94/644516694.db2.gz FYWXYNANXXRDCE-TZMCWYRMSA-N 0 1 292.310 2.230 20 5 CEBDMN CCC[C@]1(C)CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839695083 644776244 /nfs/dbraw/zinc/77/62/44/644776244.db2.gz XHWXBOKAPSPNPW-NQBHXWOUSA-N 0 1 254.330 2.080 20 5 CEBDMN C[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])C(C)(C)c1ccccc1 ZINC000839698007 644777010 /nfs/dbraw/zinc/77/70/10/644777010.db2.gz ACFGCNQIGSETLL-RAIGVLPGSA-N 0 1 276.336 2.134 20 5 CEBDMN C[C@@H]1[C@@H](c2ccccc2)CCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839699192 644777222 /nfs/dbraw/zinc/77/72/22/644777222.db2.gz JYAWRGOBDMVRQL-YXCITZCRSA-N 0 1 274.320 2.056 20 5 CEBDMN Cc1ccc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1OC(F)F ZINC000839684602 644784294 /nfs/dbraw/zinc/78/42/94/644784294.db2.gz XMNTUUYNGNIHMV-RKDXNWHRSA-N 0 1 286.234 2.200 20 5 CEBDMN C[C@H](CCNC(=O)[C@@H]1CC1[N+](=O)[O-])CC(C)(C)C ZINC000839734599 644785426 /nfs/dbraw/zinc/78/54/26/644785426.db2.gz SUECIFCPGJQFAM-GMTAPVOTSA-N 0 1 256.346 2.230 20 5 CEBDMN CN(Cc1ccc(Cl)c(F)c1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839716190 644790737 /nfs/dbraw/zinc/79/07/37/644790737.db2.gz MWWPCALLSGVCGL-LDYMZIIASA-N 0 1 286.690 2.103 20 5 CEBDMN C[C@H]1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC12CCCCC2 ZINC000839724936 644793537 /nfs/dbraw/zinc/79/35/37/644793537.db2.gz KKJFSRSELPFMST-YNEHKIRRSA-N 0 1 280.368 2.471 20 5 CEBDMN C[C@H]1C[C@H](C(C)(C)C)CCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839768319 644799136 /nfs/dbraw/zinc/79/91/36/644799136.db2.gz BYKGOYGSTLTKEJ-IRCOFANPSA-N 0 1 268.357 2.325 20 5 CEBDMN C[C@H]1CN(Cc2cc(Cl)ccc2[N+](=O)[O-])CCN1C ZINC000761076661 645232168 /nfs/dbraw/zinc/23/21/68/645232168.db2.gz KBNYURPHPJZERC-JTQLQIEISA-N 0 1 283.759 2.384 20 5 CEBDMN Cc1c(CN2CCN(C)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000761080747 645233759 /nfs/dbraw/zinc/23/37/59/645233759.db2.gz XUGNMCQMKRTOPH-LLVKDONJSA-N 0 1 263.341 2.039 20 5 CEBDMN CCC(C)(C)[C@@H](O)C(=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000859767123 645597437 /nfs/dbraw/zinc/59/74/37/645597437.db2.gz SCUGQNHCGXYRBN-LBPRGKRZSA-N 0 1 297.307 2.141 20 5 CEBDMN C[C@H](CN(C)C(=O)[C@@H]1CC1[N+](=O)[O-])C1CCCCC1 ZINC000863046010 646622519 /nfs/dbraw/zinc/62/25/19/646622519.db2.gz GUKZIDDKCTWGQZ-RAIGVLPGSA-N 0 1 268.357 2.326 20 5 CEBDMN O=C(NCc1ccnc(-c2ccccc2)c1)[C@@H]1CC1[N+](=O)[O-] ZINC000863499379 646744213 /nfs/dbraw/zinc/74/42/13/646744213.db2.gz XQJSQRWRVXZQKH-UKRRQHHQSA-N 0 1 297.314 2.030 20 5 CEBDMN CC(C)(NC(=O)c1n[nH]cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000774292004 646830431 /nfs/dbraw/zinc/83/04/31/646830431.db2.gz ICUYOFGBFXYUNS-UHFFFAOYSA-N 0 1 292.270 2.122 20 5 CEBDMN CC[C@H]1CN(Cc2ccc([N+](=O)[O-])c(Cl)c2)C[C@@H]1O ZINC000783579733 647731881 /nfs/dbraw/zinc/73/18/81/647731881.db2.gz IADGKCPHRWWYFI-GWCFXTLKSA-N 0 1 284.743 2.451 20 5 CEBDMN C[C@@H]1CCN(Cc2ccc([N+](=O)[O-])c(Cl)c2)[C@H]1CO ZINC000785984657 647975681 /nfs/dbraw/zinc/97/56/81/647975681.db2.gz RBCNPTPVHFNWGL-RNCFNFMXSA-N 0 1 284.743 2.451 20 5 CEBDMN C[C@@H]1CCC[C@@H]1NC(=O)[C@@](C)(N)c1cccc([N+](=O)[O-])c1 ZINC000867956615 648001487 /nfs/dbraw/zinc/00/14/87/648001487.db2.gz SDDOCIDSSUTYFP-DGFSRKRXSA-N 0 1 291.351 2.074 20 5 CEBDMN O=[N+]([O-])CCN(Cc1ccc(F)cc1)CC1CC1 ZINC000791052108 648476429 /nfs/dbraw/zinc/47/64/29/648476429.db2.gz LJBWVBNOAVLFFA-UHFFFAOYSA-N 0 1 252.289 2.314 20 5 CEBDMN C[C@@H](NCCCCO)c1c(F)cccc1[N+](=O)[O-] ZINC000872066686 649260717 /nfs/dbraw/zinc/26/07/17/649260717.db2.gz JTCZBRNCVXROLF-SECBINFHSA-N 0 1 256.277 2.157 20 5 CEBDMN C[C@H](NCC[C@H](O)C(F)F)c1c(F)cccc1[N+](=O)[O-] ZINC000872090361 649270618 /nfs/dbraw/zinc/27/06/18/649270618.db2.gz BOWTWYAWKNKJEC-XVKPBYJWSA-N 0 1 292.257 2.401 20 5 CEBDMN C[C@@H]1c2sccc2CCN1CCn1cc([N+](=O)[O-])cn1 ZINC000880376524 651432775 /nfs/dbraw/zinc/43/27/75/651432775.db2.gz IJEQCWLKANOBOR-SNVBAGLBSA-N 0 1 292.364 2.472 20 5 CEBDMN CC[C@H](C)N1CCN(c2ccnc(F)c2[N+](=O)[O-])CC1 ZINC000882428710 652067236 /nfs/dbraw/zinc/06/72/36/652067236.db2.gz YAYJCMSNAOMFLX-JTQLQIEISA-N 0 1 282.319 2.049 20 5 CEBDMN CC/C(C)=C\C(=O)NCCNCc1ccccc1[N+](=O)[O-] ZINC001126752259 806516629 /nfs/dbraw/zinc/51/66/29/806516629.db2.gz OEYFPYAZIANLAI-BENRWUELSA-N 0 1 291.351 2.157 20 5 CEBDMN CC(C)[C@H](N)c1noc(-c2ccc(F)cc2[N+](=O)[O-])n1 ZINC000159933637 806843515 /nfs/dbraw/zinc/84/35/15/806843515.db2.gz FHLWYZVFWKEOOM-JTQLQIEISA-N 0 1 280.259 2.440 20 5 CEBDMN CC(=Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nnc(C)[nH]1 ZINC000588445386 802963322 /nfs/dbraw/zinc/96/33/22/802963322.db2.gz WPKOHXDGYQJQPM-FPLPWBNLSA-N 0 1 287.279 2.063 20 5 CEBDMN CC(=Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nc(C)n[nH]1 ZINC000588445386 802963325 /nfs/dbraw/zinc/96/33/25/802963325.db2.gz WPKOHXDGYQJQPM-FPLPWBNLSA-N 0 1 287.279 2.063 20 5 CEBDMN O=[N+]([O-])c1cccc(-c2noc(CNCC3CC3)n2)c1 ZINC000036884666 814943416 /nfs/dbraw/zinc/94/34/16/814943416.db2.gz GXSWDSZSDXYPGO-UHFFFAOYSA-N 0 1 274.280 2.144 20 5 CEBDMN O=C(OCc1cc(O)ccc1[N+](=O)[O-])C1(CF)CCC1 ZINC001118198077 814993055 /nfs/dbraw/zinc/99/30/55/814993055.db2.gz SCIDXUWEIMETIM-UHFFFAOYSA-N 0 1 283.255 2.483 20 5 CEBDMN O=C(NCCNCc1csc([N+](=O)[O-])c1)C1CCCC1 ZINC001122477142 815415927 /nfs/dbraw/zinc/41/59/27/815415927.db2.gz ROMGENAAEMKFAK-UHFFFAOYSA-N 0 1 297.380 2.052 20 5 CEBDMN C[C@@H]1[C@H](C)N(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CCN1C ZINC000771286893 811954332 /nfs/dbraw/zinc/95/43/32/811954332.db2.gz HGUCAGLZEFNSGR-ZJUUUORDSA-N 0 1 294.311 2.032 20 5 CEBDMN O=[N+]([O-])c1cc(NC[C@H]2COCCN2)cc2ccccc21 ZINC001170047727 812003106 /nfs/dbraw/zinc/00/31/06/812003106.db2.gz RETAFQHRZJEIAM-ZDUSSCGKSA-N 0 1 287.319 2.148 20 5 CEBDMN COc1ccc(C[C@H](C)N(C)CCF)c([N+](=O)[O-])c1 ZINC001170356067 812392312 /nfs/dbraw/zinc/39/23/12/812392312.db2.gz VWKNBUILQOSZNH-JTQLQIEISA-N 0 1 270.304 2.436 20 5 CEBDMN O=[N+]([O-])c1cc2ccccc2nc1N1CCN2CC[C@H]2C1 ZINC001158435244 812706472 /nfs/dbraw/zinc/70/64/72/812706472.db2.gz WXBXTNCGLCQHKN-LBPRGKRZSA-N 0 1 284.319 2.037 20 5 CEBDMN C[C@]1(COC(=O)c2ccc([N+](=O)[O-])[nH]2)C[C@@]1(F)Cl ZINC000821865226 813712558 /nfs/dbraw/zinc/71/25/58/813712558.db2.gz IYRRPZYTSPZIRX-ZJUUUORDSA-N 0 1 276.651 2.394 20 5 CEBDMN CCN1CCN(c2ccc([N+](=O)[O-])cc2COC)C[C@H]1C ZINC000754078956 814117648 /nfs/dbraw/zinc/11/76/48/814117648.db2.gz CMNJIOQUQPDNQZ-GFCCVEGCSA-N 0 1 293.367 2.272 20 5 CEBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCC(=O)NCC(C)C ZINC001116484139 814857471 /nfs/dbraw/zinc/85/74/71/814857471.db2.gz WXFIJLYHOHOBJF-GFCCVEGCSA-N 0 1 293.367 2.326 20 5 CEBDMN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CCOC2(CC2)C1 ZINC001173231601 815633062 /nfs/dbraw/zinc/63/30/62/815633062.db2.gz NCHURMQMTYCGIF-GFCCVEGCSA-N 0 1 276.336 2.391 20 5 CEBDMN CC(C)CC[C@H]1CCCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839703753 816577089 /nfs/dbraw/zinc/57/70/89/816577089.db2.gz JPBHLGOFRIVDEP-JHJVBQTASA-N 0 1 268.357 2.469 20 5 CEBDMN O=[N+]([O-])c1ccc(-c2ccc(CNCc3c[nH]nn3)o2)cc1 ZINC001179233011 816843151 /nfs/dbraw/zinc/84/31/51/816843151.db2.gz YSSAZGWRJKSFTD-UHFFFAOYSA-N 0 1 299.290 2.263 20 5 CEBDMN Cc1[nH]ncc1CNC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000337528031 214140451 /nfs/dbraw/zinc/14/04/51/214140451.db2.gz CGIHOOQOBHJEIW-UHFFFAOYSA-N 0 1 289.295 2.256 20 5 CEBDMN C[C@H](NCc1cnn(C)c1)c1ccc([N+](=O)[O-])cc1 ZINC000041159059 362022399 /nfs/dbraw/zinc/02/23/99/362022399.db2.gz ZOGJJSHFBAJDQH-JTQLQIEISA-N 0 1 260.297 2.179 20 5 CEBDMN C[C@H]1CCc2c(=O)n(-c3cccc([N+](=O)[O-])c3)[nH]c21 ZINC000601930622 346928577 /nfs/dbraw/zinc/92/85/77/346928577.db2.gz BDSJWQOMTBYMLP-GZMMTYOYSA-N 0 1 259.265 2.344 20 5 CEBDMN Cc1[nH]ncc1CN(C)C(=O)c1cccc([N+](=O)[O-])c1C ZINC000602166550 346985885 /nfs/dbraw/zinc/98/58/85/346985885.db2.gz IGYFLJAJLSGGET-UHFFFAOYSA-N 0 1 288.307 2.207 20 5 CEBDMN CCCN(C)CC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000049480648 362366652 /nfs/dbraw/zinc/36/66/52/362366652.db2.gz ZPFVIJIIHFFTAX-UHFFFAOYSA-N 0 1 265.313 2.184 20 5 CEBDMN C[C@H](O)C[C@H]1CCC[N@H+]1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000093482062 344225505 /nfs/dbraw/zinc/22/55/05/344225505.db2.gz ZQABMDDBNVOEGN-CMPLNLGQSA-N 0 1 280.324 2.036 20 5 CEBDMN CCCCN(Cc1cn(C)nc1[N+](=O)[O-])C1CC1 ZINC000602437890 347032785 /nfs/dbraw/zinc/03/27/85/347032785.db2.gz FGJLAKWUJHTUNZ-UHFFFAOYSA-N 0 1 252.318 2.093 20 5 CEBDMN Cn1cc(CN2CCC[C@@H]3CCC[C@@H]32)c([N+](=O)[O-])n1 ZINC000602454618 347040723 /nfs/dbraw/zinc/04/07/23/347040723.db2.gz OKNNDTHRJKIWHH-JQWIXIFHSA-N 0 1 264.329 2.093 20 5 CEBDMN CCS[C@@H]1CCCCN(Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602470696 347045573 /nfs/dbraw/zinc/04/55/73/347045573.db2.gz CMABAHDVPHIXMK-GFCCVEGCSA-N 0 1 298.412 2.436 20 5 CEBDMN CC(=O)c1ccc(NCc2cn[nH]c2C)c([N+](=O)[O-])c1 ZINC000142661778 344403825 /nfs/dbraw/zinc/40/38/25/344403825.db2.gz GSCYNONSCSHUAE-UHFFFAOYSA-N 0 1 274.280 2.441 20 5 CEBDMN CCOCCCNCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602502762 347059275 /nfs/dbraw/zinc/05/92/75/347059275.db2.gz NFGMUCZWELTSKO-UHFFFAOYSA-N 0 1 279.296 2.252 20 5 CEBDMN CN(Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)CC1CC1 ZINC000052128228 362467344 /nfs/dbraw/zinc/46/73/44/362467344.db2.gz LGSUJWKNZYSVIW-UHFFFAOYSA-N 0 1 288.307 2.487 20 5 CEBDMN CN(Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)CC1CC1 ZINC000053185650 362485152 /nfs/dbraw/zinc/48/51/52/362485152.db2.gz FUOSFKMCFBRKQG-UHFFFAOYSA-N 0 1 288.307 2.487 20 5 CEBDMN C[C@@H]1C[C@H](NCc2ccc([N+](=O)[O-])cc2F)CO1 ZINC000402266884 344872229 /nfs/dbraw/zinc/87/22/29/344872229.db2.gz IKRZJYKFIDMAOE-SCZZXKLOSA-N 0 1 254.261 2.001 20 5 CEBDMN CN1CCN(c2ccc(C(F)(F)F)c([N+](=O)[O-])c2)CC1 ZINC000589101972 345065655 /nfs/dbraw/zinc/06/56/55/345065655.db2.gz QQKOTRPWOBWGCP-UHFFFAOYSA-N 0 1 289.257 2.365 20 5 CEBDMN CC/C=C/CNCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000590658984 345156874 /nfs/dbraw/zinc/15/68/74/345156874.db2.gz YJJLKTGORFKDPD-ONEGZZNKSA-N 0 1 278.308 2.422 20 5 CEBDMN C[C@@H]1[C@H](O)CCN1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000590661458 345157145 /nfs/dbraw/zinc/15/71/45/345157145.db2.gz ROLKFXMTQPMLCM-CAMLPZEUSA-N 0 1 262.309 2.063 20 5 CEBDMN O=[N+]([O-])c1ccc([O-])cc1C[NH+]1CCC(C2(O)CC2)CC1 ZINC000593044415 345427991 /nfs/dbraw/zinc/42/79/91/345427991.db2.gz HLEFYCWAVJORQV-UHFFFAOYSA-N 0 1 292.335 2.037 20 5 CEBDMN Cc1c(C[N@H+]2[C@H](C)CC[C@@H]2C(=O)[O-])cccc1[N+](=O)[O-] ZINC000593290504 345463231 /nfs/dbraw/zinc/46/32/31/345463231.db2.gz KPPAEOVHBZMOGA-NOZJJQNGSA-N 0 1 278.308 2.341 20 5 CEBDMN O=C([O-])CC[N@H+](Cc1csc([N+](=O)[O-])c1)CC1CC1 ZINC000593743955 345531514 /nfs/dbraw/zinc/53/15/14/345531514.db2.gz KFOPLKBIKXTGSS-UHFFFAOYSA-N 0 1 284.337 2.343 20 5 CEBDMN CCc1[nH]nc(C(=O)N2CCC23CCCC3)c1[N+](=O)[O-] ZINC000593756900 345533945 /nfs/dbraw/zinc/53/39/45/345533945.db2.gz ITAQGJVCUSHQFX-UHFFFAOYSA-N 0 1 278.312 2.039 20 5 CEBDMN O=[N+]([O-])c1ccsc1NCc1n[nH]c([C@H]2CCCO2)n1 ZINC000594589780 345652692 /nfs/dbraw/zinc/65/26/92/345652692.db2.gz OKCOPJHCMJYPLK-MRVPVSSYSA-N 0 1 295.324 2.238 20 5 CEBDMN O=[N+]([O-])c1ccc(CNCc2ccnn2CC2CC2)cc1 ZINC000594925894 345704932 /nfs/dbraw/zinc/70/49/32/345704932.db2.gz PULXWXLQMFQXPM-UHFFFAOYSA-N 0 1 286.335 2.491 20 5 CEBDMN Cc1noc(CN[C@@H]2CCC[C@@H]3C[C@@H]32)c1[N+](=O)[O-] ZINC000595537638 345806003 /nfs/dbraw/zinc/80/60/03/345806003.db2.gz DRVBVLAFQUDRDU-KXUCPTDWSA-N 0 1 251.286 2.169 20 5 CEBDMN Cc1noc(CN2CC3(C[C@H]2C)CCOCC3)c1[N+](=O)[O-] ZINC000595556223 345812524 /nfs/dbraw/zinc/81/25/24/345812524.db2.gz AVFOTINIKOTLCY-SNVBAGLBSA-N 0 1 295.339 2.282 20 5 CEBDMN C[C@@]1(C2CC2)CN(Cc2cc(O)ccc2[N+](=O)[O-])CCO1 ZINC000595624616 345831178 /nfs/dbraw/zinc/83/11/78/345831178.db2.gz DTLUNPSKSIHZMW-HNNXBMFYSA-N 0 1 292.335 2.301 20 5 CEBDMN O=[N+]([O-])c1cc(F)ccc1CN1CC[C@H]2COC[C@H]2C1 ZINC000595827861 345887428 /nfs/dbraw/zinc/88/74/28/345887428.db2.gz SUIOJAHTTFNZKR-NWDGAFQWSA-N 0 1 280.299 2.202 20 5 CEBDMN C[C@@]12COC[C@H]1CN(Cc1ccc(F)cc1[N+](=O)[O-])C2 ZINC000595767767 345871810 /nfs/dbraw/zinc/87/18/10/345871810.db2.gz OJOWURIWQOJOMY-BXUZGUMPSA-N 0 1 280.299 2.202 20 5 CEBDMN O=[N+]([O-])c1cccc(F)c1CN[C@@H]1C[C@@H](O)C12CCC2 ZINC000595777661 345874365 /nfs/dbraw/zinc/87/43/65/345874365.db2.gz IVSURCFISSLCOJ-CHWSQXEVSA-N 0 1 280.299 2.127 20 5 CEBDMN Cc1cc(NCCCc2nc[nH]n2)c([N+](=O)[O-])s1 ZINC000596215337 345971861 /nfs/dbraw/zinc/97/18/61/345971861.db2.gz BKQMTVICHFXHRQ-UHFFFAOYSA-N 0 1 267.314 2.128 20 5 CEBDMN O=[N+]([O-])c1ccccc1CN[C@@H]1CO[C@@H](C2CC2)C1 ZINC000597047900 346120225 /nfs/dbraw/zinc/12/02/25/346120225.db2.gz RXMWQVVWTWJIRA-GXTWGEPZSA-N 0 1 262.309 2.252 20 5 CEBDMN O=C(NCc1ccccc1[N+](=O)[O-])c1ccc(F)cc1O ZINC000179000355 232385854 /nfs/dbraw/zinc/38/58/54/232385854.db2.gz ILQDXQQFQMGOCO-UHFFFAOYSA-N 0 1 290.250 2.370 20 5 CEBDMN CCCN1CC[C@H](NC(=O)c2cc([N+](=O)[O-])c(C)s2)C1 ZINC000598341912 346332076 /nfs/dbraw/zinc/33/20/76/346332076.db2.gz IEQPBOKDTGBTOS-JTQLQIEISA-N 0 1 297.380 2.179 20 5 CEBDMN C[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000062876889 362727563 /nfs/dbraw/zinc/72/75/63/362727563.db2.gz VXLLIUBEYGOPCG-CQSZACIVSA-N 0 1 278.308 2.282 20 5 CEBDMN C[C@@]1(C(=O)[O-])CCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000062875836 362727736 /nfs/dbraw/zinc/72/77/36/362727736.db2.gz LBSBDKQHUHXWFS-OAHLLOKOSA-N 0 1 292.335 2.324 20 5 CEBDMN O=C(NCC[C@H]1CC1(F)F)c1cc(O)cc([N+](=O)[O-])c1 ZINC000598785019 346420087 /nfs/dbraw/zinc/42/00/87/346420087.db2.gz WGNYLTQWKJGWDN-QMMMGPOBSA-N 0 1 286.234 2.076 20 5 CEBDMN O=[N+]([O-])c1cnc2ccccc2c1N1CC[N@H+]2CC[C@H]1C2 ZINC000599084193 346458017 /nfs/dbraw/zinc/45/80/17/346458017.db2.gz UHGJWAYLZDOXAG-NSHDSACASA-N 0 1 284.319 2.037 20 5 CEBDMN C[C@H]1CC[C@]2(CCN(Cc3cn(C)nc3[N+](=O)[O-])C2)C1 ZINC000602596135 347093111 /nfs/dbraw/zinc/09/31/11/347093111.db2.gz HOJVBYFLNDGTTA-FZMZJTMJSA-N 0 1 278.356 2.340 20 5 CEBDMN CC(=O)c1ccc(N(C)CCN2CCCC2)c([N+](=O)[O-])c1 ZINC000063052156 362746704 /nfs/dbraw/zinc/74/67/04/362746704.db2.gz GSKGQVWFIPBNLP-UHFFFAOYSA-N 0 1 291.351 2.329 20 5 CEBDMN O=[N+]([O-])c1cccc(F)c1CN1CCN(CCCF)CC1 ZINC000599672855 346560559 /nfs/dbraw/zinc/56/05/59/346560559.db2.gz XEKOULGJYKXDPK-UHFFFAOYSA-N 0 1 299.321 2.211 20 5 CEBDMN O=[N+]([O-])c1cc(F)ccc1CN1CC[C@@H]2CC[C@@H](O)[C@@H]21 ZINC000599683468 346564195 /nfs/dbraw/zinc/56/41/95/346564195.db2.gz JSXWKPMRDIMNMC-CUOATXAZSA-N 0 1 280.299 2.079 20 5 CEBDMN C[C@H](CCNC(=O)c1n[nH]cc1[N+](=O)[O-])c1ccccc1 ZINC000270725970 190788080 /nfs/dbraw/zinc/78/80/80/190788080.db2.gz SOFOHPASVLLAKC-SNVBAGLBSA-N 0 1 288.307 2.242 20 5 CEBDMN CC(C)[C@@H]1CNCCN1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000599605185 346545230 /nfs/dbraw/zinc/54/52/30/346545230.db2.gz VDQKHSLMSQEMJL-ZDUSSCGKSA-N 0 1 292.339 2.057 20 5 CEBDMN CCC[C@@H](CNC(=O)c1cc(O)cc([N+](=O)[O-])c1)OCC ZINC000600175061 346615313 /nfs/dbraw/zinc/61/53/13/346615313.db2.gz OKAFYRGJRCAXDQ-ZDUSSCGKSA-N 0 1 296.323 2.235 20 5 CEBDMN COCC1(NCc2nc3cc([N+](=O)[O-])ccc3o2)CCC1 ZINC000602650338 347122968 /nfs/dbraw/zinc/12/29/68/347122968.db2.gz FPQLBKIAIMAZNQ-UHFFFAOYSA-N 0 1 291.307 2.395 20 5 CEBDMN C[C@H]1CCC[C@H](C)N1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602776042 347193593 /nfs/dbraw/zinc/19/35/93/347193593.db2.gz OHNVRQYKDMTMFL-UWVGGRQHSA-N 0 1 252.318 2.091 20 5 CEBDMN CC(C)(C)c1cn(Cc2cc(O)ccc2[N+](=O)[O-])nn1 ZINC000603227699 347315482 /nfs/dbraw/zinc/31/54/82/347315482.db2.gz WFGAUSGAYGXSNM-UHFFFAOYSA-N 0 1 276.296 2.238 20 5 CEBDMN C[C@H](N(C)Cc1c([N+](=O)[O-])ncn1C)C(C)(C)C ZINC000610481343 347683668 /nfs/dbraw/zinc/68/36/68/347683668.db2.gz CTVNKPWOVJWSLG-VIFPVBQESA-N 0 1 254.334 2.195 20 5 CEBDMN Cc1ccc(CN(CCn2ccc([N+](=O)[O-])n2)C2CC2)o1 ZINC000610484829 347684433 /nfs/dbraw/zinc/68/44/33/347684433.db2.gz BOFQFDPPUYACNX-UHFFFAOYSA-N 0 1 290.323 2.357 20 5 CEBDMN O=[N+]([O-])c1ccn(CCN2CCCc3sccc3C2)n1 ZINC000610485062 347684462 /nfs/dbraw/zinc/68/44/62/347684462.db2.gz JGOCMOMYFUGJTH-UHFFFAOYSA-N 0 1 292.364 2.301 20 5 CEBDMN COC[C@@H]1CCCN1Cc1cccc([N+](=O)[O-])c1 ZINC000610605099 347695386 /nfs/dbraw/zinc/69/53/86/347695386.db2.gz KIEWHXILTDAXEJ-ZDUSSCGKSA-N 0 1 250.298 2.206 20 5 CEBDMN CCN1CCN(c2cc(OC)ccc2[N+](=O)[O-])C[C@H]1C ZINC000611084696 347737915 /nfs/dbraw/zinc/73/79/15/347737915.db2.gz KTRKZTCRZXCNFJ-LLVKDONJSA-N 0 1 279.340 2.134 20 5 CEBDMN C[C@@H]1CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C[C@@H]1F ZINC000611559628 347794840 /nfs/dbraw/zinc/79/48/40/347794840.db2.gz SYRXEFNAMZKHFH-PELKAZGASA-N 0 1 282.271 2.121 20 5 CEBDMN CCN1CCN(c2nc(C)cc(C)c2[N+](=O)[O-])C[C@@H]1C ZINC000611617397 347799616 /nfs/dbraw/zinc/79/96/16/347799616.db2.gz MYVVHCBBXPQLKD-LBPRGKRZSA-N 0 1 278.356 2.137 20 5 CEBDMN C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)CCCC(=O)[O-] ZINC000086802379 179337311 /nfs/dbraw/zinc/33/73/11/179337311.db2.gz DDEGUFPYPKOCJG-SNVBAGLBSA-N 0 1 266.297 2.452 20 5 CEBDMN C[C@H]1CCC[C@@H]1NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000104616481 186010175 /nfs/dbraw/zinc/01/01/75/186010175.db2.gz LAUPMYQPSSSFJE-KWQFWETISA-N 0 1 288.307 2.390 20 5 CEBDMN C[C@@H](C[NH2+]Cc1csc([N+](=O)[O-])c1)N(C)C1CC1 ZINC000105488321 186060067 /nfs/dbraw/zinc/06/00/67/186060067.db2.gz GAXVQPQYHJRZIN-VIFPVBQESA-N 0 1 269.370 2.229 20 5 CEBDMN CC(C)N(C)CC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000352178157 219346960 /nfs/dbraw/zinc/34/69/60/219346960.db2.gz KGZIKMGCFSFHJH-UHFFFAOYSA-N 0 1 269.276 2.013 20 5 CEBDMN CCN(Cc1ccc(Cl)cc1[N+](=O)[O-])C[C@@H](C)O ZINC000352222683 219369084 /nfs/dbraw/zinc/36/90/84/219369084.db2.gz SBGJOYDCEAJJHT-SECBINFHSA-N 0 1 272.732 2.451 20 5 CEBDMN CCN(CC)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000072590276 363148166 /nfs/dbraw/zinc/14/81/66/363148166.db2.gz UVBHPECGCZCIMX-SNVBAGLBSA-N 0 1 295.339 2.272 20 5 CEBDMN CCS[C@@H]1CCCC[C@H]1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000133913146 366267581 /nfs/dbraw/zinc/26/75/81/366267581.db2.gz XASKUYBTGIZIQY-PSASIEDQSA-N 0 1 298.368 2.112 20 5 CEBDMN CO[C@H]1CCCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000076343757 363538635 /nfs/dbraw/zinc/53/86/35/363538635.db2.gz ZIZJIKILOANMIV-LBPRGKRZSA-N 0 1 280.324 2.084 20 5 CEBDMN CCN1C(=O)N=NC1SCc1ccc(F)cc1[N+](=O)[O-] ZINC000577746738 366392583 /nfs/dbraw/zinc/39/25/83/366392583.db2.gz DVCSPSFTHUTILG-UHFFFAOYSA-N 0 1 298.299 2.343 20 5 CEBDMN Cc1ccc([N+](=O)[O-])c(N2C[C@@H](C)N(C)[C@@H](C)C2)c1 ZINC000338782429 366520704 /nfs/dbraw/zinc/52/07/04/366520704.db2.gz CPJIYOBTLJWRLB-TXEJJXNPSA-N 0 1 263.341 2.432 20 5 CEBDMN O=[N+]([O-])c1cc(Cl)ccc1NCCc1nc[nH]n1 ZINC000080590349 363672312 /nfs/dbraw/zinc/67/23/12/363672312.db2.gz XVVIBJVBNYPMHY-UHFFFAOYSA-N 0 1 267.676 2.021 20 5 CEBDMN CC(C)N1CC[C@@H](N[C@@H](C)c2cccc([N+](=O)[O-])c2)C1=O ZINC000081181401 363704329 /nfs/dbraw/zinc/70/43/29/363704329.db2.gz ZGQCPAVBEMFPRM-SMDDNHRTSA-N 0 1 291.351 2.255 20 5 CEBDMN CC[C@@H](C)NC(=O)CN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180427392 189254459 /nfs/dbraw/zinc/25/44/59/189254459.db2.gz NLIWOQSQKJZYPY-GHMZBOCLSA-N 0 1 279.340 2.160 20 5 CEBDMN O=[N+]([O-])c1ccc(CN[C@H]2CCCOC2)c(F)c1 ZINC000342327018 216312003 /nfs/dbraw/zinc/31/20/03/216312003.db2.gz URBDBYQQFHWPBX-JTQLQIEISA-N 0 1 254.261 2.003 20 5 CEBDMN COCCCOCCN(C)Cc1ccc([N+](=O)[O-])cc1C ZINC000183685844 189366170 /nfs/dbraw/zinc/36/61/70/189366170.db2.gz RGNNXQFRZCBGJX-UHFFFAOYSA-N 0 1 296.367 2.388 20 5 CEBDMN C[C@@H](N[C@H]1CC(=O)N(C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000090181200 364045946 /nfs/dbraw/zinc/04/59/46/364045946.db2.gz DQDSOIRQQOLBBI-PWSUYJOCSA-N 0 1 289.335 2.009 20 5 CEBDMN CC[C@@H]1CCCN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000340554378 366933076 /nfs/dbraw/zinc/93/30/76/366933076.db2.gz NTDYOBHMVOKLCL-SECBINFHSA-N 0 1 288.307 2.486 20 5 CEBDMN O=C([O-])[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000164618555 367289867 /nfs/dbraw/zinc/28/98/67/367289867.db2.gz OHBLPACWRDYHIO-JTQLQIEISA-N 0 1 282.271 2.031 20 5 CEBDMN C[C@@H](CN(C)C)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000168539866 367355665 /nfs/dbraw/zinc/35/56/65/367355665.db2.gz MNICIVRZTVWICB-VIFPVBQESA-N 0 1 271.748 2.288 20 5 CEBDMN O=C(N[C@@H]1C=CCCC1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000343764974 367993258 /nfs/dbraw/zinc/99/32/58/367993258.db2.gz AIYXHCDETWJRHM-SECBINFHSA-N 0 1 286.291 2.310 20 5 CEBDMN C[C@@H](c1ccco1)N(C)CCn1cc([N+](=O)[O-])cn1 ZINC000174835460 368071117 /nfs/dbraw/zinc/07/11/17/368071117.db2.gz XPQSXHBGZVWNQC-JTQLQIEISA-N 0 1 264.285 2.077 20 5 CEBDMN Cc1noc(C)c1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000345067899 368144635 /nfs/dbraw/zinc/14/46/35/368144635.db2.gz PWBLETAFPWRTGN-UHFFFAOYSA-N 0 1 297.292 2.000 20 5 CEBDMN COCCO[C@@H]1CCCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000179341987 368333113 /nfs/dbraw/zinc/33/31/13/368333113.db2.gz VUTRTPCZVMFIQI-CQSZACIVSA-N 0 1 294.351 2.222 20 5 CEBDMN COCCO[C@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000179340519 368333153 /nfs/dbraw/zinc/33/31/53/368333153.db2.gz BJAFIYRUGGMNJD-HNNXBMFYSA-N 0 1 294.351 2.222 20 5 CEBDMN CN(Cc1c([N+](=O)[O-])ncn1C)C[C@@H]1CC=CCC1 ZINC000330851339 203313205 /nfs/dbraw/zinc/31/32/05/203313205.db2.gz QCGXUCLYMFAHLY-LLVKDONJSA-N 0 1 264.329 2.116 20 5 CEBDMN COc1ccc(CN2CC[C@@H](C)[C@@H](OC)C2)cc1[N+](=O)[O-] ZINC000189350784 369502825 /nfs/dbraw/zinc/50/28/25/369502825.db2.gz CTGPPGLXAOKGBO-ABAIWWIYSA-N 0 1 294.351 2.460 20 5 CEBDMN C[C@H]1CCCN(CCNc2ncc([N+](=O)[O-])s2)C1 ZINC000190316792 369613014 /nfs/dbraw/zinc/61/30/14/369613014.db2.gz CIMDMXKNVRRCKZ-VIFPVBQESA-N 0 1 270.358 2.195 20 5 CEBDMN C[C@@H]1[C@H](C)N(C)CCN1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000351730205 369651532 /nfs/dbraw/zinc/65/15/32/369651532.db2.gz MONOYKLWMXQGOK-VHSXEESVSA-N 0 1 299.321 2.397 20 5 CEBDMN Cc1cccc(C(=O)Nc2ncccc2O)c1[N+](=O)[O-] ZINC000194833777 370078162 /nfs/dbraw/zinc/07/81/62/370078162.db2.gz PQJTUDGQHJMUDG-UHFFFAOYSA-N 0 1 273.248 2.256 20 5 CEBDMN COc1cc(NCc2cn[nH]c2C)c([N+](=O)[O-])cc1OC ZINC000213825334 370170568 /nfs/dbraw/zinc/17/05/68/370170568.db2.gz UISMXEFNXPSLSV-UHFFFAOYSA-N 0 1 292.295 2.256 20 5 CEBDMN C[C@@H]1CCC[C@H](N(C)Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000355550071 370596172 /nfs/dbraw/zinc/59/61/72/370596172.db2.gz FQXKWKLJUYTCAE-MNOVXSKESA-N 0 1 266.345 2.339 20 5 CEBDMN COC(=O)[C@@H]1CCN(Cc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000249056621 371287681 /nfs/dbraw/zinc/28/76/81/371287681.db2.gz IYPXUUXOZSYKCB-DGCLKSJQSA-N 0 1 292.335 2.226 20 5 CEBDMN O=[N+]([O-])c1cccnc1N[C@H]1CCCc2cn[nH]c21 ZINC000268897511 372278064 /nfs/dbraw/zinc/27/80/64/372278064.db2.gz ZHTOXEVECUAOLG-VIFPVBQESA-N 0 1 259.269 2.202 20 5 CEBDMN C[C@H]1CCCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000269104813 372342706 /nfs/dbraw/zinc/34/27/06/372342706.db2.gz AXMYOYJCRSTCJC-VIFPVBQESA-N 0 1 264.281 2.173 20 5 CEBDMN O=C(NC[C@@H]1CC=CCC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000269207094 372377602 /nfs/dbraw/zinc/37/76/02/372377602.db2.gz URLWRHIXHHCHQE-SNVBAGLBSA-N 0 1 276.292 2.387 20 5 CEBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1C[C@H](C)[C@H](C)C1 ZINC000362447564 372366532 /nfs/dbraw/zinc/36/65/32/372366532.db2.gz LJAZNDROBYBGRE-TXEJJXNPSA-N 0 1 291.351 2.430 20 5 CEBDMN CC1(C)CN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCS1 ZINC000269619409 372507905 /nfs/dbraw/zinc/50/79/05/372507905.db2.gz ADNVTYDEJGOQLH-CYBMUJFWSA-N 0 1 296.392 2.456 20 5 CEBDMN C[C@@H]1C[C@H](c2ccsc2)CN1C(=O)[C@H]1CC1[N+](=O)[O-] ZINC000364639694 372781537 /nfs/dbraw/zinc/78/15/37/372781537.db2.gz NISSDVAIRTVNSX-QTKMDUPCSA-N 0 1 280.349 2.118 20 5 CEBDMN O=C(N[C@H](c1ccccn1)C1CCCC1)[C@H]1CC1[N+](=O)[O-] ZINC000365584679 372898524 /nfs/dbraw/zinc/89/85/24/372898524.db2.gz MINYZWOAQOYEDF-UBHSHLNASA-N 0 1 289.335 2.094 20 5 CEBDMN CN(CCC1CC1)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272656692 373604843 /nfs/dbraw/zinc/60/48/43/373604843.db2.gz GJWRFENEEXPMKL-UHFFFAOYSA-N 0 1 264.281 2.173 20 5 CEBDMN O=C(NC1CC(c2cccc(Cl)c2)C1)[C@H]1CC1[N+](=O)[O-] ZINC000371000530 373770617 /nfs/dbraw/zinc/77/06/17/373770617.db2.gz QGTQKEPWROZIDB-DCPRQKDISA-N 0 1 294.738 2.367 20 5 CEBDMN C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000371923652 374005425 /nfs/dbraw/zinc/00/54/25/374005425.db2.gz JYAWRGOBDMVRQL-FMKGYKFTSA-N 0 1 274.320 2.056 20 5 CEBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCCC[C@@H]1Cc1ccccc1 ZINC000372949747 374227543 /nfs/dbraw/zinc/22/75/43/374227543.db2.gz PJEYMGCZGCLDQA-RBSFLKMASA-N 0 1 288.347 2.275 20 5 CEBDMN CCNC(=O)[C@@H](C)N[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000278204595 374751002 /nfs/dbraw/zinc/75/10/02/374751002.db2.gz HCBDDVLGJPMZFY-YGRLFVJLSA-N 0 1 291.351 2.086 20 5 CEBDMN Cc1csc([C@@H]2CCCCN2C(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC000377555860 374885036 /nfs/dbraw/zinc/88/50/36/374885036.db2.gz DXRVEHXXWJVZCV-VWYCJHECSA-N 0 1 295.364 2.170 20 5 CEBDMN CC1(C)CCCN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000408158434 375420279 /nfs/dbraw/zinc/42/02/79/375420279.db2.gz KPXALTMOZPBQQZ-UHFFFAOYSA-N 0 1 264.281 2.315 20 5 CEBDMN O=C(NC[C@H]1CCCCS1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000345997506 217775742 /nfs/dbraw/zinc/77/57/42/217775742.db2.gz VAJFECWTEGEGHO-GFCCVEGCSA-N 0 1 296.348 2.316 20 5 CEBDMN CCC[C@@H]1CNCCN1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000414657905 375904684 /nfs/dbraw/zinc/90/46/84/375904684.db2.gz KPZWMLMBPYMYRK-CYBMUJFWSA-N 0 1 292.339 2.201 20 5 CEBDMN C[C@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2F)[C@@H]1CO ZINC000305744349 376469623 /nfs/dbraw/zinc/46/96/23/376469623.db2.gz UNXSJHBZXZBHDB-IINYFYTJSA-N 0 1 282.315 2.327 20 5 CEBDMN COc1ccc([N+](=O)[O-])cc1CN1CCCC[C@@H]1[C@@H](C)O ZINC000264479333 190113065 /nfs/dbraw/zinc/11/30/65/190113065.db2.gz ZNDRCLFTWARLEE-BXUZGUMPSA-N 0 1 294.351 2.339 20 5 CEBDMN Cc1c(CNCc2ccc(C(N)=O)cc2)cccc1[N+](=O)[O-] ZINC000318447599 376813830 /nfs/dbraw/zinc/81/38/30/376813830.db2.gz BDNXZSLTCDHFAA-UHFFFAOYSA-N 0 1 299.330 2.292 20 5 CEBDMN C[C@@H](O)CNCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000290845106 376952102 /nfs/dbraw/zinc/95/21/02/376952102.db2.gz JFFOVYJJZITHJP-ZCFIWIBFSA-N 0 1 279.123 2.372 20 5 CEBDMN CC(C)c1[nH]nc(C(=O)N(C)C(C)(C)C)c1[N+](=O)[O-] ZINC000563197631 377121808 /nfs/dbraw/zinc/12/18/08/377121808.db2.gz MMHLCYDJQSZUNE-UHFFFAOYSA-N 0 1 268.317 2.312 20 5 CEBDMN CC[C@H]1CN(Cc2cc(O)ccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000330430088 377128383 /nfs/dbraw/zinc/12/83/83/377128383.db2.gz MHLDDGSTMPQVPX-MFKMUULPSA-N 0 1 280.324 2.300 20 5 CEBDMN CC[C@@]1(CO)CCC[N@@H+](Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000330456546 377142678 /nfs/dbraw/zinc/14/26/78/377142678.db2.gz PPSIZLUMBOWERJ-OAHLLOKOSA-N 0 1 294.351 2.285 20 5 CEBDMN CC1(C)CCCN(CCNC(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000330972106 377220312 /nfs/dbraw/zinc/22/03/12/377220312.db2.gz NCUVMJCQMFWVPJ-UHFFFAOYSA-N 0 1 295.339 2.040 20 5 CEBDMN CN(Cc1c([N+](=O)[O-])ncn1C)CC1CCCCC1 ZINC000331071965 377268384 /nfs/dbraw/zinc/26/83/84/377268384.db2.gz UEUXGLWCKKWNBX-UHFFFAOYSA-N 0 1 266.345 2.340 20 5 CEBDMN COc1cccc(N2C[C@@H](C)N(C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000292642425 377260581 /nfs/dbraw/zinc/26/05/81/377260581.db2.gz BCEULRWADWMWPH-PHIMTYICSA-N 0 1 279.340 2.132 20 5 CEBDMN Cc1ccc(CN2CC[C@H](O)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000292840857 377306900 /nfs/dbraw/zinc/30/69/00/377306900.db2.gz SCEAXFWBGRUHJD-AAEUAGOBSA-N 0 1 264.325 2.248 20 5 CEBDMN CCCc1[nH]nc(C(=O)N(C)[C@H]2CC2(C)C)c1[N+](=O)[O-] ZINC000331448771 377432926 /nfs/dbraw/zinc/43/29/26/377432926.db2.gz GJZWJXHHGNAIGS-VIFPVBQESA-N 0 1 280.328 2.141 20 5 CEBDMN Cc1[nH]nc(C(=O)N2CCC[C@H]2c2ccco2)c1[N+](=O)[O-] ZINC000331448016 377433938 /nfs/dbraw/zinc/43/39/38/377433938.db2.gz WYEBWVJQCLVISL-VIFPVBQESA-N 0 1 290.279 2.197 20 5 CEBDMN CCC[C@H](C(=O)[O-])[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000564803160 377459597 /nfs/dbraw/zinc/45/95/97/377459597.db2.gz PEQOQVBOHQJCRE-CYBMUJFWSA-N 0 1 280.324 2.322 20 5 CEBDMN Cc1[nH]nc(C(=O)N2CCCC[C@H]2C(C)C)c1[N+](=O)[O-] ZINC000265332590 190175114 /nfs/dbraw/zinc/17/51/14/190175114.db2.gz MWHPOZFFRPWIGJ-JTQLQIEISA-N 0 1 280.328 2.277 20 5 CEBDMN CCN1CCCN(c2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000265450048 190183477 /nfs/dbraw/zinc/18/34/77/190183477.db2.gz AQXKOFHSDIRAOT-UHFFFAOYSA-N 0 1 284.747 2.175 20 5 CEBDMN CCc1nc(CNCc2ccc([N+](=O)[O-])cc2Cl)n[nH]1 ZINC000294910209 249365217 /nfs/dbraw/zinc/36/52/17/249365217.db2.gz ANYZURLMVOKQMF-UHFFFAOYSA-N 0 1 295.730 2.219 20 5 CEBDMN O=[N+]([O-])c1cc(F)ccc1NCCN1C[C@H]2CC[C@@H](C1)O2 ZINC000450788364 378579940 /nfs/dbraw/zinc/57/99/40/378579940.db2.gz HHMDIDPYWPSFLZ-TXEJJXNPSA-N 0 1 295.314 2.009 20 5 CEBDMN Cc1[nH]nc(C(=O)N(C)[C@@H]2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC000299536707 379034624 /nfs/dbraw/zinc/03/46/24/379034624.db2.gz NHFNJZYGUUUXGU-PSASIEDQSA-N 0 1 280.328 2.277 20 5 CEBDMN Cc1[nH]nc(C(=O)N(C)[C@H]2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000299529253 379033361 /nfs/dbraw/zinc/03/33/61/379033361.db2.gz LHSABGCSXOWNCY-WPRPVWTQSA-N 0 1 280.328 2.277 20 5 CEBDMN C[C@@H]1CCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)[C@H]1C(=O)[O-] ZINC000300296856 379161839 /nfs/dbraw/zinc/16/18/39/379161839.db2.gz ZQKHGWXXZGJPRE-BXUZGUMPSA-N 0 1 292.335 2.322 20 5 CEBDMN COc1ccc(CN2[C@@H](CO)CCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000305269915 379701055 /nfs/dbraw/zinc/70/10/55/379701055.db2.gz XMBRIUYDOMAIEC-WCQYABFASA-N 0 1 294.351 2.339 20 5 CEBDMN C[C@@]1(CO)CCCN1Cc1ccc([N+](=O)[O-])cc1F ZINC000544758349 380359956 /nfs/dbraw/zinc/35/99/56/380359956.db2.gz BGJXZRYKTOIADS-ZDUSSCGKSA-N 0 1 268.288 2.081 20 5 CEBDMN CC1(CCNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000280038325 194678024 /nfs/dbraw/zinc/67/80/24/194678024.db2.gz ODUQNCGQDONSPV-UHFFFAOYSA-N 0 1 288.307 2.391 20 5 CEBDMN Cc1cnc(NCc2n[nH]c(C(C)(C)C)n2)c([N+](=O)[O-])c1 ZINC000413423690 394548399 /nfs/dbraw/zinc/54/83/99/394548399.db2.gz ZTWYISUSWDAWLO-UHFFFAOYSA-N 0 1 290.327 2.326 20 5 CEBDMN CCC[C@H](N[C@@H]1COC[C@@H]1OC)c1cccc([N+](=O)[O-])c1 ZINC000414174130 394722077 /nfs/dbraw/zinc/72/20/77/394722077.db2.gz ACSVQZHPQDTGHL-ZNMIVQPWSA-N 0 1 294.351 2.439 20 5 CEBDMN Cc1cnc(C(=O)N2CCc3c2cccc3[N+](=O)[O-])c(O)c1 ZINC000427458179 395113070 /nfs/dbraw/zinc/11/30/70/395113070.db2.gz WTGRCKMGDMIFIX-UHFFFAOYSA-N 0 1 299.286 2.207 20 5 CEBDMN CCc1[nH]nc(C(=O)N(C)[C@H]2CC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000444403493 395431060 /nfs/dbraw/zinc/43/10/60/395431060.db2.gz NOSWALMYAYNGRC-BDAKNGLRSA-N 0 1 280.328 2.141 20 5 CEBDMN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CC[C@](O)(C(F)F)C1 ZINC000451436941 395618369 /nfs/dbraw/zinc/61/83/69/395618369.db2.gz KZLPSCHHVJYEBG-TVQRCGJNSA-N 0 1 286.278 2.358 20 5 CEBDMN CCC[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])C1CCC1 ZINC000458336785 395644549 /nfs/dbraw/zinc/64/45/49/395644549.db2.gz QTUSEUCTUPRVLX-SECBINFHSA-N 0 1 266.301 2.017 20 5 CEBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCCC[C@@H]1c1ccccc1 ZINC000364000874 156058567 /nfs/dbraw/zinc/05/85/67/156058567.db2.gz KUVQWBDDKANGLR-MCIONIFRSA-N 0 1 274.320 2.405 20 5 CEBDMN Cc1cc(N2C[C@H]3[C@H](CO)[C@H]3C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000368297986 156320242 /nfs/dbraw/zinc/32/02/42/156320242.db2.gz AZHDOCWRLQPRSC-WDNDVIMCSA-N 0 1 299.330 2.126 20 5 CEBDMN O=[N+]([O-])c1ccccc1CN1CC([C@@H]2CCOC2)C1 ZINC000376020463 157177858 /nfs/dbraw/zinc/17/78/58/157177858.db2.gz GIGYOQIMMDSUIK-GFCCVEGCSA-N 0 1 262.309 2.063 20 5 CEBDMN C[C@@H]1Cc2ccccc2CN1CCn1cc([N+](=O)[O-])cn1 ZINC000174874717 165120473 /nfs/dbraw/zinc/12/04/73/165120473.db2.gz YCDJIWOGKBKVAZ-GFCCVEGCSA-N 0 1 286.335 2.238 20 5 CEBDMN CC[C@@H]1CC[C@@H](C)N1Cc1c([N+](=O)[O-])ncn1C ZINC000332687714 287101681 /nfs/dbraw/zinc/10/16/81/287101681.db2.gz UTKXYUVCYKQJRR-NXEZZACHSA-N 0 1 252.318 2.091 20 5 CEBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@@H]1c1ccsc1 ZINC000044539169 175200957 /nfs/dbraw/zinc/20/09/57/175200957.db2.gz PXGPFNGWOCCCJQ-MXWKQRLJSA-N 0 1 266.322 2.077 20 5 CEBDMN CCCc1[nH]nc(C(=O)N2CC(C)=C[C@H](C)C2)c1[N+](=O)[O-] ZINC000436001872 419410492 /nfs/dbraw/zinc/41/04/92/419410492.db2.gz ORUNCGWZKUYGGU-VIFPVBQESA-N 0 1 292.339 2.309 20 5 CEBDMN Cc1cc(N2CC[C@H](c3nc[nH]n3)C2)c(F)cc1[N+](=O)[O-] ZINC000425283077 271152637 /nfs/dbraw/zinc/15/26/37/271152637.db2.gz LRUBFJFZVSESHU-VIFPVBQESA-N 0 1 291.286 2.154 20 5 CEBDMN Cc1cccc([N+](=O)[O-])c1N1CC[C@@H](c2nc[nH]n2)C1 ZINC000425278685 271152917 /nfs/dbraw/zinc/15/29/17/271152917.db2.gz DXZXAXINKKZGQZ-SNVBAGLBSA-N 0 1 273.296 2.015 20 5 CEBDMN O=C(Nc1nc2ccc(F)cc2[nH]1)c1cc([N+](=O)[O-])c[nH]1 ZINC000428044699 271240698 /nfs/dbraw/zinc/24/06/98/271240698.db2.gz MUFYAKXHMUCUGU-UHFFFAOYSA-N 0 1 289.226 2.191 20 5 CEBDMN COc1cc([N+](=O)[O-])ccc1CN(C)C[C@H]1CCC[C@H]1O ZINC000430207695 271363196 /nfs/dbraw/zinc/36/31/96/271363196.db2.gz RIYPLCKAAXHACC-BXUZGUMPSA-N 0 1 294.351 2.196 20 5 CEBDMN CC1=C[C@@H](C)CN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000430284808 271371434 /nfs/dbraw/zinc/37/14/34/271371434.db2.gz NUTQPJMHMUHYFX-SNVBAGLBSA-N 0 1 289.335 2.092 20 5 CEBDMN O=[N+]([O-])c1cnc(N[C@@H]2CCc3[nH]cnc3C2)c(Cl)c1 ZINC000370859868 275041408 /nfs/dbraw/zinc/04/14/08/275041408.db2.gz GIZBADZRYJUMJI-SSDOTTSWSA-N 0 1 293.714 2.336 20 5 CEBDMN CCC[C@@H](C)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000298116440 276022116 /nfs/dbraw/zinc/02/21/16/276022116.db2.gz OSLXPPZBWNIDNR-GFCCVEGCSA-N 0 1 278.356 2.300 20 5 CEBDMN CCC[C@H]1CCCCN1Cc1c([N+](=O)[O-])ncn1C ZINC000330855374 276288687 /nfs/dbraw/zinc/28/86/87/276288687.db2.gz NIDXKRRGBAEIJT-NSHDSACASA-N 0 1 266.345 2.483 20 5 CEBDMN CC(C)c1[nH]nc(C(=O)N2CCC[C@@H]2C)c1[N+](=O)[O-] ZINC000269513662 278000045 /nfs/dbraw/zinc/00/00/45/278000045.db2.gz PCIUPPWCFSEJJA-QMMMGPOBSA-N 0 1 266.301 2.066 20 5 CEBDMN CC(C)c1[nH]nc(C(=O)N2C[C@@H](C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000269468926 278001358 /nfs/dbraw/zinc/00/13/58/278001358.db2.gz INLODYSWXJFHNN-RKDXNWHRSA-N 0 1 280.328 2.169 20 5 CEBDMN Cc1cc(N2CC[C@H](c3nc[nH]n3)C2)ccc1[N+](=O)[O-] ZINC000425290466 281186402 /nfs/dbraw/zinc/18/64/02/281186402.db2.gz XPKRUZSCCHGCNZ-JTQLQIEISA-N 0 1 273.296 2.015 20 5 CEBDMN CCCNC(=O)CN[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000158326154 289231644 /nfs/dbraw/zinc/23/16/44/289231644.db2.gz LSTQXFGIFXAUFG-NSHDSACASA-N 0 1 279.340 2.080 20 5 CEBDMN Cc1cc(N[C@H]2CO[C@@H](C)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000402029783 289289069 /nfs/dbraw/zinc/28/90/69/289289069.db2.gz IAUNPVBVYRZJMC-WDEREUQCSA-N 0 1 287.319 2.463 20 5 CEBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCC(=O)NCC1CC1 ZINC000540918116 298270794 /nfs/dbraw/zinc/27/07/94/298270794.db2.gz GIPPJZAOJFQLBP-NSHDSACASA-N 0 1 291.351 2.080 20 5 CEBDMN CC(C)(O)CCN1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000546611199 298352868 /nfs/dbraw/zinc/35/28/68/298352868.db2.gz DDENCCFVXNQACS-UHFFFAOYSA-N 0 1 264.325 2.114 20 5 CEBDMN C[C@@H]1CC[C@@H](C(=O)[O-])C[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000397007389 329319627 /nfs/dbraw/zinc/31/96/27/329319627.db2.gz LSJOUKBYOZJZIT-DGCLKSJQSA-N 0 1 292.335 2.322 20 5 CEBDMN COC(=O)C1CCN(Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000048331288 522915618 /nfs/dbraw/zinc/91/56/18/522915618.db2.gz QRJGEJATCQTWMS-UHFFFAOYSA-N 0 1 292.335 2.288 20 5 CEBDMN C[C@@H](NCc1cccc([N+](=O)[O-])c1)c1cnn(C)c1 ZINC000052926256 525535549 /nfs/dbraw/zinc/53/55/49/525535549.db2.gz FQDVIAWEHURWPM-SNVBAGLBSA-N 0 1 260.297 2.179 20 5 CEBDMN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCN(C)[C@H](C)C1 ZINC000761079327 574518547 /nfs/dbraw/zinc/51/85/47/574518547.db2.gz QSTIKJDZPZMIHY-NEPJUHHUSA-N 0 1 263.341 2.292 20 5 CEBDMN O=C(OCCOCc1ccccc1)c1ccc([N+](=O)[O-])[nH]1 ZINC000741123107 574977035 /nfs/dbraw/zinc/97/70/35/574977035.db2.gz GJMXKMUDHAQXCL-UHFFFAOYSA-N 0 1 290.275 2.297 20 5 CEBDMN CN(CC(=O)Nc1cccc([N+](=O)[O-])c1)C1CCC1 ZINC000744408981 575120974 /nfs/dbraw/zinc/12/09/74/575120974.db2.gz HYWFPOMPGVAXIF-UHFFFAOYSA-N 0 1 263.297 2.018 20 5 CEBDMN C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1C[C@H](C(=O)[O-])[C@H](C)C1 ZINC000226430530 601520756 /nfs/dbraw/zinc/52/07/56/601520756.db2.gz JANGLVJJJZFDCZ-FOGDFJRCSA-N 0 1 278.308 2.308 20 5 CEBDMN CC(C)C(=O)N[C@H]1C[C@@H](NCc2csc([N+](=O)[O-])c2)C1 ZINC001021846383 623544688 /nfs/dbraw/zinc/54/46/88/623544688.db2.gz UBFPHXLEJCRDBO-PHIMTYICSA-N 0 1 297.380 2.049 20 5 CEBDMN C[C@H]1OCC[C@@]1(C)NCc1cc(F)ccc1[N+](=O)[O-] ZINC000235607215 625672709 /nfs/dbraw/zinc/67/27/09/625672709.db2.gz NXAMTIWLQZOUON-NOZJJQNGSA-N 0 1 268.288 2.391 20 5 CEBDMN Cc1nn(C[N@@H+]2C[C@@H]3CCCC[C@@H]3C2)c(C)c1[N+](=O)[O-] ZINC000176195943 624171970 /nfs/dbraw/zinc/17/19/70/624171970.db2.gz QNVNDZPCUGXDOI-BETUJISGSA-N 0 1 278.356 2.488 20 5 CEBDMN Cc1nn(CN2C[C@@H]3CCCC[C@@H]3C2)c(C)c1[N+](=O)[O-] ZINC000176195943 624171971 /nfs/dbraw/zinc/17/19/71/624171971.db2.gz QNVNDZPCUGXDOI-BETUJISGSA-N 0 1 278.356 2.488 20 5 CEBDMN Cc1nn(CN2C[C@@H]3CCCC[C@H]3C2)c(C)c1[N+](=O)[O-] ZINC000176195976 624172065 /nfs/dbraw/zinc/17/20/65/624172065.db2.gz QNVNDZPCUGXDOI-STQMWFEESA-N 0 1 278.356 2.488 20 5 CEBDMN CNC(=O)[C@@H](C)CN(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000081554777 628179873 /nfs/dbraw/zinc/17/98/73/628179873.db2.gz QNLPPOKTCMVWBB-VIFPVBQESA-N 0 1 299.758 2.062 20 5 CEBDMN CC[C@@H](C(=O)N1CCc2cc(C)c([N+](=O)[O-])cc21)N(C)C ZINC000840409986 634637792 /nfs/dbraw/zinc/63/77/92/634637792.db2.gz WZXSBDYQQSGDSY-LBPRGKRZSA-N 0 1 291.351 2.133 20 5 CEBDMN O=C1CC[C@@H](CN(Cc2ccc([N+](=O)[O-])cc2)C2CC2)O1 ZINC000821402227 634711737 /nfs/dbraw/zinc/71/17/37/634711737.db2.gz OKDXMPMYAPWVPK-AWEZNQCLSA-N 0 1 290.319 2.265 20 5 CEBDMN C[C@H](CCOC(=O)[C@@H]1CC1[N+](=O)[O-])OCc1ccccc1 ZINC000840673336 629355506 /nfs/dbraw/zinc/35/55/06/629355506.db2.gz KVZAHCJPUNCXJY-MRVWCRGKSA-N 0 1 293.319 2.190 20 5 CEBDMN COCCCC[N@@H+](C)Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000894964163 629770954 /nfs/dbraw/zinc/77/09/54/629770954.db2.gz LNJBWQDAPVLSFM-UHFFFAOYSA-N 0 1 298.339 2.167 20 5 CEBDMN COCCCCN(C)Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000894964163 629770957 /nfs/dbraw/zinc/77/09/57/629770957.db2.gz LNJBWQDAPVLSFM-UHFFFAOYSA-N 0 1 298.339 2.167 20 5 CEBDMN CN1CC[C@H]1CNc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000895771486 630339854 /nfs/dbraw/zinc/33/98/54/630339854.db2.gz LWCFGLROFPPAAI-VIFPVBQESA-N 0 1 278.337 2.321 20 5 CEBDMN COC(=O)[C@@H]1CC[C@H](NCc2ccc([N+](=O)[O-])cc2F)C1 ZINC000896125361 630474148 /nfs/dbraw/zinc/47/41/48/630474148.db2.gz RAQHEACKSZNLOH-KOLCDFICSA-N 0 1 296.298 2.165 20 5 CEBDMN CO[C@]12CCC[C@@]1(NCc1cccc([N+](=O)[O-])c1)CCO2 ZINC000896415133 630558501 /nfs/dbraw/zinc/55/85/01/630558501.db2.gz IRWOCAVPCVNCRI-CABCVRRESA-N 0 1 292.335 2.370 20 5 CEBDMN CO[C@@H](C)CN[C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872064946 631245352 /nfs/dbraw/zinc/24/53/52/631245352.db2.gz PQUHAOUSZBZSSM-IUCAKERBSA-N 0 1 256.277 2.419 20 5 CEBDMN C[C@H]1CC(=O)c2c1c(F)ccc2OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000841019844 631795612 /nfs/dbraw/zinc/79/56/12/631795612.db2.gz LPOBHOCIRIMKTM-LKEWCRSYSA-N 0 1 293.250 2.086 20 5 CEBDMN Cc1nn(CN2CCC[C@H](C3CC3)C2)c(C)c1[N+](=O)[O-] ZINC000808226627 631938756 /nfs/dbraw/zinc/93/87/56/631938756.db2.gz GQBIJMOBNKFCHM-ZDUSSCGKSA-N 0 1 278.356 2.488 20 5 CEBDMN O=C([C@@H]1CC1[N+](=O)[O-])N(C1CC1)[C@H]1CCc2ccccc21 ZINC000840295392 632730417 /nfs/dbraw/zinc/73/04/17/632730417.db2.gz WUQAOBLMOOFXGX-QLFBSQMISA-N 0 1 286.331 2.330 20 5 CEBDMN Cc1ccnc(-c2cccc(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])c2)n1 ZINC000840354586 633882601 /nfs/dbraw/zinc/88/26/01/633882601.db2.gz NWDPJMYDHRQMPL-CHWSQXEVSA-N 0 1 298.302 2.056 20 5 CEBDMN Cc1nc([C@H]2CCN(c3ccc(C)cc3[N+](=O)[O-])C2)n[nH]1 ZINC000840377734 634113171 /nfs/dbraw/zinc/11/31/71/634113171.db2.gz GOEFDIHBHFZGPS-NSHDSACASA-N 0 1 287.323 2.324 20 5 CEBDMN Cc1nnc([C@H]2CCN(c3ccc(C)cc3[N+](=O)[O-])C2)[nH]1 ZINC000840377734 634113175 /nfs/dbraw/zinc/11/31/75/634113175.db2.gz GOEFDIHBHFZGPS-NSHDSACASA-N 0 1 287.323 2.324 20 5 CEBDMN O=C([O-])[C@@]1(F)CC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000901513772 634170357 /nfs/dbraw/zinc/17/03/57/634170357.db2.gz DPEKGLCMPMXDHO-LYKUJDHUSA-N 0 1 294.282 2.107 20 5 CEBDMN O=C([O-])[C@@]1(F)CC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000901513772 634170361 /nfs/dbraw/zinc/17/03/61/634170361.db2.gz DPEKGLCMPMXDHO-LYKUJDHUSA-N 0 1 294.282 2.107 20 5 CEBDMN COCC(COC)SCc1cc(O)ccc1[N+](=O)[O-] ZINC000901855475 634341335 /nfs/dbraw/zinc/34/13/35/634341335.db2.gz NCMUETAAKTVZAR-UHFFFAOYSA-N 0 1 287.337 2.195 20 5 CEBDMN Cc1c(NS(=O)(=O)CC2(F)CC2)cccc1[N+](=O)[O-] ZINC000903615851 635181559 /nfs/dbraw/zinc/18/15/59/635181559.db2.gz PNTOPGNVAXJPIL-UHFFFAOYSA-N 0 1 288.300 2.147 20 5 CEBDMN Cc1ccc(CNC(=O)[C@H]2CCCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000825648487 635685735 /nfs/dbraw/zinc/68/57/35/635685735.db2.gz SQLITPFPCJWTQW-CYBMUJFWSA-N 0 1 291.351 2.004 20 5 CEBDMN Cc1ccc(CNC(=O)[C@H]2CCCCN2C)cc1[N+](=O)[O-] ZINC000825648487 635685739 /nfs/dbraw/zinc/68/57/39/635685739.db2.gz SQLITPFPCJWTQW-CYBMUJFWSA-N 0 1 291.351 2.004 20 5 CEBDMN CC(C)NCc1cn([C@@H](C)c2cccc([N+](=O)[O-])c2)nn1 ZINC000905790124 636460449 /nfs/dbraw/zinc/46/04/49/636460449.db2.gz ZFYWOQKYECJWHW-NSHDSACASA-N 0 1 289.339 2.294 20 5 CEBDMN Cc1c(Cl)ccc2c1CN(C(=O)[C@@H]1CC1[N+](=O)[O-])CC2 ZINC000830894791 637192902 /nfs/dbraw/zinc/19/29/02/637192902.db2.gz RXXQHFWJXRUWHY-ZWNOBZJWSA-N 0 1 294.738 2.198 20 5 CEBDMN Cc1ccc([N+](=O)[O-])c(C)c1CN1CCN(C2CC2)CC1 ZINC000876566377 650334530 /nfs/dbraw/zinc/33/45/30/650334530.db2.gz IIWJDHFRMPPQLT-UHFFFAOYSA-N 0 1 289.379 2.492 20 5 CEBDMN Cc1cc(N[C@@H]2CC[N@@H+](C)[C@H]2C)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000910355936 638025952 /nfs/dbraw/zinc/02/59/52/638025952.db2.gz PJULIGVWOGUKCJ-GXSJLCMTSA-N 0 1 293.323 2.106 20 5 CEBDMN O=C(OCCOCC1CCCC1)c1ccc([N+](=O)[O-])[nH]1 ZINC000835982616 638475502 /nfs/dbraw/zinc/47/55/02/638475502.db2.gz ZLYXHSNEZWGJJO-UHFFFAOYSA-N 0 1 282.296 2.287 20 5 CEBDMN CCCCC[C@H](OC(=O)c1ccc([N+](=O)[O-])[nH]1)C(=O)OC ZINC000836028427 638500891 /nfs/dbraw/zinc/50/08/91/638500891.db2.gz BTQGQPQDXYXKCT-JTQLQIEISA-N 0 1 298.295 2.202 20 5 CEBDMN CC[C@H]1CC[C@H](C(=O)OCc2cc(O)ccc2[N+](=O)[O-])O1 ZINC000837574512 639289129 /nfs/dbraw/zinc/28/91/29/639289129.db2.gz QPHBXDOHOWNLNV-WCQYABFASA-N 0 1 295.291 2.301 20 5 CEBDMN CS[C@@H](C)CC(=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837599264 639303251 /nfs/dbraw/zinc/30/32/51/639303251.db2.gz AVPWSQRQRZPWSN-QMMMGPOBSA-N 0 1 285.321 2.485 20 5 CEBDMN CCC[C@H](OC)C(=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837795958 639388171 /nfs/dbraw/zinc/38/81/71/639388171.db2.gz QCGVXMOZUSGIFR-LBPRGKRZSA-N 0 1 283.280 2.159 20 5 CEBDMN Cc1cccc(Cl)c1COC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840674533 639521685 /nfs/dbraw/zinc/52/16/85/639521685.db2.gz MCDCUQWWIGKIDU-LDYMZIIASA-N 0 1 269.684 2.357 20 5 CEBDMN O=C(Oc1ccc(Cl)cc1F)[C@@H]1CC1[N+](=O)[O-] ZINC000841013285 639617564 /nfs/dbraw/zinc/61/75/64/639617564.db2.gz CNTHETCSSQDCJK-HTRCEHHLSA-N 0 1 259.620 2.050 20 5 CEBDMN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])[C@H]1CCCC[C@H]1C(F)(F)F ZINC000841240006 639715827 /nfs/dbraw/zinc/71/58/27/639715827.db2.gz AYQMKMFEJZPQEX-DOLQZWNJSA-N 0 1 294.273 2.231 20 5 CEBDMN CN(Cn1ncc2ccc([N+](=O)[O-])cc21)C1CCC1 ZINC000172962674 639831742 /nfs/dbraw/zinc/83/17/42/639831742.db2.gz OKUUKMHQVZLTLN-UHFFFAOYSA-N 0 1 260.297 2.386 20 5 CEBDMN CC[C@@H]1CCCC[C@H]1OCCOC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000842340871 640021785 /nfs/dbraw/zinc/02/17/85/640021785.db2.gz UBKHYCGHFUCOBF-FDYHWXHSSA-N 0 1 285.340 2.180 20 5 CEBDMN CC[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccccc1F ZINC000844838825 640849404 /nfs/dbraw/zinc/84/94/04/640849404.db2.gz SABVPDAPRFEGFU-ADEWGFFLSA-N 0 1 266.272 2.058 20 5 CEBDMN O=C(OCc1ccc(F)cc1)c1ccc([N+](=O)[O-])[nH]1 ZINC000918490150 640962230 /nfs/dbraw/zinc/96/22/30/640962230.db2.gz OUUDHKPWDBBXRA-UHFFFAOYSA-N 0 1 264.212 2.419 20 5 CEBDMN O=C(OC[C@H]1C[C@H]2C[C@H]2C1)c1ccc([N+](=O)[O-])[nH]1 ZINC000851411591 643010442 /nfs/dbraw/zinc/01/04/42/643010442.db2.gz AMHBKQJKIASGSZ-PSVAKVPMSA-N 0 1 250.254 2.126 20 5 CEBDMN C[C@@H](C(=O)O[C@@H](C)c1nnc[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000853224952 643713091 /nfs/dbraw/zinc/71/30/91/643713091.db2.gz JWWQKBLSTXESDN-BDAKNGLRSA-N 0 1 290.279 2.121 20 5 CEBDMN O=[N+]([O-])c1ccc([O-])cc1C[N@H+]1CC[C@H]2CSC[C@@H]2C1 ZINC000877742025 650885312 /nfs/dbraw/zinc/88/53/12/650885312.db2.gz XGSAPHVHHLREIX-JQWIXIFHSA-N 0 1 294.376 2.485 20 5 CEBDMN O=[N+]([O-])c1ccc([O-])cc1C[N@H+]1CC[C@@H]2CSC[C@H]2C1 ZINC000877742031 650885621 /nfs/dbraw/zinc/88/56/21/650885621.db2.gz XGSAPHVHHLREIX-ZYHUDNBSSA-N 0 1 294.376 2.485 20 5 CEBDMN CC1(C)C[C@H](O)CN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000877753757 650898528 /nfs/dbraw/zinc/89/85/28/650898528.db2.gz RWCLFPJKELUMQY-ZDUSSCGKSA-N 0 1 264.325 2.188 20 5 CEBDMN CN(C)C1CN(C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000756333118 644631381 /nfs/dbraw/zinc/63/13/81/644631381.db2.gz IJNDHMIQBQJRHP-UHFFFAOYSA-N 0 1 298.730 2.026 20 5 CEBDMN CC(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1Cl ZINC000839722337 644792787 /nfs/dbraw/zinc/79/27/87/644792787.db2.gz FDGUQBKPSWPWIF-MWLCHTKSSA-N 0 1 282.683 2.146 20 5 CEBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@H](c2cccc(Cl)c2)C1 ZINC000839779433 644814089 /nfs/dbraw/zinc/81/40/89/644814089.db2.gz YSTPRMUAIFLNHQ-CYZMBNFOSA-N 0 1 294.738 2.321 20 5 CEBDMN Cc1ccc2c(c1)[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])CCC2 ZINC000839780169 644814356 /nfs/dbraw/zinc/81/43/56/644814356.db2.gz YHNHITLHYPKDLC-MGPQQGTHSA-N 0 1 274.320 2.154 20 5 CEBDMN C[C@@H]1CN(Cc2cc(Cl)ccc2[N+](=O)[O-])CCN1C ZINC000761076663 645233064 /nfs/dbraw/zinc/23/30/64/645233064.db2.gz KBNYURPHPJZERC-SNVBAGLBSA-N 0 1 283.759 2.384 20 5 CEBDMN Cc1nn(CN(C)C2CC2)c2ccc([N+](=O)[O-])cc12 ZINC000764882475 645705795 /nfs/dbraw/zinc/70/57/95/645705795.db2.gz HLMFPQADNCKZOS-UHFFFAOYSA-N 0 1 260.297 2.305 20 5 CEBDMN CCc1cc(CNc2nc(C)ccc2[N+](=O)[O-])n[nH]1 ZINC000765502987 645777902 /nfs/dbraw/zinc/77/79/02/645777902.db2.gz INWMDUCGPPIOIV-UHFFFAOYSA-N 0 1 261.285 2.196 20 5 CEBDMN CC(C)Cc1ccccc1CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000862367518 646417480 /nfs/dbraw/zinc/41/74/80/646417480.db2.gz LIMCBDXIKANSQD-ZIAGYGMSSA-N 0 1 276.336 2.167 20 5 CEBDMN CC[C@H](CCc1ccccc1)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000862691061 646544764 /nfs/dbraw/zinc/54/47/64/646544764.db2.gz OUYBDPRKXOPPPT-MGPQQGTHSA-N 0 1 276.336 2.179 20 5 CEBDMN CCc1cc(CNc2nc3cc([N+](=O)[O-])ccc3[nH]2)n[nH]1 ZINC000774666290 646875294 /nfs/dbraw/zinc/87/52/94/646875294.db2.gz GBNUKKQPYFSGKH-UHFFFAOYSA-N 0 1 286.295 2.369 20 5 CEBDMN COC(=O)/C(C)=C/CN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000775181897 646928686 /nfs/dbraw/zinc/92/86/86/646928686.db2.gz ZSQHLXXKMLWIEQ-PFEDMVJOSA-N 0 1 278.308 2.365 20 5 CEBDMN CC[C@H]1C[C@H](C)CN1Cn1cc([N+](=O)[O-])c(C)n1 ZINC000779863404 647366835 /nfs/dbraw/zinc/36/68/35/647366835.db2.gz OQJKOONOFXUGGX-ONGXEEELSA-N 0 1 252.318 2.178 20 5 CEBDMN Cc1cc(N2C[C@H]3C[C@@]3(CO)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000782404098 647623101 /nfs/dbraw/zinc/62/31/01/647623101.db2.gz TWOAFEODUUJFSC-BZNIZROVSA-N 0 1 299.330 2.270 20 5 CEBDMN O=[N+]([O-])c1ccc(CNC[C@@H](O)C(F)(F)F)cc1Cl ZINC000783599916 647735824 /nfs/dbraw/zinc/73/58/24/647735824.db2.gz HRYKLCGZKMHSEP-SECBINFHSA-N 0 1 298.648 2.261 20 5 CEBDMN CC(C)(F)CCNC(=O)[C@@](C)(N)c1cccc([N+](=O)[O-])c1 ZINC000867983739 648010253 /nfs/dbraw/zinc/01/02/53/648010253.db2.gz DOOGTCKOCVCJNB-AWEZNQCLSA-N 0 1 297.330 2.023 20 5 CEBDMN COC[C@@H](C)N[C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872017267 649241701 /nfs/dbraw/zinc/24/17/01/649241701.db2.gz XXSMJFQZLXFSKO-RKDXNWHRSA-N 0 1 256.277 2.419 20 5 CEBDMN CNC(=O)C(C)(C)CN[C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872053424 649255631 /nfs/dbraw/zinc/25/56/31/649255631.db2.gz KCKIILYTHHPWAZ-VIFPVBQESA-N 0 1 297.330 2.157 20 5 CEBDMN C[C@@H](CN(C)Cn1cc([N+](=O)[O-])cn1)C(C)(C)C ZINC000872817659 649496213 /nfs/dbraw/zinc/49/62/13/649496213.db2.gz AEDZTBUFPXTVBC-JTQLQIEISA-N 0 1 254.334 2.363 20 5 CEBDMN C[C@@H]1CC[C@H](CO)N1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000880440006 651441524 /nfs/dbraw/zinc/44/15/24/651441524.db2.gz PTXQAHBQMVDMNS-MWLCHTKSSA-N 0 1 268.288 2.079 20 5 CEBDMN C[S@](=O)CCCNCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000134913711 652887085 /nfs/dbraw/zinc/88/70/85/652887085.db2.gz HNRZVIANLFYXBL-GOSISDBHSA-N 0 1 290.772 2.106 20 5 CEBDMN CSCc1n[nH]c(CNc2ccc([N+](=O)[O-])cc2F)n1 ZINC000884694110 652968119 /nfs/dbraw/zinc/96/81/19/652968119.db2.gz ASMGLMVNZXOVFP-UHFFFAOYSA-N 0 1 297.315 2.327 20 5 CEBDMN CSCc1nnc(CNc2ccc([N+](=O)[O-])cc2F)[nH]1 ZINC000884694110 652968120 /nfs/dbraw/zinc/96/81/20/652968120.db2.gz ASMGLMVNZXOVFP-UHFFFAOYSA-N 0 1 297.315 2.327 20 5 CEBDMN Cc1cc([N+](=O)[O-])c(N2C[C@H](C)N(C)C[C@H]2C)nc1Cl ZINC001164641410 719180626 /nfs/dbraw/zinc/18/06/26/719180626.db2.gz WBUSJUVLZPSPKX-VHSXEESVSA-N 0 1 298.774 2.480 20 5 CEBDMN Cc1cc(Cl)c([N+](=O)[O-])c(N2C[C@H](C)N(C)C[C@@H]2C)n1 ZINC001164632258 719184228 /nfs/dbraw/zinc/18/42/28/719184228.db2.gz DRNXAZZYDHGPGT-UWVGGRQHSA-N 0 1 298.774 2.480 20 5 CEBDMN C[N@H+]1CC[C@H]1CNc1cc(Cl)ccc1[N+](=O)[O-] ZINC000712527791 814763598 /nfs/dbraw/zinc/76/35/98/814763598.db2.gz GWSXQRATRKPFNK-VIFPVBQESA-N 0 1 255.705 2.364 20 5 CEBDMN CN1CC[C@H]1CNc1cc(Cl)ccc1[N+](=O)[O-] ZINC000712527791 814763602 /nfs/dbraw/zinc/76/36/02/814763602.db2.gz GWSXQRATRKPFNK-VIFPVBQESA-N 0 1 255.705 2.364 20 5 CEBDMN Cc1cc(N[C@H](C)CN2CCN(C)CC2)c([N+](=O)[O-])s1 ZINC000596119911 807175488 /nfs/dbraw/zinc/17/54/88/807175488.db2.gz APWZLEODDACYOU-SNVBAGLBSA-N 0 1 298.412 2.013 20 5 CEBDMN CC[C@H](C)[C@H](C(=O)[O-])[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001119607006 815137866 /nfs/dbraw/zinc/13/78/66/815137866.db2.gz VHWMSELDUXJHQZ-IINYFYTJSA-N 0 1 292.335 2.452 20 5 CEBDMN C[C@H]1COC[C@H]1NCc1ccc([N+](=O)[O-])cc1Cl ZINC000699780858 807842606 /nfs/dbraw/zinc/84/26/06/807842606.db2.gz CMDQMAQEKHLSPT-QPUJVOFHSA-N 0 1 270.716 2.373 20 5 CEBDMN C[C@@H]1COC[C@H]1NCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000699792854 807846171 /nfs/dbraw/zinc/84/61/71/807846171.db2.gz WSJYURYHHMQNBA-LDYMZIIASA-N 0 1 270.716 2.373 20 5 CEBDMN O=C(Nc1ccc(-c2ccc[nH]2)cc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001127436926 807972446 /nfs/dbraw/zinc/97/24/46/807972446.db2.gz IGXSCISJOPAHKR-DGCLKSJQSA-N 0 1 271.276 2.285 20 5 CEBDMN [CH2]CC[N@H+](CCN)[C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170317269 812385402 /nfs/dbraw/zinc/38/54/02/812385402.db2.gz DJPLBCYRDUGNHM-LBPRGKRZSA-N 0 1 294.375 2.019 20 5 CEBDMN [CH2]CC[N@@H+](CCN)[C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170317269 812385411 /nfs/dbraw/zinc/38/54/11/812385411.db2.gz DJPLBCYRDUGNHM-LBPRGKRZSA-N 0 1 294.375 2.019 20 5 CEBDMN C[C@H](Cc1ccc([N+](=O)[O-])cc1)NCc1ncccn1 ZINC001173209813 815635124 /nfs/dbraw/zinc/63/51/24/815635124.db2.gz GIKREFVVOYRVRB-LLVKDONJSA-N 0 1 272.308 2.106 20 5 CEBDMN O=C(NCc1ccc([N+](=O)[O-])cc1)c1cccc(F)c1O ZINC001125250336 815643121 /nfs/dbraw/zinc/64/31/21/815643121.db2.gz XBMNMCLWFIROCQ-UHFFFAOYSA-N 0 1 290.250 2.370 20 5 CEBDMN C[C@H](NCc1cnc2cnccn12)c1ccc([N+](=O)[O-])cc1 ZINC001179579940 816885306 /nfs/dbraw/zinc/88/53/06/816885306.db2.gz YCNBSPYLIXAKTB-NSHDSACASA-N 0 1 297.318 2.488 20 5 CEBDMN CCOc1cc(C[N@@H+](C)C[C@@H](C)C(=O)[O-])ccc1[N+](=O)[O-] ZINC000567595897 299064983 /nfs/dbraw/zinc/06/49/83/299064983.db2.gz RTYJTQOCYDWJER-SNVBAGLBSA-N 0 1 296.323 2.146 20 5 CEBDMN CC[C@H](C)N1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000273090730 192040046 /nfs/dbraw/zinc/04/00/46/192040046.db2.gz NVOZMVSJNLECQX-LBPRGKRZSA-N 0 1 291.351 2.151 20 5 CEBDMN CC[C@@H]1CCN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000125746629 187198577 /nfs/dbraw/zinc/19/85/77/187198577.db2.gz GQFRSSOVINICPB-GFCCVEGCSA-N 0 1 291.351 2.290 20 5 CEBDMN CC(C)c1[nH]nc(C(=O)N2CCC(C)(F)CC2)c1[N+](=O)[O-] ZINC000601869932 346919446 /nfs/dbraw/zinc/91/94/46/346919446.db2.gz TYPCLKCKSJDKGN-UHFFFAOYSA-N 0 1 298.318 2.406 20 5 CEBDMN O=C([O-])C[C@@H]1CCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000042163515 362063765 /nfs/dbraw/zinc/06/37/65/362063765.db2.gz XTAGCVMUFMYBEQ-ZDUSSCGKSA-N 0 1 278.308 2.076 20 5 CEBDMN C[C@H](CN1CCCCC1)NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000032663128 343414823 /nfs/dbraw/zinc/41/48/23/343414823.db2.gz WRKHHMYLBNIIOO-SNVBAGLBSA-N 0 1 297.380 2.261 20 5 CEBDMN Cc1ccc([C@@H](C)NCc2cn[nH]c2)cc1[N+](=O)[O-] ZINC000038006001 343433110 /nfs/dbraw/zinc/43/31/10/343433110.db2.gz GEFKKMFQIYWIEV-SNVBAGLBSA-N 0 1 260.297 2.477 20 5 CEBDMN Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000044686598 343476587 /nfs/dbraw/zinc/47/65/87/343476587.db2.gz HYIBWQNFLWBCGD-WOPDTQHZSA-N 0 1 292.335 2.383 20 5 CEBDMN CCN1CCN(Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000051121419 343548011 /nfs/dbraw/zinc/54/80/11/343548011.db2.gz NGEPWHVAEUCHBW-UHFFFAOYSA-N 0 1 263.341 2.041 20 5 CEBDMN Cc1ccc2[nH]c3c(c2c1)CN(C(=O)[C@H]1CC1[N+](=O)[O-])CC3 ZINC000052531785 343562768 /nfs/dbraw/zinc/56/27/68/343562768.db2.gz LTXQTEKNIJOLCR-NHYWBVRUSA-N 0 1 299.330 2.026 20 5 CEBDMN COCCN(Cc1cc(O)ccc1[N+](=O)[O-])CC(F)F ZINC000092965792 344208279 /nfs/dbraw/zinc/20/82/79/344208279.db2.gz IFXMGQZDRWDDJP-UHFFFAOYSA-N 0 1 290.266 2.014 20 5 CEBDMN COC[C@H]1CCC[N@@H+](Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000093337359 344220388 /nfs/dbraw/zinc/22/03/88/344220388.db2.gz AMTWPVRGNNNKKA-NSHDSACASA-N 0 1 280.324 2.159 20 5 CEBDMN CCc1nn(C)cc1CNCc1cccc([N+](=O)[O-])c1C ZINC000125595513 344319827 /nfs/dbraw/zinc/31/98/27/344319827.db2.gz OARJFAUQDBUSKP-UHFFFAOYSA-N 0 1 288.351 2.489 20 5 CEBDMN CC1(C)[C@H](O)C[C@@H]1NCc1c(Cl)cccc1[N+](=O)[O-] ZINC000128451724 344336811 /nfs/dbraw/zinc/33/68/11/344336811.db2.gz GIMIIEFIDHRQQX-NWDGAFQWSA-N 0 1 284.743 2.497 20 5 CEBDMN CCCO[C@@H]1CCCN(Cc2cn(C)nc2[N+](=O)[O-])CC1 ZINC000602475668 347049972 /nfs/dbraw/zinc/04/99/72/347049972.db2.gz QINLMUVETXDYMJ-CYBMUJFWSA-N 0 1 296.371 2.109 20 5 CEBDMN C[C@H]1CC[N@@H+](Cc2ccccc2[N+](=O)[O-])[C@@H](C(=O)[O-])C1 ZINC000229307049 344565594 /nfs/dbraw/zinc/56/55/94/344565594.db2.gz CGHUGFUOYVFUPS-GXFFZTMASA-N 0 1 278.308 2.280 20 5 CEBDMN CCS[C@H]1CC[C@H](N(C)Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602484402 347055483 /nfs/dbraw/zinc/05/54/83/347055483.db2.gz OOMWDWFASNHTBO-RYUDHWBXSA-N 0 1 298.412 2.434 20 5 CEBDMN CCC[C@@H](C)NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000311929396 344736399 /nfs/dbraw/zinc/73/63/99/344736399.db2.gz VSUWHFCCKWIKKU-MRVPVSSYSA-N 0 1 290.316 2.201 20 5 CEBDMN O=[N+]([O-])c1cc(F)cnc1NCCN1CCCCC1 ZINC000401164085 344867172 /nfs/dbraw/zinc/86/71/72/344867172.db2.gz NJZAJXNZFKPRCT-UHFFFAOYSA-N 0 1 268.292 2.027 20 5 CEBDMN COC(=O)[C@@H]1CCC[C@@H]1NCc1c(F)cccc1[N+](=O)[O-] ZINC000590752778 345174401 /nfs/dbraw/zinc/17/44/01/345174401.db2.gz YRVBAOLKVCSCQV-SKDRFNHKSA-N 0 1 296.298 2.165 20 5 CEBDMN CCc1[nH]nc(C(=O)N2CC[C@H](C3CCC3)C2)c1[N+](=O)[O-] ZINC000591125508 345222536 /nfs/dbraw/zinc/22/25/36/345222536.db2.gz AGCXCLWFRFBJID-JTQLQIEISA-N 0 1 292.339 2.143 20 5 CEBDMN C[C@H]1CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@H]1C(=O)[O-] ZINC000592396842 345349944 /nfs/dbraw/zinc/34/99/44/345349944.db2.gz BKNCPNLDPPEKDK-SMDDNHRTSA-N 0 1 292.335 2.180 20 5 CEBDMN C[C@@H]1CN(C)[C@H](C)[C@H](C)N1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000593188226 345451248 /nfs/dbraw/zinc/45/12/48/345451248.db2.gz ZALQNFVSFXXXKM-UTUOFQBUSA-N 0 1 291.351 2.148 20 5 CEBDMN O=C([O-])C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])CC1CC1 ZINC000593331023 345467432 /nfs/dbraw/zinc/46/74/32/345467432.db2.gz CFYQPVKEADHWJM-HWKANZROSA-N 0 1 290.319 2.405 20 5 CEBDMN Cc1ncc(CN[C@H](C)c2cccc([N+](=O)[O-])c2)n1C ZINC000594920780 345702080 /nfs/dbraw/zinc/70/20/80/345702080.db2.gz AJGAEJFQOURYFX-SNVBAGLBSA-N 0 1 274.324 2.488 20 5 CEBDMN Cc1noc(CN2C[C@H](C)[C@@H](C)[C@@H]2C)c1[N+](=O)[O-] ZINC000595553604 345811678 /nfs/dbraw/zinc/81/16/78/345811678.db2.gz ZIIZXBGHWMHURF-XKSSXDPKSA-N 0 1 253.302 2.368 20 5 CEBDMN Cc1noc(CN2CC[C@H](C(C)C)C2)c1[N+](=O)[O-] ZINC000595340856 345764866 /nfs/dbraw/zinc/76/48/66/345764866.db2.gz YBLOGDZYJBRCHC-JTQLQIEISA-N 0 1 253.302 2.369 20 5 CEBDMN Cc1noc(CN2CC[C@H](c3ccncc3)C2)c1[N+](=O)[O-] ZINC000595487016 345794067 /nfs/dbraw/zinc/79/40/67/345794067.db2.gz BUPGHZJPWGZSMR-LBPRGKRZSA-N 0 1 288.307 2.276 20 5 CEBDMN C[C@H]1CCC[N@@H+](Cc2cc([O-])ccc2[N+](=O)[O-])[C@H]1CCO ZINC000595695388 345851167 /nfs/dbraw/zinc/85/11/67/345851167.db2.gz HFCHMWJTTLRRMD-FZMZJTMJSA-N 0 1 294.351 2.283 20 5 CEBDMN O=[N+]([O-])c1cccc(F)c1CN1C[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC000595633641 345833236 /nfs/dbraw/zinc/83/32/36/345833236.db2.gz RHUTXIAFWBIFPU-GRYCIOLGSA-N 0 1 294.326 2.327 20 5 CEBDMN O=[N+]([O-])c1cc(F)ccc1CN1C[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC000595634161 345833811 /nfs/dbraw/zinc/83/38/11/345833811.db2.gz CNKSZDFXWCTQEM-SCDSUCTJSA-N 0 1 294.326 2.327 20 5 CEBDMN CC[N@@H+](Cc1cccc([N+](=O)[O-])c1C)[C@@H](C)C(=O)[O-] ZINC000595882397 345905524 /nfs/dbraw/zinc/90/55/24/345905524.db2.gz ITYCAWRCQZOZEM-JTQLQIEISA-N 0 1 266.297 2.198 20 5 CEBDMN Cc1nnc(CN(C)Cc2cc(O)ccc2[N+](=O)[O-])s1 ZINC000595886732 345906097 /nfs/dbraw/zinc/90/60/97/345906097.db2.gz YJYLJNJPPOLXOC-UHFFFAOYSA-N 0 1 294.336 2.092 20 5 CEBDMN O=[N+]([O-])c1ccsc1N1CCCc2[nH]ncc2C1 ZINC000596002883 345922202 /nfs/dbraw/zinc/92/22/02/345922202.db2.gz LBXLEETYQOELCF-UHFFFAOYSA-N 0 1 264.310 2.332 20 5 CEBDMN COCCC1CN(Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000597184005 346143321 /nfs/dbraw/zinc/14/33/21/346143321.db2.gz QDPTYUPDPLJVOY-UHFFFAOYSA-N 0 1 264.325 2.372 20 5 CEBDMN O=C([O-])[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000062133269 362710132 /nfs/dbraw/zinc/71/01/32/362710132.db2.gz KRUSUAKTAJMGCS-VIFPVBQESA-N 0 1 284.699 2.155 20 5 CEBDMN O=[N+]([O-])c1ccccc1C=CCN1CCc2n[nH]cc2C1 ZINC000598938664 346434940 /nfs/dbraw/zinc/43/49/40/346434940.db2.gz FOHVBWMPQCOJMZ-HWKANZROSA-N 0 1 284.319 2.389 20 5 CEBDMN CC1(C)[C@H](O)C[C@@H]1NCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000128452601 187371539 /nfs/dbraw/zinc/37/15/39/187371539.db2.gz ICLRQNOZNREBSR-NWDGAFQWSA-N 0 1 284.743 2.497 20 5 CEBDMN Cc1cc([N+](=O)[O-])ccc1CN[C@H](C)[C@H](O)C(F)(F)F ZINC000601153463 346771418 /nfs/dbraw/zinc/77/14/18/346771418.db2.gz OIVLIIFWXIYLFW-KCJUWKMLSA-N 0 1 292.257 2.305 20 5 CEBDMN Cc1ncc([N+](=O)[O-])n1CCN1CCC(F)(F)[C@@H](C)C1 ZINC000602833303 347217476 /nfs/dbraw/zinc/21/74/76/347217476.db2.gz NPBNOINOLLFALZ-VIFPVBQESA-N 0 1 288.298 2.077 20 5 CEBDMN CNC(C)(C)c1cn([C@H](C)c2ccccc2[N+](=O)[O-])nn1 ZINC000603219896 347312380 /nfs/dbraw/zinc/31/23/80/347312380.db2.gz RGRJZIQNWGUJRK-SNVBAGLBSA-N 0 1 289.339 2.250 20 5 CEBDMN CCN(CC)CC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000065748123 362845208 /nfs/dbraw/zinc/84/52/08/362845208.db2.gz BLYIETDHPXAQHR-UHFFFAOYSA-N 0 1 279.340 2.492 20 5 in-vitro CEBDMN CC(C)[C@H](C)NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000128555223 187377426 /nfs/dbraw/zinc/37/74/26/187377426.db2.gz PJIVLFFTDKGACF-QMMMGPOBSA-N 0 1 290.316 2.057 20 5 CEBDMN COc1ccc([N+](=O)[O-])cc1CN(CCO)CC(C)(C)C ZINC000609317095 347634080 /nfs/dbraw/zinc/63/40/80/347634080.db2.gz KIQNPYGBKZDNJU-UHFFFAOYSA-N 0 1 296.367 2.444 20 5 CEBDMN COC[C@@H]1CCCN1Cc1cc([N+](=O)[O-])ccc1OC ZINC000610604912 347695438 /nfs/dbraw/zinc/69/54/38/347695438.db2.gz FWIRSINNADWPJC-ZDUSSCGKSA-N 0 1 280.324 2.214 20 5 CEBDMN CCOc1cc(N2CCN(C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000611297254 347764024 /nfs/dbraw/zinc/76/40/24/347764024.db2.gz LHGOMNBYUJHMMG-NSHDSACASA-N 0 1 279.340 2.134 20 5 CEBDMN C[C@@H](NCc1ccn(C)c(=O)c1)c1ccccc1[N+](=O)[O-] ZINC000611407614 347774709 /nfs/dbraw/zinc/77/47/09/347774709.db2.gz VOPJUHOMAPAUAM-LLVKDONJSA-N 0 1 287.319 2.144 20 5 CEBDMN CC(C)C1CN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000611078184 347736669 /nfs/dbraw/zinc/73/66/69/347736669.db2.gz GCIHZNULDVGQPD-UHFFFAOYSA-N 0 1 288.307 2.199 20 5 CEBDMN C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@H](n2cncn2)C1 ZINC000614419969 348197399 /nfs/dbraw/zinc/19/73/99/348197399.db2.gz KBJPILPUZAADDN-NEPJUHHUSA-N 0 1 287.323 2.194 20 5 CEBDMN C[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2F)[C@@H](C)CN1C ZINC000351937670 219255509 /nfs/dbraw/zinc/25/55/09/219255509.db2.gz UWQCHIFUCAAXPN-QWRGUYRKSA-N 0 1 281.331 2.258 20 5 CEBDMN C[C@@H]1CN(Cc2cc(O)ccc2[N+](=O)[O-])C[C@H](C2CC2)O1 ZINC000619431546 349179573 /nfs/dbraw/zinc/17/95/73/349179573.db2.gz TYSNLOCFWWAWQV-MEBBXXQBSA-N 0 1 292.335 2.300 20 5 CEBDMN C[C@@H]1CN(Cc2ccc(Cl)c([N+](=O)[O-])c2)CCN1C ZINC000110717429 186315509 /nfs/dbraw/zinc/31/55/09/186315509.db2.gz ZUVUWJBKHMSVKM-SNVBAGLBSA-N 0 1 283.759 2.384 20 5 CEBDMN CC[C@@H]1CCN1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000292125283 198172535 /nfs/dbraw/zinc/17/25/35/198172535.db2.gz AWJMGGKTMGUJCW-DGCLKSJQSA-N 0 1 250.298 2.113 20 5 CEBDMN COc1cc([N+](=O)[O-])ccc1CN1CC[C@@H](OC)[C@H](C)C1 ZINC000451571055 283038209 /nfs/dbraw/zinc/03/82/09/283038209.db2.gz POCKYNBOLDCGKK-BXUZGUMPSA-N 0 1 294.351 2.460 20 5 CEBDMN CC(C)N(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CC1 ZINC000079076678 363574373 /nfs/dbraw/zinc/57/43/73/363574373.db2.gz KOVNRFIBSDUMCV-UHFFFAOYSA-N 0 1 277.324 2.067 20 5 CEBDMN CC(C)c1[nH]nc(C(=O)N2CC[C@@H]2C2CC2)c1[N+](=O)[O-] ZINC000452497113 283302977 /nfs/dbraw/zinc/30/29/77/283302977.db2.gz IQOBQGKFRPQGOW-SECBINFHSA-N 0 1 278.312 2.066 20 5 CEBDMN C[C@H]1CC[C@@](CO)([N@@H+](C)Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000339100305 366654534 /nfs/dbraw/zinc/65/45/34/366654534.db2.gz KIEYBDWJPSZHPQ-XHDPSFHLSA-N 0 1 294.351 2.283 20 5 CEBDMN Cn1nccc1CN[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000579494037 366655226 /nfs/dbraw/zinc/65/52/26/366655226.db2.gz DLNVJGCRQKXUII-ZDUSSCGKSA-N 0 1 272.308 2.105 20 5 CEBDMN O=[N+]([O-])c1ccc(O)cc1CN[C@@H](CO)c1ccccc1 ZINC000339080494 366644434 /nfs/dbraw/zinc/64/44/34/366644434.db2.gz DJYDHYPNYRRTJA-AWEZNQCLSA-N 0 1 288.303 2.124 20 5 CEBDMN O=[N+]([O-])c1ccc2oc(CSc3c[nH]nn3)nc2c1 ZINC000342072503 216208401 /nfs/dbraw/zinc/20/84/01/216208401.db2.gz GSJMPECLRHCTQU-UHFFFAOYSA-N 0 1 277.265 2.146 20 5 CEBDMN COCCCCN1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088607620 363912088 /nfs/dbraw/zinc/91/20/88/363912088.db2.gz CIDKCJXQZTYQCO-UHFFFAOYSA-N 0 1 264.325 2.380 20 5 CEBDMN O=C(N[C@@H](c1ccccc1)C1CC1)c1n[nH]cc1[N+](=O)[O-] ZINC000159722907 366943451 /nfs/dbraw/zinc/94/34/51/366943451.db2.gz QIRVLUXCEILTGQ-LBPRGKRZSA-N 0 1 286.291 2.199 20 5 CEBDMN Cc1nc([C@@H](C)Nc2ccc(F)cc2[N+](=O)[O-])n[nH]1 ZINC000343934596 368080457 /nfs/dbraw/zinc/08/04/57/368080457.db2.gz GSAMHLUBLKDFLO-ZCFIWIBFSA-N 0 1 265.248 2.334 20 5 CEBDMN CN(c1ncc([N+](=O)[O-])cc1Cl)[C@H]1CCN(C2CC2)C1 ZINC000346408900 368665998 /nfs/dbraw/zinc/66/59/98/368665998.db2.gz KMRGWULJJFZFPY-JTQLQIEISA-N 0 1 296.758 2.316 20 5 CEBDMN O=C([O-])[C@]12CCC[C@@H]1C[N@@H+](Cc1csc([N+](=O)[O-])c1)C2 ZINC000346649467 368751585 /nfs/dbraw/zinc/75/15/85/368751585.db2.gz HTJFFZFGXXOBIX-MFKMUULPSA-N 0 1 296.348 2.343 20 5 CEBDMN Cc1cc(CNC(=O)c2n[nH]cc2[N+](=O)[O-])ccc1Cl ZINC000186310684 368954495 /nfs/dbraw/zinc/95/44/95/368954495.db2.gz JFZSYRQBUFECAL-UHFFFAOYSA-N 0 1 294.698 2.210 20 5 CEBDMN CC[C@H](C)N(C)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000330788817 203237249 /nfs/dbraw/zinc/23/72/49/203237249.db2.gz YWGPIDKBDBHFGK-QMMMGPOBSA-N 0 1 252.270 2.171 20 5 CEBDMN C[C@@H]1C[C@@H](Nc2ncc([N+](=O)[O-])s2)CN1C1CC1 ZINC000192482771 369819415 /nfs/dbraw/zinc/81/94/15/369819415.db2.gz MWLIIMDQDFEZKQ-HTQZYQBOSA-N 0 1 268.342 2.088 20 5 CEBDMN Cc1c(C(=O)N2CCN(C)CC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000354005193 370174285 /nfs/dbraw/zinc/17/42/85/370174285.db2.gz FNNLRSRXMVLRLZ-NSHDSACASA-N 0 1 291.351 2.069 20 5 CEBDMN O=[N+]([O-])c1cnc(NC2CCN(C3CC3)CC2)s1 ZINC000195507397 370134724 /nfs/dbraw/zinc/13/47/24/370134724.db2.gz IIGDAVKLRXRXOJ-UHFFFAOYSA-N 0 1 268.342 2.090 20 5 CEBDMN Cc1c(Nc2ncc([N+](=O)[O-])cn2)cnn1CC(C)C ZINC000354565212 370412606 /nfs/dbraw/zinc/41/26/06/370412606.db2.gz JVWDLPUVWRANFW-UHFFFAOYSA-N 0 1 276.300 2.289 20 5 CEBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@@H]1c1ccsc1 ZINC000361652931 372004224 /nfs/dbraw/zinc/00/42/24/372004224.db2.gz PXGPFNGWOCCCJQ-GMTAPVOTSA-N 0 1 266.322 2.077 20 5 CEBDMN Cc1ccc2nc(CNC(=O)c3ccc([N+](=O)[O-])[nH]3)[nH]c2c1 ZINC000362643404 372470151 /nfs/dbraw/zinc/47/01/51/372470151.db2.gz XOAYNPBGRCSTNX-UHFFFAOYSA-N 0 1 299.290 2.038 20 5 CEBDMN CCN1C[C@@H](C)N(C(=O)c2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000344417542 217188183 /nfs/dbraw/zinc/18/81/83/217188183.db2.gz FECGNRMJUFVQCA-TXEJJXNPSA-N 0 1 291.351 2.150 20 5 CEBDMN C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000364547666 372750668 /nfs/dbraw/zinc/75/06/68/372750668.db2.gz SBAIJVGDSDDNRI-CABNGKKXSA-N 0 1 274.320 2.056 20 5 CEBDMN O=C(N[C@@H]1CC[C@H](c2ccccc2F)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000369532367 373446340 /nfs/dbraw/zinc/44/63/40/373446340.db2.gz OKPYBSOBANMNGK-UZWIWUQPSA-N 0 1 292.310 2.243 20 5 CEBDMN CC(C)OCCCN(C)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272482849 373508173 /nfs/dbraw/zinc/50/81/73/373508173.db2.gz GCFKYWOLIYLQGB-UHFFFAOYSA-N 0 1 296.323 2.188 20 5 CEBDMN CC1(C)[C@@H]2CN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)C[C@@H]21 ZINC000272539334 373541733 /nfs/dbraw/zinc/54/17/33/373541733.db2.gz NOKDNMAODQXNNK-TXEJJXNPSA-N 0 1 276.292 2.028 20 5 CEBDMN CC[C@H](C)[C@H](C)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272600557 373575539 /nfs/dbraw/zinc/57/55/39/373575539.db2.gz QTEPDGSNZGMCRT-IUCAKERBSA-N 0 1 266.297 2.465 20 5 CEBDMN CCCC[C@H](COC)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272605480 373578065 /nfs/dbraw/zinc/57/80/65/373578065.db2.gz YIXSNBJPWNHXGF-LLVKDONJSA-N 0 1 296.323 2.235 20 5 CEBDMN O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CC[C@H](C3CC3)C2)c1 ZINC000372854383 374212844 /nfs/dbraw/zinc/21/28/44/374212844.db2.gz CSUFSJUNPISFHD-DZGCQCFKSA-N 0 1 276.336 2.360 20 5 CEBDMN C[C@@H]1COCCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000374366121 374554669 /nfs/dbraw/zinc/55/46/69/374554669.db2.gz MZGPHUKRTXBTDC-NSHDSACASA-N 0 1 250.298 2.063 20 5 CEBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@H]1/C=C/c1ccccc1 ZINC000378590337 375133657 /nfs/dbraw/zinc/13/36/57/375133657.db2.gz PUGTUBIPFNZLNI-DHDSJRAHSA-N 0 1 286.331 2.356 20 5 CEBDMN Cc1ccc(CN2C[C@@H](O)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000280582580 375252197 /nfs/dbraw/zinc/25/21/97/375252197.db2.gz WSYREBOEVIWOGM-CYBMUJFWSA-N 0 1 264.325 2.106 20 5 CEBDMN C[C@H](NCc1ccc([N+](=O)[O-])c(F)c1)c1cn[nH]c1 ZINC000283050260 375644675 /nfs/dbraw/zinc/64/46/75/375644675.db2.gz IWMAXBXPUSVPJI-QMMMGPOBSA-N 0 1 264.260 2.308 20 5 CEBDMN C[C@H](N[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1cnn(C)c1 ZINC000283921984 375780615 /nfs/dbraw/zinc/78/06/15/375780615.db2.gz DRJIZCVWVZFVPP-UWVGGRQHSA-N 0 1 289.339 2.322 20 5 CEBDMN CCN1CCN(Cc2ccc([N+](=O)[O-])cc2F)[C@H](C)C1 ZINC000286701638 376040545 /nfs/dbraw/zinc/04/05/45/376040545.db2.gz WJEHECMNCGMHLM-LLVKDONJSA-N 0 1 281.331 2.260 20 5 CEBDMN COc1cc(CN2CCC[C@@H](C)[C@@H]2CO)ccc1[N+](=O)[O-] ZINC000305803690 376496977 /nfs/dbraw/zinc/49/69/77/376496977.db2.gz FQEBHCSHSJHOQH-RISCZKNCSA-N 0 1 294.351 2.196 20 5 CEBDMN CCC1(C)CN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000291003222 377025956 /nfs/dbraw/zinc/02/59/56/377025956.db2.gz BXSBQUCJNLMTJP-UHFFFAOYSA-N 0 1 288.307 2.343 20 5 CEBDMN Cc1[nH]nc(C(=O)N2[C@@H](C)CCC[C@@H]2C)c1[N+](=O)[O-] ZINC000264725766 190130864 /nfs/dbraw/zinc/13/08/64/190130864.db2.gz YKXFWXGURBUMAP-YUMQZZPRSA-N 0 1 266.301 2.029 20 5 CEBDMN CC[C@@H]1CCCN1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000330504291 377162395 /nfs/dbraw/zinc/16/23/95/377162395.db2.gz DQMUKBPOIYCYIA-GFCCVEGCSA-N 0 1 291.351 2.432 20 5 CEBDMN CO[C@@H]1CN([C@@H](C)c2cccc([N+](=O)[O-])c2)C[C@H]1OC ZINC000331133271 377296806 /nfs/dbraw/zinc/29/68/06/377296806.db2.gz UPYKYWOUPHRKNS-ZLKJLUDKSA-N 0 1 280.324 2.001 20 5 CEBDMN C[C@H]1CSCC[N@@H+](Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000332333200 377570117 /nfs/dbraw/zinc/57/01/17/377570117.db2.gz PRDXVYUEJHBLMM-SNVBAGLBSA-N 0 1 282.365 2.485 20 5 CEBDMN CN(CC1CCC1)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000332462855 377613735 /nfs/dbraw/zinc/61/37/35/377613735.db2.gz KNJSVVHZHOKLHR-UHFFFAOYSA-N 0 1 264.281 2.173 20 5 CEBDMN CN1CCC[C@H]1C(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000293898502 377814571 /nfs/dbraw/zinc/81/45/71/377814571.db2.gz HCCLNMGZFDFDRT-ZDUSSCGKSA-N 0 1 291.351 2.040 20 5 CEBDMN CC[C@H]1CCN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000294178611 377930147 /nfs/dbraw/zinc/93/01/47/377930147.db2.gz WRBYAOPQOISZMF-QMMMGPOBSA-N 0 1 274.280 2.096 20 5 CEBDMN CC[C@H](C)NC(=O)CN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000296536833 378566826 /nfs/dbraw/zinc/56/68/26/378566826.db2.gz DRWBSENCTPNMNK-QWRGUYRKSA-N 0 1 279.340 2.160 20 5 CEBDMN C[C@@H](CO)NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000266173639 190237467 /nfs/dbraw/zinc/23/74/67/190237467.db2.gz SEIFUAITYMWZKP-VIFPVBQESA-N 0 1 293.348 2.189 20 5 CEBDMN O=[N+]([O-])c1ccn(CCN2CCC[C@H]2c2cccnc2)n1 ZINC000346977815 218075745 /nfs/dbraw/zinc/07/57/45/218075745.db2.gz LDPFZWFBHUAACM-ZDUSSCGKSA-N 0 1 287.323 2.023 20 5 CEBDMN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCN(C)CC1 ZINC000347340291 218195031 /nfs/dbraw/zinc/19/50/31/218195031.db2.gz NVDFGHDUFHHNND-RAXLEYEMSA-N 0 1 275.352 2.246 20 5 CEBDMN C[C@H](NCc1n[nH]c(C2CC2)n1)c1ccccc1[N+](=O)[O-] ZINC000347649162 218307183 /nfs/dbraw/zinc/30/71/83/218307183.db2.gz IBDMYSJHBAYGTE-VIFPVBQESA-N 0 1 287.323 2.441 20 5 CEBDMN Cc1sc(C(=O)NCCN2CC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000524721114 379631132 /nfs/dbraw/zinc/63/11/32/379631132.db2.gz MWRDGZARXCFGHP-SECBINFHSA-N 0 1 297.380 2.036 20 5 CEBDMN CC[C@H](NC(=O)[C@@H]1CCCN1C)c1cccc([N+](=O)[O-])c1 ZINC000267280757 190317608 /nfs/dbraw/zinc/31/76/08/190317608.db2.gz KSYYHVOUANBWAC-KBPBESRZSA-N 0 1 291.351 2.256 20 5 CEBDMN CCO[C@@H]1C[C@@H]1N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000556078717 380868494 /nfs/dbraw/zinc/86/84/94/380868494.db2.gz YEGASPRJQSZJFY-JIMOISOXSA-N 0 1 250.298 2.423 20 5 CEBDMN O=[N+]([O-])c1ccc(CN[C@H]2CCCc3n[nH]cc32)cc1 ZINC000375803347 285115724 /nfs/dbraw/zinc/11/57/24/285115724.db2.gz ZXYCLRWTDCYRGC-ZDUSSCGKSA-N 0 1 272.308 2.485 20 5 CEBDMN O=[N+]([O-])c1cc(CNCC2=CCCOC2)cs1 ZINC000288490503 197093561 /nfs/dbraw/zinc/09/35/61/197093561.db2.gz QUBMSOPBBAJMDD-UHFFFAOYSA-N 0 1 254.311 2.093 20 5 CEBDMN CC[C@H]1CN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CCCO1 ZINC000281453630 195246183 /nfs/dbraw/zinc/24/61/83/195246183.db2.gz QSULKTVAPOTZJM-GJZGRUSLSA-N 0 1 294.351 2.129 20 5 CEBDMN COCCN1CCC[C@H]1CNc1c(F)cccc1[N+](=O)[O-] ZINC000342078450 130241211 /nfs/dbraw/zinc/24/12/11/130241211.db2.gz RAOYDRMOUZPMGZ-NSHDSACASA-N 0 1 297.330 2.257 20 5 CEBDMN CCN(C(=O)c1n[nH]c(C)c1[N+](=O)[O-])C1CCCC1 ZINC000264115953 131396882 /nfs/dbraw/zinc/39/68/82/131396882.db2.gz CBZRWXJMOXPBQZ-UHFFFAOYSA-N 0 1 266.301 2.031 20 5 CEBDMN Cc1nc([C@H](C)Sc2ncccc2[N+](=O)[O-])n[nH]1 ZINC000412987198 394451956 /nfs/dbraw/zinc/45/19/56/394451956.db2.gz AQPXLYDXQIHRQZ-LURJTMIESA-N 0 1 265.298 2.270 20 5 CEBDMN O=[N+]([O-])c1ccc([O-])cc1C[N@@H+]1CCC[C@H](CCO)CC1 ZINC000421024460 394469868 /nfs/dbraw/zinc/46/98/68/394469868.db2.gz XIYDQRTXNXEDAS-LBPRGKRZSA-N 0 1 294.351 2.285 20 5 CEBDMN CC[C@@H](N[C@H](C)C(=O)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000036794140 394494662 /nfs/dbraw/zinc/49/46/62/394494662.db2.gz HXZLPIRWDGSRRD-ZWNOBZJWSA-N 0 1 279.340 2.112 20 5 CEBDMN Cc1c(C[N@@H+]2CCC[C@H]([C@H](C)O)C2)cccc1[N+](=O)[O-] ZINC000305180761 394498460 /nfs/dbraw/zinc/49/84/60/394498460.db2.gz NOAXQSQZZGDTFA-JSGCOSHPSA-N 0 1 278.352 2.496 20 5 CEBDMN C[C@@H]1CN(C2CC2)C[C@H]1Nc1ncc([N+](=O)[O-])cc1F ZINC000413187516 394499831 /nfs/dbraw/zinc/49/98/31/394499831.db2.gz FGKHNFHJUZXXPE-PRHODGIISA-N 0 1 280.303 2.024 20 5 CEBDMN O=[N+]([O-])c1ccccc1CNCc1c[nH]c2nccnc12 ZINC000356173824 394552820 /nfs/dbraw/zinc/55/28/20/394552820.db2.gz HOBZHIWPMUKEGN-UHFFFAOYSA-N 0 1 283.291 2.108 20 5 CEBDMN CCC[C@H]1CNCCN1C(=O)c1ccc([N+](=O)[O-])cc1C ZINC000359219048 394745380 /nfs/dbraw/zinc/74/53/80/394745380.db2.gz HSBHTMVJOWTKEH-ZDUSSCGKSA-N 0 1 291.351 2.117 20 5 CEBDMN CC(C)c1[nH]nc(C(=O)N(C)CC(F)(F)F)c1[N+](=O)[O-] ZINC000269331359 394717523 /nfs/dbraw/zinc/71/75/23/394717523.db2.gz FKXGOYFWDMTVNK-UHFFFAOYSA-N 0 1 294.233 2.076 20 5 CEBDMN O=[N+]([O-])c1cnc(NC[C@H]2CCCCN2C2CC2)s1 ZINC000282079449 394907490 /nfs/dbraw/zinc/90/74/90/394907490.db2.gz ZPXULJFBUPHZJW-SNVBAGLBSA-N 0 1 282.369 2.480 20 5 CEBDMN Cc1cc(NC(=O)N2CCNC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000415422397 394930860 /nfs/dbraw/zinc/93/08/60/394930860.db2.gz WOSANEIEUOREQJ-UHFFFAOYSA-N 0 1 292.339 2.119 20 5 CEBDMN CCN1C[C@@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000344438539 395055243 /nfs/dbraw/zinc/05/52/43/395055243.db2.gz XCOCEHWUOXKOAD-VXGBXAGGSA-N 0 1 291.351 2.150 20 5 CEBDMN CCOc1ccc([N+](=O)[O-])cc1CN(C)CC(C)(C)CO ZINC000294880976 395280527 /nfs/dbraw/zinc/28/05/27/395280527.db2.gz VOIWGLNZYSDZBU-UHFFFAOYSA-N 0 1 296.367 2.444 20 5 CEBDMN C[C@@H]1C[N@@H+](Cc2ccccc2[N+](=O)[O-])C[C@@]1(C)C(=O)[O-] ZINC000565487147 395473795 /nfs/dbraw/zinc/47/37/95/395473795.db2.gz UQJHSAYMFPUEKA-QMTHXVAHSA-N 0 1 278.308 2.137 20 5 CEBDMN COc1cc(CN2CC[C@H](O)C(C)(C)C2)ccc1[N+](=O)[O-] ZINC000446065986 395480444 /nfs/dbraw/zinc/48/04/44/395480444.db2.gz GDDKNETUJMGCLE-AWEZNQCLSA-N 0 1 294.351 2.196 20 5 CEBDMN CCCc1[nH]nc(C(=O)N2CC[C@@H](C(C)C)C2)c1[N+](=O)[O-] ZINC000446518369 395493502 /nfs/dbraw/zinc/49/35/02/395493502.db2.gz ALXMNORHUVSAAT-SNVBAGLBSA-N 0 1 294.355 2.389 20 5 CEBDMN O=C(NC1(CF)CCC1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000568093318 395548012 /nfs/dbraw/zinc/54/80/12/395548012.db2.gz KHTWECKEEUTFAC-UHFFFAOYSA-N 0 1 292.270 2.093 20 5 CEBDMN Cc1ccc([N+](=O)[O-])c(C(=O)N2CCN(C)CC[C@@H]2C)c1 ZINC000359286272 292282258 /nfs/dbraw/zinc/28/22/58/292282258.db2.gz ILXWXPMMACPZPA-LBPRGKRZSA-N 0 1 291.351 2.069 20 5 CEBDMN CC(C)NC(=O)[C@H](C)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000228943500 153374506 /nfs/dbraw/zinc/37/45/06/153374506.db2.gz CVWPAHNPRDIPAA-QWRGUYRKSA-N 0 1 279.340 2.159 20 5 CEBDMN C[C@H]1CC[C@]2(CCN(Cc3c([N+](=O)[O-])ncn3C)C2)C1 ZINC000368076458 156277516 /nfs/dbraw/zinc/27/75/16/156277516.db2.gz QEPUBTQFYUAQJA-FZMZJTMJSA-N 0 1 278.356 2.340 20 5 CEBDMN CC(C)(C)[C@@H](CO)NCc1c(F)cccc1[N+](=O)[O-] ZINC000180629419 165317100 /nfs/dbraw/zinc/31/71/00/165317100.db2.gz DOVNFQJOLFZDLK-GFCCVEGCSA-N 0 1 270.304 2.231 20 5 CEBDMN CN(CCc1ccccc1[N+](=O)[O-])Cc1cncn1C ZINC000285270015 196237200 /nfs/dbraw/zinc/23/72/00/196237200.db2.gz INBPTKVSIRWJPM-UHFFFAOYSA-N 0 1 274.324 2.003 20 5 CEBDMN CCN1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000285666127 196360369 /nfs/dbraw/zinc/36/03/69/196360369.db2.gz MKAJKRRNFABDAK-NSHDSACASA-N 0 1 292.339 2.153 20 5 CEBDMN Cc1c(CSc2nc(N)cc(N)n2)cccc1[N+](=O)[O-] ZINC000040437787 174262654 /nfs/dbraw/zinc/26/26/54/174262654.db2.gz WMRROFNGOZWYRQ-UHFFFAOYSA-N 0 1 291.336 2.150 20 5 CEBDMN O=c1nc(Cc2ccc([N+](=O)[O-])cc2)[nH]c2ccsc21 ZINC000077251619 177239391 /nfs/dbraw/zinc/23/93/91/177239391.db2.gz FQQSFLWZVLMBHG-UHFFFAOYSA-N 0 1 287.300 2.484 20 5 CEBDMN CC[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])c1cccs1 ZINC000179578842 260055315 /nfs/dbraw/zinc/05/53/15/260055315.db2.gz DCXKABZXHRCSOZ-ZETCQYMHSA-N 0 1 280.309 2.261 20 5 CEBDMN C[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])[C@@H]1CC2CCC1CC2 ZINC000519171948 265357204 /nfs/dbraw/zinc/35/72/04/265357204.db2.gz QAHCIGGWFCLUHM-SFXRXQKFSA-N 0 1 292.339 2.263 20 5 CEBDMN CC1(C)OCC[C@H]1NCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000295208376 273592360 /nfs/dbraw/zinc/59/23/60/273592360.db2.gz LWAVQXTYYKKNPY-GFCCVEGCSA-N 0 1 295.295 2.160 20 5 CEBDMN O=[N+]([O-])c1cc(Cl)cnc1N1CCN(CC2CC2)CC1 ZINC000153604319 275033586 /nfs/dbraw/zinc/03/35/86/275033586.db2.gz OVQSBSMTVUIXBH-UHFFFAOYSA-N 0 1 296.758 2.175 20 5 CEBDMN COc1cc(CN2[C@H](C)CCC[C@@H]2CO)ccc1[N+](=O)[O-] ZINC000305878405 277377792 /nfs/dbraw/zinc/37/77/92/277377792.db2.gz SNHNIRLKUFSTTP-DGCLKSJQSA-N 0 1 294.351 2.339 20 5 CEBDMN CC(C)c1[nH]nc(C(=O)N2CC[C@@H]3CCC[C@@H]32)c1[N+](=O)[O-] ZINC000408376713 278000677 /nfs/dbraw/zinc/00/06/77/278000677.db2.gz NZMMBNVXHPZESX-UWVGGRQHSA-N 0 1 292.339 2.456 20 5 CEBDMN CCOC(=O)[C@@H](C)[C@H](C)NCc1csc([N+](=O)[O-])c1 ZINC000185715739 280126301 /nfs/dbraw/zinc/12/63/01/280126301.db2.gz BCQHYMJKAGBLRM-IUCAKERBSA-N 0 1 286.353 2.334 20 5 CEBDMN C[C@]1(F)CCN(Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000339059954 280162509 /nfs/dbraw/zinc/16/25/09/280162509.db2.gz CYUOXJYQRQKHTL-LBPRGKRZSA-N 0 1 254.261 2.234 20 5 CEBDMN CCNC(=O)[C@H](C)N[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000540822407 298268543 /nfs/dbraw/zinc/26/85/43/298268543.db2.gz HJHXRNLNYCPQMY-QWRGUYRKSA-N 0 1 279.340 2.078 20 5 CEBDMN Cc1n[nH]c(C(F)F)c1NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000541849199 298286668 /nfs/dbraw/zinc/28/66/68/298286668.db2.gz RHJCMIQJZXYYJH-UHFFFAOYSA-N 0 1 297.221 2.211 20 5 CEBDMN O=[N+]([O-])c1cccc2c1CC[C@@H]2NCc1n[nH]c(C2CC2)n1 ZINC000572975491 314134546 /nfs/dbraw/zinc/13/45/46/314134546.db2.gz WOWJCOSMMKOHFQ-LBPRGKRZSA-N 0 1 299.334 2.367 20 5 CEBDMN Cc1ccc(CN(C)[C@H](CO)COC(C)C)cc1[N+](=O)[O-] ZINC000576115820 314243934 /nfs/dbraw/zinc/24/39/34/314243934.db2.gz GPBVDWHWVAUNKK-CQSZACIVSA-N 0 1 296.367 2.121 20 5 CEBDMN C[N@@H+](CCCCC(=O)[O-])CCc1ccccc1[N+](=O)[O-] ZINC000577411011 314375175 /nfs/dbraw/zinc/37/51/75/314375175.db2.gz DQZKWTJGRATEIV-UHFFFAOYSA-N 0 1 280.324 2.324 20 5 CEBDMN CC[C@@H](N[C@H](C)c1cc([N+](=O)[O-])ccc1C)C(=O)NC ZINC000579077593 314545394 /nfs/dbraw/zinc/54/53/94/314545394.db2.gz HCXVNBZUVJRYDR-ZWNOBZJWSA-N 0 1 279.340 2.078 20 5 CEBDMN COc1cc(CN[C@@]2(C)CCO[C@H]2C)c([N+](=O)[O-])cc1F ZINC000494237210 518135253 /nfs/dbraw/zinc/13/52/53/518135253.db2.gz JNUNXUXWSURLIZ-XPTSAGLGSA-N 0 1 298.314 2.400 20 5 CEBDMN CC1CCC(C)(CNC(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC000357372782 528169992 /nfs/dbraw/zinc/16/99/92/528169992.db2.gz DGNWAIYJINQNCL-UHFFFAOYSA-N 0 1 280.328 2.264 20 5 CEBDMN CCCn1cc(CNCc2ccc([N+](=O)[O-])cc2)cn1 ZINC000116914250 528845648 /nfs/dbraw/zinc/84/56/48/528845648.db2.gz YEJGJMRFGJWQBM-UHFFFAOYSA-N 0 1 274.324 2.491 20 5 CEBDMN CCc1cc(CNC(=O)c2cccc([N+](=O)[O-])c2C)n[nH]1 ZINC000732792592 574630661 /nfs/dbraw/zinc/63/06/61/574630661.db2.gz WHIFTHSNHMPSMK-UHFFFAOYSA-N 0 1 288.307 2.119 20 5 CEBDMN C[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])C(C)(C)C(=O)[O-] ZINC000737454513 574834858 /nfs/dbraw/zinc/83/48/58/574834858.db2.gz SDGGITGDCURSBT-UHFFFAOYSA-N 0 1 270.260 2.029 20 5 CEBDMN C[C@@H]1C[N@H+](Cc2csc([N+](=O)[O-])c2)CC[C@H]1NC(=O)[O-] ZINC000739185558 574898229 /nfs/dbraw/zinc/89/82/29/574898229.db2.gz AKNYSGBDBSPGOM-PSASIEDQSA-N 0 1 299.352 2.134 20 5 CEBDMN C[C@@H]1C[N@@H+](Cc2csc([N+](=O)[O-])c2)CC[C@H]1NC(=O)[O-] ZINC000739185558 574898232 /nfs/dbraw/zinc/89/82/32/574898232.db2.gz AKNYSGBDBSPGOM-PSASIEDQSA-N 0 1 299.352 2.134 20 5 CEBDMN CO[C@@]1(C)C[C@@H](OC(=O)c2ccc([N+](=O)[O-])[nH]2)C1(C)C ZINC000747330240 575169511 /nfs/dbraw/zinc/16/95/11/575169511.db2.gz MSWBUKQMYXDOGN-RNCFNFMXSA-N 0 1 282.296 2.283 20 5 CEBDMN CC(C)[N@@H+](CC(=O)[O-])Cc1ccc([N+](=O)[O-])cc1F ZINC000311405361 601353295 /nfs/dbraw/zinc/35/32/95/601353295.db2.gz HALJGBXHQUBHHS-UHFFFAOYSA-N 0 1 270.260 2.029 20 5 CEBDMN C[N@@H+](Cc1ccccc1[N+](=O)[O-])CC(C)(C)CNC(=O)[O-] ZINC000828406826 603547553 /nfs/dbraw/zinc/54/75/53/603547553.db2.gz HBEAFGJIARLPRZ-UHFFFAOYSA-N 0 1 295.339 2.320 20 5 CEBDMN CCN(CCC(=O)NC)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000933868006 624058772 /nfs/dbraw/zinc/05/87/72/624058772.db2.gz QSXCLZXZPMXCDX-UHFFFAOYSA-N 0 1 299.758 2.206 20 5 CEBDMN CCOCCN(CC[N+](=O)[O-])[C@@H]1CCc2ccccc21 ZINC000931259598 628490847 /nfs/dbraw/zinc/49/08/47/628490847.db2.gz QNDJTCMASJFKGX-OAHLLOKOSA-N 0 1 278.352 2.289 20 5 CEBDMN Cc1nn(CN2C[C@H](C)[C@@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000841693788 628924415 /nfs/dbraw/zinc/92/44/15/628924415.db2.gz VMRSJMFIABNIRV-NGZCFLSTSA-N 0 1 252.318 2.034 20 5 CEBDMN O=C(OCCc1c(F)cccc1Cl)[C@@H]1CC1[N+](=O)[O-] ZINC000840671697 629299037 /nfs/dbraw/zinc/29/90/37/629299037.db2.gz ZIXFPVHXEKNOAN-LDYMZIIASA-N 0 1 287.674 2.230 20 5 CEBDMN O=C(OCCCc1ccccc1Cl)[C@@H]1CC1[N+](=O)[O-] ZINC000840673651 629361145 /nfs/dbraw/zinc/36/11/45/629361145.db2.gz XCCATJZZDGNBKV-ZYHUDNBSSA-N 0 1 283.711 2.481 20 5 CEBDMN CO[C@H]1CC[C@H]1N(C)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000902634939 634754966 /nfs/dbraw/zinc/75/49/66/634754966.db2.gz WPOXIOQMEUXONE-KGLIPLIRSA-N 0 1 290.323 2.011 20 5 CEBDMN Cc1nc[nH]c1C(=O)N1CCc2cc(C)c([N+](=O)[O-])cc21 ZINC000821705768 634772384 /nfs/dbraw/zinc/77/23/84/634772384.db2.gz NHUOENCZFABJFK-UHFFFAOYSA-N 0 1 286.291 2.138 20 5 CEBDMN COc1c(O)ccc(CN2CC[C@@H]3C[C@@H]3C2)c1[N+](=O)[O-] ZINC000895434252 630182800 /nfs/dbraw/zinc/18/28/00/630182800.db2.gz UKOSZLWRDBFAAV-MWLCHTKSSA-N 0 1 278.308 2.151 20 5 CEBDMN O=C(Nc1c[nH]nn1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000798128114 630815973 /nfs/dbraw/zinc/81/59/73/630815973.db2.gz NXGFSLSPAJJBIO-UHFFFAOYSA-N 0 1 289.276 2.180 20 5 CEBDMN CCOC(C)(C)C(=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000869768437 631014528 /nfs/dbraw/zinc/01/45/28/631014528.db2.gz FIUMRRHDANYZSD-UHFFFAOYSA-N 0 1 283.280 2.159 20 5 CEBDMN O=[N+]([O-])c1ccnn1CN1CCCCCCCC1 ZINC000840135007 631949904 /nfs/dbraw/zinc/94/99/04/631949904.db2.gz WZTXBWMMNLIVLE-UHFFFAOYSA-N 0 1 252.318 2.405 20 5 CEBDMN Cc1cc2c(o1)CC(C)(C)C[C@@H]2NCC[N+](=O)[O-] ZINC000905048257 635788377 /nfs/dbraw/zinc/78/83/77/635788377.db2.gz CHGLJFKKCPCLHU-NSHDSACASA-N 0 1 252.314 2.468 20 5 CEBDMN Cc1nc([C@@H](C)OC(=O)c2cc(C)ccc2[N+](=O)[O-])n[nH]1 ZINC000840235904 632408212 /nfs/dbraw/zinc/40/82/12/632408212.db2.gz YNGLVNHZGYPSGA-MRVPVSSYSA-N 0 1 290.279 2.248 20 5 CEBDMN CC[N@@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H](C)CO ZINC000815183414 632977552 /nfs/dbraw/zinc/97/75/52/632977552.db2.gz VXOILBSSJWLITC-VIFPVBQESA-N 0 1 272.732 2.451 20 5 CEBDMN Cc1cccc(CNC[C@@H](O)c2cccc([N+](=O)[O-])c2)n1 ZINC000818967228 634019553 /nfs/dbraw/zinc/01/95/53/634019553.db2.gz ZQVGSQAZNGWROY-OAHLLOKOSA-N 0 1 287.319 2.121 20 5 CEBDMN CC(C)CN(CC(C)(C)C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840396957 634249240 /nfs/dbraw/zinc/24/92/40/634249240.db2.gz BYCUNOLTENNZEC-GHMZBOCLSA-N 0 1 256.346 2.182 20 5 CEBDMN C[C@](Cc1ccccc1)(NC(=O)[C@@H]1CC1[N+](=O)[O-])C1CC1 ZINC000840474729 635020347 /nfs/dbraw/zinc/02/03/47/635020347.db2.gz LVYNIAVHZUMVMF-IIAWOOMASA-N 0 1 288.347 2.179 20 5 CEBDMN Cc1cnc(CNC[C@@H](O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000824080704 635341633 /nfs/dbraw/zinc/34/16/33/635341633.db2.gz JKVQUMSMFNJSBE-GFCCVEGCSA-N 0 1 293.348 2.183 20 5 CEBDMN CC[C@@H](CNCC[N+](=O)[O-])Oc1ccccc1Cl ZINC000905152344 635831628 /nfs/dbraw/zinc/83/16/28/635831628.db2.gz BLRWUPTXWNUKCQ-JTQLQIEISA-N 0 1 272.732 2.364 20 5 CEBDMN CS[C@@H](C)CCOC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000835666198 638344621 /nfs/dbraw/zinc/34/46/21/638344621.db2.gz PFJSABQEZXEWQA-ZETCQYMHSA-N 0 1 258.299 2.221 20 5 CEBDMN CC(C)CO[C@@H](C)C(=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837440385 639229362 /nfs/dbraw/zinc/22/93/62/639229362.db2.gz LSINPFHUINEPOP-JTQLQIEISA-N 0 1 297.307 2.405 20 5 CEBDMN CC(C)CO[C@H](C)C(=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837440387 639229922 /nfs/dbraw/zinc/22/99/22/639229922.db2.gz LSINPFHUINEPOP-SNVBAGLBSA-N 0 1 297.307 2.405 20 5 CEBDMN C[C@@H]1COCC[C@H]1C(=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837672588 639336412 /nfs/dbraw/zinc/33/64/12/639336412.db2.gz DWQIJKDRWFFWNH-BXKDBHETSA-N 0 1 295.291 2.016 20 5 CEBDMN CC1(C)CC[C@H](C(=O)OCc2cc(O)ccc2[N+](=O)[O-])O1 ZINC000837676283 639338408 /nfs/dbraw/zinc/33/84/08/639338408.db2.gz JANYVIQEEOMIFK-GFCCVEGCSA-N 0 1 295.291 2.301 20 5 CEBDMN CC[C@@H](C(=O)[O-])[N@@H+](C)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000044623463 639347986 /nfs/dbraw/zinc/34/79/86/639347986.db2.gz WMWTXASFPGEVCB-JTQLQIEISA-N 0 1 270.260 2.029 20 5 CEBDMN CC[C@@H]1C[C@H]1C(=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837972578 639461258 /nfs/dbraw/zinc/46/12/58/639461258.db2.gz FBADHZDMUAQOLC-LDYMZIIASA-N 0 1 265.265 2.390 20 5 CEBDMN C[C@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])c1c(F)cccc1F ZINC000840672645 639521160 /nfs/dbraw/zinc/52/11/60/639521160.db2.gz KHFXLFCENQMXJJ-NYNCVSEMSA-N 0 1 271.219 2.234 20 5 CEBDMN C[C@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])c1ncc(C(C)(C)C)o1 ZINC000840671272 639521279 /nfs/dbraw/zinc/52/12/79/639521279.db2.gz SYTVIYQJXHKNOL-DJLDLDEBSA-N 0 1 282.296 2.242 20 5 CEBDMN O=C(O[C@H]1CCCc2cc(F)ccc21)[C@@H]1CC1[N+](=O)[O-] ZINC000841138079 639688320 /nfs/dbraw/zinc/68/83/20/639688320.db2.gz RSMHEZZYNIRQPQ-UPJWGTAASA-N 0 1 279.267 2.412 20 5 CEBDMN Cc1cc(COC(=O)[C@@H]2CC2[N+](=O)[O-])ccc1Cl ZINC000841175997 639700036 /nfs/dbraw/zinc/70/00/36/639700036.db2.gz OCXKOZKYOYKNMA-MWLCHTKSSA-N 0 1 269.684 2.357 20 5 CEBDMN C[C@@H]1CCCN1Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000173526995 639863132 /nfs/dbraw/zinc/86/31/32/639863132.db2.gz DTEJPRGMPYCSMP-LLVKDONJSA-N 0 1 287.323 2.295 20 5 CEBDMN C/C=C/c1ccc(OC(=O)[C@@H]2CC2[N+](=O)[O-])c(OC)c1 ZINC000842283186 639997032 /nfs/dbraw/zinc/99/70/32/639997032.db2.gz UHBZCQRFKNYVIJ-YIZUVKHSSA-N 0 1 277.276 2.299 20 5 CEBDMN CCO[C@H]1C[C@@H](OC(=O)[C@@H]2CC2[N+](=O)[O-])C12CCCCC2 ZINC000842314416 640009440 /nfs/dbraw/zinc/00/94/40/640009440.db2.gz YSIYGXNAWVHXBT-FVCCEPFGSA-N 0 1 297.351 2.323 20 5 CEBDMN CC[C@@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccnc(Cl)c1 ZINC000842357547 640027531 /nfs/dbraw/zinc/02/75/31/640027531.db2.gz CZUHEPJAFOGNJK-OPRDCNLKSA-N 0 1 284.699 2.395 20 5 CEBDMN O=C(OC[C@@H]1CC[C@H](c2ccccc2)O1)[C@@H]1CC1[N+](=O)[O-] ZINC000842366525 640031352 /nfs/dbraw/zinc/03/13/52/640031352.db2.gz BHTZCUWKLUWENH-REWJHTLYSA-N 0 1 291.303 2.115 20 5 CEBDMN CCCONC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000844085444 640601193 /nfs/dbraw/zinc/60/11/93/640601193.db2.gz CGWQOHAHLQYUSA-UHFFFAOYSA-N 0 1 266.297 2.330 20 5 CEBDMN Cc1cc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])ccc1Cl ZINC000847241924 641612897 /nfs/dbraw/zinc/61/28/97/641612897.db2.gz PTRFUDXTAJRPGJ-PSASIEDQSA-N 0 1 254.673 2.252 20 5 CEBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@@H]1CC1CCCC1 ZINC000848355956 641968420 /nfs/dbraw/zinc/96/84/20/641968420.db2.gz VXDVQEBYTGBPMB-JHJVBQTASA-N 0 1 266.341 2.223 20 5 CEBDMN O=[N+]([O-])c1cc(CN[C@]23C[C@H]2COC32CCC2)cs1 ZINC000923032737 643522517 /nfs/dbraw/zinc/52/25/17/643522517.db2.gz KHFGRFFWAOHEGF-GXFFZTMASA-N 0 1 280.349 2.458 20 5 CEBDMN COC(=O)C1CC(NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000877721653 650870212 /nfs/dbraw/zinc/87/02/12/650870212.db2.gz WZIUPMCFPVQONM-UHFFFAOYSA-N 0 1 298.726 2.289 20 5 CEBDMN COC(=O)C1CC(NCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000877721867 650870007 /nfs/dbraw/zinc/87/00/07/650870007.db2.gz DRRMMBICZORMOF-UHFFFAOYSA-N 0 1 298.726 2.289 20 5 CEBDMN CCC[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccccc1 ZINC000839467370 644236860 /nfs/dbraw/zinc/23/68/60/644236860.db2.gz SBSNZCDSPKXJNZ-FRRDWIJNSA-N 0 1 262.309 2.309 20 5 CEBDMN Cc1cc([C@@H](C)NC(=O)[C@@H]2CC2[N+](=O)[O-])c(C)s1 ZINC000839516793 644242202 /nfs/dbraw/zinc/24/22/02/644242202.db2.gz KNDKBJNNPNEVRB-AVPPRXQKSA-N 0 1 268.338 2.207 20 5 CEBDMN CC(C)(C)c1ccc(CNC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC000839507863 644245420 /nfs/dbraw/zinc/24/54/20/644245420.db2.gz BTORNXCRLWFJCW-CHWSQXEVSA-N 0 1 276.336 2.266 20 5 CEBDMN O=C(Nc1ccc(O[C@H]2CC2(F)F)cc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000856185818 644597029 /nfs/dbraw/zinc/59/70/29/644597029.db2.gz TYDAKBXWZGNRRQ-MXWKQRLJSA-N 0 1 298.245 2.077 20 5 CEBDMN O=C(Nc1ccc(F)c(C2CC2)c1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839754711 644807978 /nfs/dbraw/zinc/80/79/78/644807978.db2.gz UTPDIAVLQMVCFG-ZYHUDNBSSA-N 0 1 264.256 2.307 20 5 CEBDMN O=C(OCCCC(F)(F)F)c1ccc([N+](=O)[O-])[nH]1 ZINC000762083502 645361858 /nfs/dbraw/zinc/36/18/58/645361858.db2.gz SZCXGOJKJDWCPI-UHFFFAOYSA-N 0 1 266.175 2.422 20 5 CEBDMN CC(C)[C@H]1N(C(=O)[C@@H]2CC2[N+](=O)[O-])CC12CCCCC2 ZINC000839800629 646157986 /nfs/dbraw/zinc/15/79/86/646157986.db2.gz XUVXFHGBMDAGPG-JHJVBQTASA-N 0 1 280.368 2.469 20 5 CEBDMN COC(=O)C1=CC[C@@H](NCc2ccc([N+](=O)[O-])cc2F)C1 ZINC000862466140 646470800 /nfs/dbraw/zinc/47/08/00/646470800.db2.gz NUICAMRLWYIGPJ-LLVKDONJSA-N 0 1 294.282 2.085 20 5 CEBDMN C[C@@H]1[C@H](C)N(Cc2cc(F)ccc2[N+](=O)[O-])CCN1C ZINC000771458307 646521388 /nfs/dbraw/zinc/52/13/88/646521388.db2.gz GIVCECDYALEYKI-MNOVXSKESA-N 0 1 281.331 2.258 20 5 CEBDMN O=C(NOc1ccccc1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000773464403 646742699 /nfs/dbraw/zinc/74/26/99/646742699.db2.gz CWNPPVQGDPAYRN-UHFFFAOYSA-N 0 1 298.258 2.195 20 5 CEBDMN CC(C)C[C@@H](C)NC(=O)[C@](C)(N)c1cccc([N+](=O)[O-])c1 ZINC000867979877 648009342 /nfs/dbraw/zinc/00/93/42/648009342.db2.gz PPIMSSQDWFEXNE-IAQYHMDHSA-N 0 1 293.367 2.320 20 5 CEBDMN O=[N+]([O-])CCN1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000791053344 648476528 /nfs/dbraw/zinc/47/65/28/648476528.db2.gz DOWBIJYORTXMKK-UHFFFAOYSA-N 0 1 274.324 2.019 20 5 CEBDMN C[C@H](NCC1(C)COC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872034752 649248636 /nfs/dbraw/zinc/24/86/36/649248636.db2.gz ISMQSZSUZRCOMT-VIFPVBQESA-N 0 1 268.288 2.421 20 5 CEBDMN Cc1ccc(C[N@@H+]2C[C@@H](C)[C@](C)(C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000872161627 649302224 /nfs/dbraw/zinc/30/22/24/649302224.db2.gz WESSQOLINRNFBY-IAQYHMDHSA-N 0 1 292.335 2.446 20 5 CEBDMN O=C([O-])[C@@H]1CCC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000874051509 649742901 /nfs/dbraw/zinc/74/29/01/649742901.db2.gz RAQVMIXFRGZPAM-ACVFHECNSA-N 0 1 290.319 2.405 20 5 CEBDMN C[C@@H]1CC[C@H](CO)N1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000880441103 651441857 /nfs/dbraw/zinc/44/18/57/651441857.db2.gz QDOSMYQMNLDBHQ-BXKDBHETSA-N 0 1 268.288 2.079 20 5 CEBDMN CN(C)[C@@H](CNc1ccnc(F)c1[N+](=O)[O-])c1ccco1 ZINC000881751111 651873533 /nfs/dbraw/zinc/87/35/33/651873533.db2.gz CTDDLRYUNMXXIX-JTQLQIEISA-N 0 1 294.286 2.437 20 5 CEBDMN CC[C@@H](C)N1CCN(c2ccnc(F)c2[N+](=O)[O-])CC1 ZINC000882428712 652067462 /nfs/dbraw/zinc/06/74/62/652067462.db2.gz YAYJCMSNAOMFLX-SNVBAGLBSA-N 0 1 282.319 2.049 20 5 CEBDMN Cc1c(C)c(N2C[C@@H](C)N(C)C[C@@H]2C)ncc1[N+](=O)[O-] ZINC001164642621 719210771 /nfs/dbraw/zinc/21/07/71/719210771.db2.gz WUKLWGUWUNEXQP-ZJUUUORDSA-N 0 1 278.356 2.135 20 5 CEBDMN Cc1cnc(N2CCN(C3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000078629364 721853084 /nfs/dbraw/zinc/85/30/84/721853084.db2.gz BTTRFTIWXFWGML-UHFFFAOYSA-N 0 1 290.367 2.363 20 5 CEBDMN COC[C@H]1CCCN1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000696569845 805655461 /nfs/dbraw/zinc/65/54/61/805655461.db2.gz AMCPYGDOSXOZON-LLVKDONJSA-N 0 1 268.288 2.345 20 5 CEBDMN O=[N+]([O-])c1ccc(CN2CC[C@@H]3OCC[C@@H]3C2)cc1F ZINC000724800340 803296805 /nfs/dbraw/zinc/29/68/05/803296805.db2.gz LTJWJOUWUGCHHC-RISCZKNCSA-N 0 1 280.299 2.345 20 5 CEBDMN CC[C@H]1CCCC[C@H]1N(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001127095288 807019743 /nfs/dbraw/zinc/01/97/43/807019743.db2.gz IFRCOIFPHJZMBB-IRCOFANPSA-N 0 1 254.330 2.079 20 5 CEBDMN O=[N+]([O-])c1ccsc1N[C@@H]1CN2CCC1CC2 ZINC001120891301 815291503 /nfs/dbraw/zinc/29/15/03/815291503.db2.gz YIWDVQQTQNPPLQ-SECBINFHSA-N 0 1 253.327 2.162 20 5 CEBDMN O=[N+]([O-])c1ccc(Cl)cc1CNC1CSC1 ZINC000702025249 809487781 /nfs/dbraw/zinc/48/77/81/809487781.db2.gz JICKJSJNRNMCBH-UHFFFAOYSA-N 0 1 258.730 2.453 20 5 CEBDMN C[C@@H]1C[N@H+](Cc2csc([N+](=O)[O-])c2)CC[C@@H]1NC(=O)[O-] ZINC000739185561 810159028 /nfs/dbraw/zinc/15/90/28/810159028.db2.gz AKNYSGBDBSPGOM-SCZZXKLOSA-N 0 1 299.352 2.134 20 5 CEBDMN C[C@@H]1C[N@@H+](Cc2csc([N+](=O)[O-])c2)CC[C@@H]1NC(=O)[O-] ZINC000739185561 810159034 /nfs/dbraw/zinc/15/90/34/810159034.db2.gz AKNYSGBDBSPGOM-SCZZXKLOSA-N 0 1 299.352 2.134 20 5 CEBDMN Cc1nn(CN(CC2CC2)CC2CC2)c(C)c1[N+](=O)[O-] ZINC000115514408 810598406 /nfs/dbraw/zinc/59/84/06/810598406.db2.gz IYIIYSBFGZPLQI-UHFFFAOYSA-N 0 1 278.356 2.488 20 5 CEBDMN NCc1nc2ccccc2n1[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168964193 811316988 /nfs/dbraw/zinc/31/69/88/811316988.db2.gz RTCTUJPMPXNEOO-WDEREUQCSA-N 0 1 274.324 2.113 20 5 CEBDMN NCc1nc2ccccc2n1[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168964190 811317635 /nfs/dbraw/zinc/31/76/35/811317635.db2.gz RTCTUJPMPXNEOO-GHMZBOCLSA-N 0 1 274.324 2.113 20 5 CEBDMN O=C1CC[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)[C@H]2CCCC[C@H]12 ZINC001169007585 811332857 /nfs/dbraw/zinc/33/28/57/811332857.db2.gz OIBNIIQAQUOFNJ-CRWXNKLISA-N 0 1 280.368 2.265 20 5 CEBDMN O=[N+]([O-])C[C@@H]1CC[C@H](NC2(c3ccc(F)cc3)COC2)C1 ZINC001168990413 811340083 /nfs/dbraw/zinc/34/00/83/811340083.db2.gz CMACNKVUKOQGMK-RISCZKNCSA-N 0 1 294.326 2.086 20 5 CEBDMN CN(Cc1cscn1)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169040362 811350462 /nfs/dbraw/zinc/35/04/62/811350462.db2.gz ZJPOKPIGGHRJLQ-GXSJLCMTSA-N 0 1 255.343 2.020 20 5 CEBDMN C[C@@H]1[C@@H](C)N(c2ccc([N+](=O)[O-])cc2F)CCN1C ZINC000771287896 811953946 /nfs/dbraw/zinc/95/39/46/811953946.db2.gz NFSMVNPMTHJCCC-NXEZZACHSA-N 0 1 267.304 2.263 20 5 CEBDMN COc1ccc(C[C@H](C)NCc2ccon2)c([N+](=O)[O-])c1 ZINC001170297780 812377101 /nfs/dbraw/zinc/37/71/01/812377101.db2.gz RXDRZJCYSMHOCM-JTQLQIEISA-N 0 1 291.307 2.312 20 5 CEBDMN O=[N+]([O-])c1ccc2c(c1)CC[C@@H](N1CCC13COC3)CC2 ZINC001172916096 815543518 /nfs/dbraw/zinc/54/35/18/815543518.db2.gz QPWFCYJPWHXGAN-AWEZNQCLSA-N 0 1 288.347 2.317 20 5 CEBDMN Cc1nnc(NC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)[nH]1 ZINC001143726873 813868666 /nfs/dbraw/zinc/86/86/66/813868666.db2.gz GYHRWJRABYKBJR-UHFFFAOYSA-N 0 1 299.649 2.066 20 5 CEBDMN Cc1n[nH]c(NC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)n1 ZINC001143726873 813868675 /nfs/dbraw/zinc/86/86/75/813868675.db2.gz GYHRWJRABYKBJR-UHFFFAOYSA-N 0 1 299.649 2.066 20 5 CEBDMN Cc1cnc(CN)n1[C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173233458 815633032 /nfs/dbraw/zinc/63/30/32/815633032.db2.gz IVNLEIIGAWBKJS-JTQLQIEISA-N 0 1 274.324 2.362 20 5 CEBDMN O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccc2cncn2c1 ZINC001179304334 816847790 /nfs/dbraw/zinc/84/77/90/816847790.db2.gz ORRWXSNWQIQVHW-UHFFFAOYSA-N 0 1 296.286 2.424 20 5 CEBDMN O=C(Nc1cnn2ccccc12)c1cc(O)cc([N+](=O)[O-])c1 ZINC001149493214 816868977 /nfs/dbraw/zinc/86/89/77/816868977.db2.gz QXNWIXZHIJTKSM-UHFFFAOYSA-N 0 1 298.258 2.200 20 5 CEBDMN Cc1nc(NCc2n[nH]c(C(C)C)n2)ccc1[N+](=O)[O-] ZINC000294965714 199273648 /nfs/dbraw/zinc/27/36/48/199273648.db2.gz NOCKDTJDUMYAIS-UHFFFAOYSA-N 0 1 276.300 2.152 20 5 CEBDMN C[C@H](Cn1cccn1)NCc1csc([N+](=O)[O-])c1 ZINC000037563123 361904804 /nfs/dbraw/zinc/90/48/04/361904804.db2.gz OTYBQHOYAMKUSN-SECBINFHSA-N 0 1 266.326 2.031 20 5 CEBDMN C[C@H](Cc1ccccc1[N+](=O)[O-])N(C)[C@@H](C)C[S@@](C)=O ZINC000449239440 282154354 /nfs/dbraw/zinc/15/43/54/282154354.db2.gz JMYRUYVNIVTCPU-XAAFQQQXSA-N 0 1 298.408 2.225 20 5 CEBDMN Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2CC(O)C3)cc1[N+](=O)[O-] ZINC000126616482 187251061 /nfs/dbraw/zinc/25/10/61/187251061.db2.gz SXROVKXOCJTJQP-PBWFPOADSA-N 0 1 276.336 2.391 20 5 CEBDMN CC[C@H]1[C@H](CO)CCN1Cc1csc([N+](=O)[O-])c1 ZINC000449431854 282234750 /nfs/dbraw/zinc/23/47/50/282234750.db2.gz ZJBRJZMCDGLMDA-QWRGUYRKSA-N 0 1 270.354 2.249 20 5 CEBDMN Cc1cccc(OCc2nc(C(C)(C)N)no2)c1[N+](=O)[O-] ZINC000043402671 343463721 /nfs/dbraw/zinc/46/37/21/343463721.db2.gz UYEFKRARVNWMBH-UHFFFAOYSA-N 0 1 292.295 2.059 20 5 CEBDMN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC(CO)CC1 ZINC000052819940 343565885 /nfs/dbraw/zinc/56/58/85/343565885.db2.gz ZYCBJNHPAHNQFS-NSHDSACASA-N 0 1 264.325 2.360 20 5 CEBDMN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC(CO)CC1 ZINC000052819941 343566164 /nfs/dbraw/zinc/56/61/64/343566164.db2.gz ZYCBJNHPAHNQFS-LLVKDONJSA-N 0 1 264.325 2.360 20 5 CEBDMN CN(C)[C@@H](CNc1ccc([N+](=O)[O-])cn1)c1ccco1 ZINC000060846754 343663187 /nfs/dbraw/zinc/66/31/87/343663187.db2.gz IYABPQYFDGTEQO-NSHDSACASA-N 0 1 276.296 2.298 20 5 CEBDMN C[C@H](NC(=O)[C@@H]1CCCCN1C)c1cccc([N+](=O)[O-])c1 ZINC000602070030 346968944 /nfs/dbraw/zinc/96/89/44/346968944.db2.gz HCVUGFRQNZLCBX-FZMZJTMJSA-N 0 1 291.351 2.256 20 5 CEBDMN CCN(CC)[C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000072861953 343813599 /nfs/dbraw/zinc/81/35/99/343813599.db2.gz FVIQBLNIILFTNU-JTQLQIEISA-N 0 1 295.339 2.272 20 5 CEBDMN C[C@H](NCCn1cccn1)c1ccccc1[N+](=O)[O-] ZINC000049075132 362332890 /nfs/dbraw/zinc/33/28/90/362332890.db2.gz WEUFUVGQRBIUTB-NSHDSACASA-N 0 1 260.297 2.142 20 5 CEBDMN CCC[C@@H]1CN(Cc2cc(O)ccc2[N+](=O)[O-])CCO1 ZINC000093508455 344225942 /nfs/dbraw/zinc/22/59/42/344225942.db2.gz CPTVNPQSWOSSBO-CYBMUJFWSA-N 0 1 280.324 2.301 20 5 CEBDMN Cn1cc(CN2CCC[C@@H]3CCC[C@H]32)c([N+](=O)[O-])n1 ZINC000602454615 347040695 /nfs/dbraw/zinc/04/06/95/347040695.db2.gz OKNNDTHRJKIWHH-CMPLNLGQSA-N 0 1 264.329 2.093 20 5 CEBDMN C[C@@H](CO)CN(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000121530315 344303278 /nfs/dbraw/zinc/30/32/78/344303278.db2.gz WQWXDOJXQRYVHF-LLVKDONJSA-N 0 1 264.325 2.188 20 5 CEBDMN Cc1cc(-c2nc([C@@H]3CCCN3)no2)cc([N+](=O)[O-])c1 ZINC000228560560 344560805 /nfs/dbraw/zinc/56/08/05/344560805.db2.gz IHAYGRJDKLNMJE-NSHDSACASA-N 0 1 274.280 2.378 20 5 CEBDMN C[C@@H]1C[N@@H+](Cc2csc([N+](=O)[O-])c2)CC[C@H]1C(=O)[O-] ZINC000388861581 344834271 /nfs/dbraw/zinc/83/42/71/344834271.db2.gz FYPGJUJLPRAHJL-PSASIEDQSA-N 0 1 284.337 2.199 20 5 CEBDMN O=[N+]([O-])c1cccc(F)c1N1CCc2cn[nH]c2C1 ZINC000588005156 345033991 /nfs/dbraw/zinc/03/39/91/345033991.db2.gz YQMRNLQUYNVZBY-UHFFFAOYSA-N 0 1 262.244 2.020 20 5 CEBDMN Cc1nc([C@@H](C)Nc2sccc2[N+](=O)[O-])n[nH]1 ZINC000588082536 345038203 /nfs/dbraw/zinc/03/82/03/345038203.db2.gz ZLPFQEOELPUVOF-RXMQYKEDSA-N 0 1 253.287 2.256 20 5 CEBDMN C[C@H]1CC[C@@H](C(=O)[O-])C[N@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000592396505 345350073 /nfs/dbraw/zinc/35/00/73/345350073.db2.gz QSLXKIGVGFTYNO-VHSXEESVSA-N 0 1 296.298 2.419 20 5 CEBDMN C[C@H]1CN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])C[C@H](C)N1 ZINC000070076465 290755953 /nfs/dbraw/zinc/75/59/53/290755953.db2.gz YBRRDPBXTCNHMN-IUCAKERBSA-N 0 1 297.742 2.071 20 5 CEBDMN CC[C@@H]1C[C@@H](NCc2ccccc2[N+](=O)[O-])CO1 ZINC000594926876 345705039 /nfs/dbraw/zinc/70/50/39/345705039.db2.gz XBJIJRCUAQXISA-VXGBXAGGSA-N 0 1 250.298 2.252 20 5 CEBDMN CC(C)[N@H+](CCc1cn[nH]n1)Cc1ccc([N+](=O)[O-])cc1 ZINC000595295687 345756732 /nfs/dbraw/zinc/75/67/32/345756732.db2.gz PCTBWGZHOARUPV-UHFFFAOYSA-N 0 1 289.339 2.166 20 5 CEBDMN Cc1noc(CN2CC3(C[C@@H]2C)CCOCC3)c1[N+](=O)[O-] ZINC000595556221 345812127 /nfs/dbraw/zinc/81/21/27/345812127.db2.gz AVFOTINIKOTLCY-JTQLQIEISA-N 0 1 295.339 2.282 20 5 CEBDMN CCOC(=O)[C@@H](C)[C@@H](C)NCc1ccc(F)cc1[N+](=O)[O-] ZINC000595429138 345781027 /nfs/dbraw/zinc/78/10/27/345781027.db2.gz LZPZTQNAQPPRKR-VHSXEESVSA-N 0 1 298.314 2.411 20 5 CEBDMN Cc1noc(CN2CCCCC[C@@H]2CCO)c1[N+](=O)[O-] ZINC000595474902 345791975 /nfs/dbraw/zinc/79/19/75/345791975.db2.gz HYPYXMGCTRFECY-LLVKDONJSA-N 0 1 283.328 2.018 20 5 CEBDMN C[C@@H]1CCC[N@@H+](Cc2cc([O-])ccc2[N+](=O)[O-])[C@@H]1CCO ZINC000595695385 345851551 /nfs/dbraw/zinc/85/15/51/345851551.db2.gz HFCHMWJTTLRRMD-BXUZGUMPSA-N 0 1 294.351 2.283 20 5 CEBDMN C[C@@H]1CN(Cc2ccc(F)cc2[N+](=O)[O-])C[C@@H](C)C1O ZINC000595734408 345862630 /nfs/dbraw/zinc/86/26/30/345862630.db2.gz ZNVUNUCWRWZQLT-NXEZZACHSA-N 0 1 282.315 2.183 20 5 CEBDMN O=[N+]([O-])c1cc(F)ccc1CN1CC[C@@H]2COC[C@@H]2C1 ZINC000595827859 345887584 /nfs/dbraw/zinc/88/75/84/345887584.db2.gz SUIOJAHTTFNZKR-NEPJUHHUSA-N 0 1 280.299 2.202 20 5 CEBDMN O=[N+]([O-])c1cccc(F)c1CSc1cn[nH]n1 ZINC000177381497 232354536 /nfs/dbraw/zinc/35/45/36/232354536.db2.gz XVOFDEMVWYDZGL-UHFFFAOYSA-N 0 1 254.246 2.144 20 5 CEBDMN Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H]2COC[C@H]2C1 ZINC000597231106 346155802 /nfs/dbraw/zinc/15/58/02/346155802.db2.gz NNYLBEHMMNYRHU-ZIAGYGMSSA-N 0 1 276.336 2.372 20 5 CEBDMN CCCc1[nH]nc(C(=O)N(C)C[C@@H]2CC2(C)C)c1[N+](=O)[O-] ZINC000598551806 346373576 /nfs/dbraw/zinc/37/35/76/346373576.db2.gz WQGMKFUZOPSDST-VIFPVBQESA-N 0 1 294.355 2.389 20 5 CEBDMN O=[N+]([O-])c1cccc(CN[C@H](CO)c2ccccc2)c1 ZINC000062999687 362739737 /nfs/dbraw/zinc/73/97/37/362739737.db2.gz GJTUMPKYGHDKBX-OAHLLOKOSA-N 0 1 272.304 2.418 20 5 CEBDMN CCN(CCn1c(C)ncc1[N+](=O)[O-])Cc1ccoc1 ZINC000602771639 347192143 /nfs/dbraw/zinc/19/21/43/347192143.db2.gz JQNYLKWSJMYYBE-UHFFFAOYSA-N 0 1 278.312 2.215 20 5 CEBDMN CCN(C#N)CCN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000602803578 347206116 /nfs/dbraw/zinc/20/61/16/347206116.db2.gz CUDGYMPOLYXDCZ-GFCCVEGCSA-N 0 1 276.340 2.357 20 5 CEBDMN CNC(C)(C)c1cn([C@@H](C)c2cccc([N+](=O)[O-])c2)nn1 ZINC000603186999 347303364 /nfs/dbraw/zinc/30/33/64/347303364.db2.gz ZDMATWAXXMCLER-JTQLQIEISA-N 0 1 289.339 2.250 20 5 CEBDMN CN[C@H](C)c1cn([C@H](C)c2cc([N+](=O)[O-])ccc2C)nn1 ZINC000603249314 347321321 /nfs/dbraw/zinc/32/13/21/347321321.db2.gz GQOAILACKKIEDE-GHMZBOCLSA-N 0 1 289.339 2.384 20 5 CEBDMN CCN(CCOC)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000610580952 347693676 /nfs/dbraw/zinc/69/36/76/347693676.db2.gz LAEXKGQLBDIYPW-UHFFFAOYSA-N 0 1 279.296 2.204 20 5 CEBDMN O=[N+]([O-])c1ccc(NC2CCN([C@H]3CCOC3)CC2)s1 ZINC000611165835 347746346 /nfs/dbraw/zinc/74/63/46/347746346.db2.gz ZKZHYDQACGGIIE-NSHDSACASA-N 0 1 297.380 2.322 20 5 CEBDMN C[C@@H](C[N@@H+](C)[C@@H](C)c1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC000086807836 179339231 /nfs/dbraw/zinc/33/92/31/179339231.db2.gz NSBWDRMCBHHYIA-UWVGGRQHSA-N 0 1 266.297 2.308 20 5 CEBDMN CCN(Cc1ccc(Cl)cc1[N+](=O)[O-])[C@H](C)CO ZINC000339635491 215280806 /nfs/dbraw/zinc/28/08/06/215280806.db2.gz ZOCDRZAARTUWRX-SECBINFHSA-N 0 1 272.732 2.451 20 5 CEBDMN CC(C)[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(C)C ZINC000106408547 186114867 /nfs/dbraw/zinc/11/48/67/186114867.db2.gz HCRHGAWLUKWXIS-LBPRGKRZSA-N 0 1 265.313 2.120 20 5 CEBDMN CCN(CC)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000072557628 363144746 /nfs/dbraw/zinc/14/47/46/363144746.db2.gz BCEFGRXBRNCOAN-ZDUSSCGKSA-N 0 1 277.324 2.042 20 5 CEBDMN C[C@H]1CN(CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000072873075 363174876 /nfs/dbraw/zinc/17/48/76/363174876.db2.gz HDHPUBPMXDPHBN-QWRGUYRKSA-N 0 1 277.324 2.121 20 5 CEBDMN CC(C)N1C[C@@H](N[C@H](C)c2ccc([N+](=O)[O-])cc2)CC1=O ZINC000271535153 191197534 /nfs/dbraw/zinc/19/75/34/191197534.db2.gz SPVGHQNZABCYJA-YPMHNXCESA-N 0 1 291.351 2.255 20 5 CEBDMN CCCc1[nH]nc(C(=O)N2CC[C@@H](C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000132012646 366110125 /nfs/dbraw/zinc/11/01/25/366110125.db2.gz SGDUEGQWWSTHGS-ZJUUUORDSA-N 0 1 294.355 2.389 20 5 CEBDMN Cc1cc(C[C@H](C)Nc2nc(C)ccc2[N+](=O)[O-])[nH]n1 ZINC000133492975 366229700 /nfs/dbraw/zinc/22/97/00/366229700.db2.gz NDSFOCAHIJHWQK-VIFPVBQESA-N 0 1 275.312 2.373 20 5 CEBDMN C[C@@H]1CC[N@@H+](Cc2ccccc2[N+](=O)[O-])C[C@@H]1C(=O)[O-] ZINC000570514528 299261644 /nfs/dbraw/zinc/26/16/44/299261644.db2.gz OZSYFKOPEYKYCG-PWSUYJOCSA-N 0 1 278.308 2.137 20 5 CEBDMN CCCN(Cc1c([N+](=O)[O-])ncn1C)CC(C)C ZINC000355547808 283291811 /nfs/dbraw/zinc/29/18/11/283291811.db2.gz AEIXBDZBSXYAHI-UHFFFAOYSA-N 0 1 254.334 2.196 20 5 CEBDMN CCCN(C)C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC000294835829 199205061 /nfs/dbraw/zinc/20/50/61/199205061.db2.gz XUMVMMFFMQQUCI-UHFFFAOYSA-N 0 1 288.307 2.467 20 5 CEBDMN O=C(NCc1cccc([N+](=O)[O-])c1)c1ccc2cncn2c1 ZINC000577893046 366414203 /nfs/dbraw/zinc/41/42/03/366414203.db2.gz YDVYAEUFUBVPPP-UHFFFAOYSA-N 0 1 296.286 2.173 20 5 CEBDMN CCc1nc(CNc2cc(OC)c(F)cc2[N+](=O)[O-])n[nH]1 ZINC000294901916 199239369 /nfs/dbraw/zinc/23/93/69/199239369.db2.gz IFLFBARBTHSPPX-UHFFFAOYSA-N 0 1 295.274 2.035 20 5 CEBDMN Cc1cccc([N+](=O)[O-])c1N1C[C@@H](C)N(C)[C@H](C)C1 ZINC000338786867 366522088 /nfs/dbraw/zinc/52/20/88/366522088.db2.gz QFIISZWMFJNVCN-VXGBXAGGSA-N 0 1 263.341 2.432 20 5 CEBDMN O=[N+]([O-])c1ccc([O-])cc1C[N@H+]1CCC2(C1)CCOCC2 ZINC000339009522 366612078 /nfs/dbraw/zinc/61/20/78/366612078.db2.gz KWQAVWAWVFYNNJ-UHFFFAOYSA-N 0 1 292.335 2.303 20 5 CEBDMN C[C@H](NCc1cc(O)ccc1[N+](=O)[O-])c1ccon1 ZINC000339089448 366647916 /nfs/dbraw/zinc/64/79/16/366647916.db2.gz PVHZFEAROIJQRC-QMMMGPOBSA-N 0 1 263.253 2.139 20 5 CEBDMN CCOC[C@H]1CCN(Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000081520721 363724498 /nfs/dbraw/zinc/72/44/98/363724498.db2.gz SUPMREOMKMRYFO-ZDUSSCGKSA-N 0 1 294.351 2.462 20 5 CEBDMN COc1ccc(CN2CCC[C@]23CCOC3)cc1[N+](=O)[O-] ZINC000341967354 216171854 /nfs/dbraw/zinc/17/18/54/216171854.db2.gz LHHLGPGVTWOSAU-OAHLLOKOSA-N 0 1 292.335 2.358 20 5 CEBDMN O=[N+]([O-])c1ccc(CN(Cc2cnc[nH]2)C2CC2)cc1 ZINC000179317639 189185628 /nfs/dbraw/zinc/18/56/28/189185628.db2.gz WFMWRLXEGIWLAD-UHFFFAOYSA-N 0 1 272.308 2.483 20 5 CEBDMN C[C@@]1(O)CCN(C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000180186416 189241994 /nfs/dbraw/zinc/24/19/94/189241994.db2.gz ORMWGPSTEBJTDP-YVARQFDVSA-N 0 1 262.309 2.065 20 5 CEBDMN C[C@H](c1ccccc1[N+](=O)[O-])N1CCC(OCCO)CC1 ZINC000339783321 366715884 /nfs/dbraw/zinc/71/58/84/366715884.db2.gz QIZWSLZGSLVVCE-GFCCVEGCSA-N 0 1 294.351 2.129 20 5 CEBDMN O=C([O-])[C@@H]1CCCC[N@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000035308495 304105570 /nfs/dbraw/zinc/10/55/70/304105570.db2.gz PKTZRVZGNUBHTJ-LBPRGKRZSA-N 0 1 282.271 2.173 20 5 CEBDMN CN(CCN1CCCC1)c1c(F)cc([N+](=O)[O-])cc1F ZINC000301771203 201185469 /nfs/dbraw/zinc/18/54/69/201185469.db2.gz FSHPEXWKCBLHFG-UHFFFAOYSA-N 0 1 285.294 2.405 20 5 CEBDMN CCCCN(C)CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000023991595 361604653 /nfs/dbraw/zinc/60/46/53/361604653.db2.gz WNKQYTAHEMUUGS-UHFFFAOYSA-N 0 1 295.339 2.274 20 5 CEBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@@]2(CC=CCC2)C1 ZINC000377668451 296073465 /nfs/dbraw/zinc/07/34/65/296073465.db2.gz MYGLLXPFBGHWHJ-BZPMIXESSA-N 0 1 264.325 2.001 20 5 CEBDMN CC[C@H]1COCCN1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000115572978 365014806 /nfs/dbraw/zinc/01/48/06/365014806.db2.gz HTTKIKGPPPBBMV-ZDUSSCGKSA-N 0 1 294.351 2.475 20 5 CEBDMN C[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])C1CCCCC1 ZINC000119186464 365231966 /nfs/dbraw/zinc/23/19/66/365231966.db2.gz CZXAQNRSPJJZKG-QMMMGPOBSA-N 0 1 266.301 2.017 20 5 CEBDMN O=C(N[C@H]1CCC[C@H]1F)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000340837038 367050513 /nfs/dbraw/zinc/05/05/13/367050513.db2.gz ZNFTVMYNWUFKQT-KOLCDFICSA-N 0 1 292.270 2.092 20 5 CEBDMN O=C(N[C@@H]1CCC[C@H]1F)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000340837039 367050563 /nfs/dbraw/zinc/05/05/63/367050563.db2.gz ZNFTVMYNWUFKQT-MWLCHTKSSA-N 0 1 292.270 2.092 20 5 CEBDMN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC[C@@H]1C ZINC000245452441 370822950 /nfs/dbraw/zinc/82/29/50/370822950.db2.gz QIUWFJUXQSGHPW-WDEREUQCSA-N 0 1 277.324 2.406 20 5 CEBDMN COCC(C)(C)NCc1c(F)cccc1[N+](=O)[O-] ZINC000170900413 367444164 /nfs/dbraw/zinc/44/41/64/367444164.db2.gz JFZBZJZLKGSNPI-UHFFFAOYSA-N 0 1 256.277 2.249 20 5 CEBDMN CCCc1[nH]nc(C(=O)N(CC)CC(C)C)c1[N+](=O)[O-] ZINC000172335046 367720360 /nfs/dbraw/zinc/72/03/60/367720360.db2.gz VTELULBKZRYIIU-UHFFFAOYSA-N 0 1 282.344 2.389 20 5 CEBDMN COc1cc(CN[C@H](C)c2cnn(C)c2)ccc1[N+](=O)[O-] ZINC000348314728 368997746 /nfs/dbraw/zinc/99/77/46/368997746.db2.gz ZQDUDPJPUIABQT-SNVBAGLBSA-N 0 1 290.323 2.188 20 5 CEBDMN CO[C@H]1CN(Cc2cccc([N+](=O)[O-])c2)CC[C@H]1C ZINC000189282038 369488804 /nfs/dbraw/zinc/48/88/04/369488804.db2.gz QKNYNJKEYGQIBR-RISCZKNCSA-N 0 1 264.325 2.452 20 5 CEBDMN CCN(C)C(=O)[C@@H](C)N[C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000189410054 369513056 /nfs/dbraw/zinc/51/30/56/369513056.db2.gz NCCIAVGUKCGMDT-NWDGAFQWSA-N 0 1 293.367 2.421 20 5 CEBDMN CCc1[nH]nc(C(=O)N2CC[C@H](C)[C@H]2CC)c1[N+](=O)[O-] ZINC000192906611 369870806 /nfs/dbraw/zinc/87/08/06/369870806.db2.gz CRWPXDZSKFIPEY-WCBMZHEXSA-N 0 1 280.328 2.141 20 5 CEBDMN Cc1c(CN2CC[C@@H](C)[C@@H](O)C2)cccc1[N+](=O)[O-] ZINC000221449329 370241645 /nfs/dbraw/zinc/24/16/45/370241645.db2.gz HLJCOUVABXNRCN-YGRLFVJLSA-N 0 1 264.325 2.106 20 5 CEBDMN C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](C(=O)[O-])C1 ZINC000226446021 370342414 /nfs/dbraw/zinc/34/24/14/370342414.db2.gz WUFCKYWDSUJLGA-NXEZZACHSA-N 0 1 264.281 2.062 20 5 CEBDMN COc1cc(NCCN2CCSCC2)ccc1[N+](=O)[O-] ZINC000230905106 370470092 /nfs/dbraw/zinc/47/00/92/370470092.db2.gz RIGIJBKJQXLUIC-UHFFFAOYSA-N 0 1 297.380 2.064 20 5 CEBDMN C[C@H]1CCC[C@@H](N(C)Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000355550076 370596774 /nfs/dbraw/zinc/59/67/74/370596774.db2.gz FQXKWKLJUYTCAE-WDEREUQCSA-N 0 1 266.345 2.339 20 5 CEBDMN CO[C@@H]1CN(Cc2cccc([N+](=O)[O-])c2)CC[C@@H]1C ZINC000251892703 371423074 /nfs/dbraw/zinc/42/30/74/371423074.db2.gz QKNYNJKEYGQIBR-SMDDNHRTSA-N 0 1 264.325 2.452 20 5 CEBDMN CC(C)CN(C)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000269204289 372376157 /nfs/dbraw/zinc/37/61/57/372376157.db2.gz SKRDDKRCMZHEPA-UHFFFAOYSA-N 0 1 252.270 2.028 20 5 CEBDMN O=C(NC[C@H]1CC=CCC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000269207091 372377743 /nfs/dbraw/zinc/37/77/43/372377743.db2.gz URLWRHIXHHCHQE-JTQLQIEISA-N 0 1 276.292 2.387 20 5 CEBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@@H]1CCc1ccccc1 ZINC000365299865 372821697 /nfs/dbraw/zinc/82/16/97/372821697.db2.gz QUVRFCSFITWCKE-RBSFLKMASA-N 0 1 288.347 2.275 20 5 CEBDMN CC[C@@H](NCc1cccc([N+](=O)[O-])c1)[C@@H](O)C(F)(F)F ZINC000271036106 373083800 /nfs/dbraw/zinc/08/38/00/373083800.db2.gz YEMVBXXWVFGFLM-GHMZBOCLSA-N 0 1 292.257 2.386 20 5 CEBDMN O=C(N[C@@H]1CC[C@H](c2ccccc2F)C1)[C@H]1CC1[N+](=O)[O-] ZINC000369532364 373446551 /nfs/dbraw/zinc/44/65/51/373446551.db2.gz OKPYBSOBANMNGK-QPPBUOOMSA-N 0 1 292.310 2.243 20 5 CEBDMN Cc1ccccc1[C@H]1C[C@H](NC(=O)[C@H]2CC2[N+](=O)[O-])C1 ZINC000370535008 373678932 /nfs/dbraw/zinc/67/89/32/373678932.db2.gz IDCGMWKNVWSEJP-AUZPSNTRSA-N 0 1 274.320 2.022 20 5 CEBDMN Cc1cc(C2CCN(c3ncccc3[N+](=O)[O-])CC2)[nH]n1 ZINC000273458989 373757887 /nfs/dbraw/zinc/75/78/87/373757887.db2.gz IFHROGOISPQPTR-UHFFFAOYSA-N 0 1 287.323 2.405 20 5 CEBDMN CCOc1cc(CN2CCN(CC)CC2)ccc1[N+](=O)[O-] ZINC000276931144 374349568 /nfs/dbraw/zinc/34/95/68/374349568.db2.gz QVIGEGLOLMBMTD-UHFFFAOYSA-N 0 1 293.367 2.131 20 5 CEBDMN C[C@@H]1[C@@H](CO)CCN1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000385911599 375249795 /nfs/dbraw/zinc/24/97/95/375249795.db2.gz RCAHKWDARZRECY-MWLCHTKSSA-N 0 1 284.743 2.451 20 5 CEBDMN CC[C@@H](N[C@@H](C)C(=O)NCCF)c1cccc([N+](=O)[O-])c1 ZINC000282937041 375617962 /nfs/dbraw/zinc/61/79/62/375617962.db2.gz YQIXRXFLUGIUQK-GXFFZTMASA-N 0 1 297.330 2.110 20 5 CEBDMN CC[C@@H](CNC(=O)c1n[nH]cc1[N+](=O)[O-])CC(F)(F)F ZINC000412637180 375636244 /nfs/dbraw/zinc/63/62/44/375636244.db2.gz NKYBCLIKALYTCF-ZCFIWIBFSA-N 0 1 294.233 2.026 20 5 CEBDMN NC1(c2noc(-c3c[nH]c4cc([N+](=O)[O-])ccc34)n2)CCC1 ZINC000414627216 375885982 /nfs/dbraw/zinc/88/59/82/375885982.db2.gz LREGINMYPRJZEH-UHFFFAOYSA-N 0 1 299.290 2.464 20 5 CEBDMN CCCN(CCN1CCCC1)c1ncc([N+](=O)[O-])s1 ZINC000286444372 375955215 /nfs/dbraw/zinc/95/52/15/375955215.db2.gz SUVSMUGYPFHSQQ-UHFFFAOYSA-N 0 1 284.385 2.364 20 5 CEBDMN CC[C@@H]1CN(Cc2cc(O)ccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000330430090 377127996 /nfs/dbraw/zinc/12/79/96/377127996.db2.gz MHLDDGSTMPQVPX-ZWNOBZJWSA-N 0 1 280.324 2.300 20 5 CEBDMN C[C@@]1(CCCO)CCC[N@H+]1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000330460446 377144833 /nfs/dbraw/zinc/14/48/33/377144833.db2.gz VPKVEFVSCSRKQL-HNNXBMFYSA-N 0 1 294.351 2.427 20 5 CEBDMN Cc1[nH]nc(C(=O)N2[C@H](C)C[C@@H]3CCCC[C@@H]32)c1[N+](=O)[O-] ZINC000265579752 190191395 /nfs/dbraw/zinc/19/13/95/190191395.db2.gz IFEJKHNBYDVOLS-MIMYLULJSA-N 0 1 292.339 2.420 20 5 CEBDMN CN(CCc1cnn(C)c1)Cc1ccccc1[N+](=O)[O-] ZINC000265833450 190211086 /nfs/dbraw/zinc/21/10/86/190211086.db2.gz LHEYIANLBODRKM-UHFFFAOYSA-N 0 1 274.324 2.003 20 5 CEBDMN CN(c1ccc([N+](=O)[O-])cc1F)[C@@H]1CCCN(C)C1 ZINC000266007009 190222516 /nfs/dbraw/zinc/22/25/16/190222516.db2.gz MHRPRGPQBIWLFH-LLVKDONJSA-N 0 1 267.304 2.264 20 5 CEBDMN Cc1cc(CC(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC000295264712 378076502 /nfs/dbraw/zinc/07/65/02/378076502.db2.gz GHPRZENTQVNTCP-JTQLQIEISA-N 0 1 288.307 2.046 20 5 CEBDMN CCCc1[nH]nc(C(=O)N2CCC[C@@](C)(F)C2)c1[N+](=O)[O-] ZINC000295454473 378165657 /nfs/dbraw/zinc/16/56/57/378165657.db2.gz GQXDHIYXUNNUIZ-CYBMUJFWSA-N 0 1 298.318 2.235 20 5 CEBDMN C[C@H](O)CCN(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000450604466 378496015 /nfs/dbraw/zinc/49/60/15/378496015.db2.gz WOMZXZJUVPSPHK-NSHDSACASA-N 0 1 264.325 2.330 20 5 CEBDMN O=[N+]([O-])c1ccc(N2CCN(CC3CC3)CC2)c(F)c1 ZINC000298764527 378825295 /nfs/dbraw/zinc/82/52/95/378825295.db2.gz YFZPEUFZVWXEIV-UHFFFAOYSA-N 0 1 279.315 2.266 20 5 CEBDMN CCCN(C)CC(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000346973339 218074625 /nfs/dbraw/zinc/07/46/25/218074625.db2.gz DDSHWBWGZGDUCH-UHFFFAOYSA-N 0 1 279.340 2.492 20 5 CEBDMN Cc1c(NC(=O)NC[C@@H]2CCC[N@@H+]2C)cccc1[N+](=O)[O-] ZINC000299262360 378946844 /nfs/dbraw/zinc/94/68/44/378946844.db2.gz VWALNXGUPATICP-NSHDSACASA-N 0 1 292.339 2.119 20 5 CEBDMN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCN(C)CC1 ZINC000347340288 218194822 /nfs/dbraw/zinc/19/48/22/218194822.db2.gz NVDFGHDUFHHNND-JLHYYAGUSA-N 0 1 275.352 2.246 20 5 CEBDMN COCCN(Cc1cccc([N+](=O)[O-])c1C)[C@@H]1CCOC1 ZINC000490045818 380230515 /nfs/dbraw/zinc/23/05/15/380230515.db2.gz HMLUTLBUHAMKJY-CQSZACIVSA-N 0 1 294.351 2.141 20 5 CEBDMN Cc1cc(N2CCC(O)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000228453862 394475763 /nfs/dbraw/zinc/47/57/63/394475763.db2.gz AZRRRQDMZPOMEK-UHFFFAOYSA-N 0 1 287.319 2.413 20 5 CEBDMN CC(C)(O)[C@H]1CCC[N@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000305179816 394498797 /nfs/dbraw/zinc/49/87/97/394498797.db2.gz MZDUWIVVSGDMLW-CYBMUJFWSA-N 0 1 282.315 2.469 20 5 CEBDMN CC(C)(O)[C@H]1CCCN1Cc1c(F)cccc1[N+](=O)[O-] ZINC000305179816 394498800 /nfs/dbraw/zinc/49/88/00/394498800.db2.gz MZDUWIVVSGDMLW-CYBMUJFWSA-N 0 1 282.315 2.469 20 5 CEBDMN Cc1nc([C@H]2CCN(c3c(F)cccc3[N+](=O)[O-])C2)n[nH]1 ZINC000413560225 394584024 /nfs/dbraw/zinc/58/40/24/394584024.db2.gz ZOLPNWKZBBBHIW-VIFPVBQESA-N 0 1 291.286 2.154 20 5 CEBDMN Cc1nnc([C@H]2CCN(c3c(F)cccc3[N+](=O)[O-])C2)[nH]1 ZINC000413560225 394584027 /nfs/dbraw/zinc/58/40/27/394584027.db2.gz ZOLPNWKZBBBHIW-VIFPVBQESA-N 0 1 291.286 2.154 20 5 CEBDMN CC1(C)CCC[N@H+]1CCNc1ncc([N+](=O)[O-])cc1F ZINC000413328038 394527402 /nfs/dbraw/zinc/52/74/02/394527402.db2.gz WSUQEOQBFWEPSG-UHFFFAOYSA-N 0 1 282.319 2.415 20 5 CEBDMN C[C@@H](O)CCN(C)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000266561554 394666740 /nfs/dbraw/zinc/66/67/40/394666740.db2.gz XTOVIYQZVVQSEC-MNOVXSKESA-N 0 1 252.314 2.359 20 5 CEBDMN CC(C)CNC(=O)[C@@H](C)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000079309488 394631278 /nfs/dbraw/zinc/63/12/78/394631278.db2.gz QIWWERSQQTXAQF-NWDGAFQWSA-N 0 1 293.367 2.406 20 5 CEBDMN C[C@@H]1[C@H](C)N(Cc2ccc([N+](=O)[O-])cc2F)CCN1C ZINC000357008829 394680108 /nfs/dbraw/zinc/68/01/08/394680108.db2.gz VDHQVWHWZVCJJZ-MNOVXSKESA-N 0 1 281.331 2.258 20 5 CEBDMN CC(C)c1[nH]nc(C(=O)N2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000269368719 394717379 /nfs/dbraw/zinc/71/73/79/394717379.db2.gz YDRXZYKJPDBTHE-SECBINFHSA-N 0 1 280.328 2.313 20 5 CEBDMN O=C(NCc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1O ZINC000123550478 394829095 /nfs/dbraw/zinc/82/90/95/394829095.db2.gz BSADKPVNUKJJRM-UHFFFAOYSA-N 0 1 290.250 2.370 20 5 CEBDMN COCCN1[C@H](C)CN(c2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000131920864 394922063 /nfs/dbraw/zinc/92/20/63/394922063.db2.gz RNPNYWGXMYXNIR-BETUJISGSA-N 0 1 293.367 2.140 20 5 CEBDMN CCC[C@@H]1CNCCN1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000415510802 394940025 /nfs/dbraw/zinc/94/00/25/394940025.db2.gz ZUZLPDOBTRBOFH-CYBMUJFWSA-N 0 1 292.339 2.201 20 5 CEBDMN Cc1c(C[N@H+]2CCCC[C@H](CO)C2)cccc1[N+](=O)[O-] ZINC000374035044 395070924 /nfs/dbraw/zinc/07/09/24/395070924.db2.gz BQGODCZALMFAKP-ZDUSSCGKSA-N 0 1 278.352 2.498 20 5 CEBDMN Cc1n[nH]cc1[C@@H](C)NCc1ccc([N+](=O)[O-])cc1 ZINC000180826046 395206592 /nfs/dbraw/zinc/20/65/92/395206592.db2.gz MBBRYFGUXIIPFT-SECBINFHSA-N 0 1 260.297 2.477 20 5 CEBDMN CC(C)c1[nH]nc(C(=O)N2CCC(C)(C)C2)c1[N+](=O)[O-] ZINC000408399258 395298753 /nfs/dbraw/zinc/29/87/53/395298753.db2.gz GGCPHVRROCLBET-UHFFFAOYSA-N 0 1 280.328 2.313 20 5 CEBDMN CCn1nc(C)c([N+](=O)[O-])c1N[C@H]1CC[N@H+](C(C)C)C1 ZINC000192535281 395386559 /nfs/dbraw/zinc/38/65/59/395386559.db2.gz HDWUAALLDZSHTJ-NSHDSACASA-N 0 1 281.360 2.014 20 5 CEBDMN CC(C)N(Cc1ccccc1[N+](=O)[O-])C[C@H]1CCC(=O)N1 ZINC000412071753 395347753 /nfs/dbraw/zinc/34/77/53/395347753.db2.gz HUNBCJQEDODLGT-CYBMUJFWSA-N 0 1 291.351 2.084 20 5 CEBDMN Cc1nnc(NC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])[nH]1 ZINC000446090762 395485435 /nfs/dbraw/zinc/48/54/35/395485435.db2.gz MHJOXOAIZMKKHK-UHFFFAOYSA-N 0 1 295.686 2.235 20 5 CEBDMN CC(C)c1[nH]nc(C(=O)N2CCC[C@@H](F)C2)c1[N+](=O)[O-] ZINC000568138617 395549504 /nfs/dbraw/zinc/54/95/04/395549504.db2.gz RNJNZSKROAUMRX-MRVPVSSYSA-N 0 1 284.291 2.015 20 5 CEBDMN CCC[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])C1CCC1 ZINC000458336786 395644620 /nfs/dbraw/zinc/64/46/20/395644620.db2.gz QTUSEUCTUPRVLX-VIFPVBQESA-N 0 1 266.301 2.017 20 5 CEBDMN COCCCCN(C)Cc1ccc([N+](=O)[O-])cc1OC ZINC000419387184 400568803 /nfs/dbraw/zinc/56/88/03/400568803.db2.gz MYPRZKHYYDBDES-UHFFFAOYSA-N 0 1 282.340 2.462 20 5 CEBDMN CC1CCN(CCNc2ncc([N+](=O)[O-])s2)CC1 ZINC000189683993 153106991 /nfs/dbraw/zinc/10/69/91/153106991.db2.gz FUFVZJWGSVVFIT-UHFFFAOYSA-N 0 1 270.358 2.195 20 5 CEBDMN O=[N+]([O-])c1ccc(CN2C[C@@H]3CC[C@@H](O)[C@@H]3C2)c(Cl)c1 ZINC000228104744 153359827 /nfs/dbraw/zinc/35/98/27/153359827.db2.gz SPOAWTOSWUHZQN-MRCXROJRSA-N 0 1 296.754 2.451 20 5 CEBDMN Cc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC000263062127 154013272 /nfs/dbraw/zinc/01/32/72/154013272.db2.gz MWNOIPJQEUFOQX-MFKMUULPSA-N 0 1 292.335 2.446 20 5 CEBDMN CCc1[nH]nc(C(=O)N2CCC3(CCC3)CC2)c1[N+](=O)[O-] ZINC000367425148 156182413 /nfs/dbraw/zinc/18/24/13/156182413.db2.gz BAMZFKJBHFVLQN-UHFFFAOYSA-N 0 1 292.339 2.287 20 5 CEBDMN Cc1nccc(-c2ccc(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])cc2)n1 ZINC000368751503 156397708 /nfs/dbraw/zinc/39/77/08/156397708.db2.gz BXYDGSUGRDJBNT-TZMCWYRMSA-N 0 1 298.302 2.056 20 5 CEBDMN COc1ccc(CNCc2cccc([N+](=O)[O-])c2)cn1 ZINC000020186488 171050098 /nfs/dbraw/zinc/05/00/98/171050098.db2.gz BUWFCBORNDEFSQ-UHFFFAOYSA-N 0 1 273.292 2.288 20 5 CEBDMN COc1ccc(CNCc2ccc([N+](=O)[O-])cc2)cn1 ZINC000020186490 171050206 /nfs/dbraw/zinc/05/02/06/171050206.db2.gz NWBYSSWJRYIQJL-UHFFFAOYSA-N 0 1 273.292 2.288 20 5 CEBDMN C[C@@H](NC[C@@H](O)C(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000222632427 414845175 /nfs/dbraw/zinc/84/51/75/414845175.db2.gz RTGOUSDGAUDLKD-GMSGAONNSA-N 0 1 278.230 2.169 20 5 CEBDMN CCN(CC)CC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000046444100 175396101 /nfs/dbraw/zinc/39/61/01/175396101.db2.gz TUJMMVVNOMAXHZ-UHFFFAOYSA-N 0 1 265.313 2.184 20 5 CEBDMN C[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)[C@H]1C(=O)[O-] ZINC000300292381 287355669 /nfs/dbraw/zinc/35/56/69/287355669.db2.gz CZCCKICIHZFCIS-ZWNOBZJWSA-N 0 1 278.308 2.280 20 5 CEBDMN COCCN1CCN(c2cccc(C)c2[N+](=O)[O-])C[C@H]1C ZINC000275426512 274031273 /nfs/dbraw/zinc/03/12/73/274031273.db2.gz IIMZMAGHRVRKBQ-CYBMUJFWSA-N 0 1 293.367 2.060 20 5 CEBDMN CCN1CCCN(C(=O)c2c(C)cccc2[N+](=O)[O-])CC1 ZINC000278058430 276163758 /nfs/dbraw/zinc/16/37/58/276163758.db2.gz UQVQBXLGGDGBIG-UHFFFAOYSA-N 0 1 291.351 2.071 20 5 CEBDMN CN1CCCN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000020217818 277049797 /nfs/dbraw/zinc/04/97/97/277049797.db2.gz VCKPRSGOWFYOCH-UHFFFAOYSA-N 0 1 297.742 2.026 20 5 CEBDMN C[C@@H]1CN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])C[C@@H](C)N1 ZINC000070076466 288010798 /nfs/dbraw/zinc/01/07/98/288010798.db2.gz YBRRDPBXTCNHMN-RKDXNWHRSA-N 0 1 297.742 2.071 20 5 CEBDMN Cc1c(NC(=O)c2ncccc2O)cccc1[N+](=O)[O-] ZINC000122493305 279781071 /nfs/dbraw/zinc/78/10/71/279781071.db2.gz SUAQWERLQGIVJV-UHFFFAOYSA-N 0 1 273.248 2.256 20 5 CEBDMN C[C@H]1CC[C@@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000444483098 281607952 /nfs/dbraw/zinc/60/79/52/281607952.db2.gz NIUNYRXPHLGVQF-WCBMZHEXSA-N 0 1 264.281 2.219 20 5 CEBDMN C=Cn1cc(CNCc2ccc(OC)c([N+](=O)[O-])c2)cn1 ZINC000447818964 281870310 /nfs/dbraw/zinc/87/03/10/281870310.db2.gz VUBLZBHDIAKOJJ-UHFFFAOYSA-N 0 1 288.307 2.190 20 5 CEBDMN Cc1ccc([N+](=O)[O-])c(N2CCN(C)[C@@H](C(C)C)C2)n1 ZINC000487063958 290330520 /nfs/dbraw/zinc/33/05/20/290330520.db2.gz BCSBGSKXMDHBLP-CYBMUJFWSA-N 0 1 278.356 2.075 20 5 CEBDMN C[N@@H+](CCCCC(=O)[O-])CCc1cccc([N+](=O)[O-])c1 ZINC000576592449 314291655 /nfs/dbraw/zinc/29/16/55/314291655.db2.gz ZSWTZXPQCPGHSM-UHFFFAOYSA-N 0 1 280.324 2.324 20 5 CEBDMN Cc1c(CN(C)[C@@H]2CCOC2)cccc1[N+](=O)[O-] ZINC000106883390 533843892 /nfs/dbraw/zinc/84/38/92/533843892.db2.gz CGWFJWMYUTVJEQ-GFCCVEGCSA-N 0 1 250.298 2.124 20 5 CEBDMN CC(C)C[N@@H+](CC(=O)[O-])Cc1ccccc1[N+](=O)[O-] ZINC000062743368 519711878 /nfs/dbraw/zinc/71/18/78/519711878.db2.gz SDMUPNUPGUOXRP-UHFFFAOYSA-N 0 1 266.297 2.137 20 5 CEBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC2(CCCCC2)CC1 ZINC000359934142 534601767 /nfs/dbraw/zinc/60/17/67/534601767.db2.gz HTHFOCZBXJDWDE-NEPJUHHUSA-N 0 1 266.341 2.225 20 5 CEBDMN CC(C)NC(=O)CN[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192617116 529132858 /nfs/dbraw/zinc/13/28/58/529132858.db2.gz KVAAQAXSEJITPZ-CQSZACIVSA-N 0 1 291.351 2.086 20 5 CEBDMN CCN(CC)C(=O)CNC/C=C\c1ccccc1[N+](=O)[O-] ZINC000726606192 574428059 /nfs/dbraw/zinc/42/80/59/574428059.db2.gz CMDILJFXVWVOFM-CLFYSBASSA-N 0 1 291.351 2.066 20 5 CEBDMN C[C@@H](C[N@H+](Cc1c(F)cccc1[N+](=O)[O-])C1CC1)C(=O)[O-] ZINC000736583058 574792882 /nfs/dbraw/zinc/79/28/82/574792882.db2.gz JNLBSSREOMFRNZ-VIFPVBQESA-N 0 1 296.298 2.419 20 5 CEBDMN C[C@@H](C[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])C1CC1)C(=O)[O-] ZINC000736583058 574792883 /nfs/dbraw/zinc/79/28/83/574792883.db2.gz JNLBSSREOMFRNZ-VIFPVBQESA-N 0 1 296.298 2.419 20 5 CEBDMN C[C@@H](C(=O)[O-])[N@@H+](C)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000817779627 597259695 /nfs/dbraw/zinc/25/96/95/597259695.db2.gz SKHZFJAFLSPTAE-ZETCQYMHSA-N 0 1 272.688 2.153 20 5 CEBDMN C[C@H]1C[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C[C@H]1C(=O)[O-] ZINC000828457384 604789873 /nfs/dbraw/zinc/78/98/73/604789873.db2.gz TXTDLQLSDCJURV-WCBMZHEXSA-N 0 1 298.726 2.401 20 5 CEBDMN C[C@@]1(C2CC2)COCCN1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000934480821 624529265 /nfs/dbraw/zinc/52/92/65/624529265.db2.gz ZGYDUSQHKUXXIP-HNNXBMFYSA-N 0 1 292.335 2.301 20 5 CEBDMN C[C@@H](N(C)Cc1cc(F)ccc1[N+](=O)[O-])C(C)(C)O ZINC000295212090 628038988 /nfs/dbraw/zinc/03/89/88/628038988.db2.gz URZITHRLIALADC-SECBINFHSA-N 0 1 270.304 2.325 20 5 CEBDMN C[C@@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])c1cccc(F)c1 ZINC000840670957 629297132 /nfs/dbraw/zinc/29/71/32/629297132.db2.gz NQYQOJZAKWUTPK-AVPPRXQKSA-N 0 1 253.229 2.095 20 5 CEBDMN C[C@@H]1CN(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)CCN1 ZINC000841232173 629774750 /nfs/dbraw/zinc/77/47/50/629774750.db2.gz BEDJAFOIBUSJIN-MRVPVSSYSA-N 0 1 298.730 2.074 20 5 CEBDMN CN1CC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000928553150 629962752 /nfs/dbraw/zinc/96/27/52/629962752.db2.gz YDPPOIVNNAGXJO-GFCCVEGCSA-N 0 1 299.330 2.182 20 5 CEBDMN Cc1ccc2c(c1)CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C(C)(C)C2 ZINC000840466992 634795681 /nfs/dbraw/zinc/79/56/81/634795681.db2.gz PDQMQCAXQAAPBY-ZIAGYGMSSA-N 0 1 288.347 2.324 20 5 CEBDMN CC(C)Oc1nc(N[C@H]2CC[N@@H+](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000895736536 630326643 /nfs/dbraw/zinc/32/66/43/630326643.db2.gz KLNSZKIOUBXIJX-MNOVXSKESA-N 0 1 294.355 2.282 20 5 CEBDMN CC(C)C1(c2ccccc2)CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839887916 631073766 /nfs/dbraw/zinc/07/37/66/631073766.db2.gz PDAOJAMAOVJQFW-ZIAGYGMSSA-N 0 1 288.347 2.088 20 5 CEBDMN C[C@H]1C[C@H](NCCc2ccccc2[N+](=O)[O-])c2ncnn21 ZINC000925151952 631091670 /nfs/dbraw/zinc/09/16/70/631091670.db2.gz FWLBHTOMPIZWHM-JQWIXIFHSA-N 0 1 287.323 2.024 20 5 CEBDMN Cc1[nH]ncc1CNc1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000804377314 631672747 /nfs/dbraw/zinc/67/27/47/631672747.db2.gz YVDSTURDMGBDEL-UHFFFAOYSA-N 0 1 277.240 2.147 20 5 CEBDMN Cc1cc([N+](=O)[O-])cnc1NOCCOC(C)C ZINC000812489342 632537804 /nfs/dbraw/zinc/53/78/04/632537804.db2.gz YAJWVVHKSJAEOG-UHFFFAOYSA-N 0 1 255.274 2.067 20 5 CEBDMN Cc1cc([N+](=O)[O-])c[nH]c1=NOCCOC(C)C ZINC000812489342 632537806 /nfs/dbraw/zinc/53/78/06/632537806.db2.gz YAJWVVHKSJAEOG-UHFFFAOYSA-N 0 1 255.274 2.067 20 5 CEBDMN CCc1cc(CNc2ncc([N+](=O)[O-])cc2F)n[nH]1 ZINC000840260165 632546774 /nfs/dbraw/zinc/54/67/74/632546774.db2.gz JEUKGXYQPPNMMZ-UHFFFAOYSA-N 0 1 265.248 2.027 20 5 CEBDMN O=C([C@@H]1CC1[N+](=O)[O-])N(Cc1ccco1)C1CCCC1 ZINC000840286028 632658379 /nfs/dbraw/zinc/65/83/79/632658379.db2.gz VBYHMNUTRQHUAY-CHWSQXEVSA-N 0 1 278.308 2.216 20 5 CEBDMN CC(C)N(Cc1cccs1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840286555 632660125 /nfs/dbraw/zinc/66/01/25/632660125.db2.gz YKIIJUAKLYJIRT-GHMZBOCLSA-N 0 1 268.338 2.150 20 5 CEBDMN Cc1nc([C@H](C)NCC=Cc2ccccc2[N+](=O)[O-])n[nH]1 ZINC000813331094 632669174 /nfs/dbraw/zinc/66/91/74/632669174.db2.gz LEQAKEVWSVYMPJ-STUBTGCMSA-N 0 1 287.323 2.385 20 5 CEBDMN C[C@@H](c1ccccc1)N(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CC1 ZINC000840295024 632730506 /nfs/dbraw/zinc/73/05/06/632730506.db2.gz UOHSRMNVPCGMMI-ZLKJLUDKSA-N 0 1 274.320 2.404 20 5 CEBDMN C[C@@H](NCc1cccnc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815553143 633031433 /nfs/dbraw/zinc/03/14/33/633031433.db2.gz SKDQRBSKJRNNCS-SNVBAGLBSA-N 0 1 272.308 2.423 20 5 CEBDMN C[N@@H+](CC(=O)[O-])Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000901575973 634197327 /nfs/dbraw/zinc/19/73/27/634197327.db2.gz VOSQYLRKIRUXKZ-UHFFFAOYSA-N 0 1 293.106 2.418 20 5 CEBDMN O=[N+]([O-])CCNC[C@@H](O)c1ccc(-c2ccccc2)cc1 ZINC000905365596 636246887 /nfs/dbraw/zinc/24/68/87/636246887.db2.gz KOJTVKQIYOOPIS-MRXNPFEDSA-N 0 1 286.331 2.253 20 5 CEBDMN O=[N+]([O-])c1ccc(Cl)c(CN[C@H]2CCC[C@@H]2O)c1 ZINC000323697202 636956832 /nfs/dbraw/zinc/95/68/32/636956832.db2.gz QJOHRHOGYUUXNM-RYUDHWBXSA-N 0 1 270.716 2.251 20 5 CEBDMN CC[C@H]1CC[C@@H](C(=O)OCc2cc(O)ccc2[N+](=O)[O-])O1 ZINC000837574509 639288848 /nfs/dbraw/zinc/28/88/48/639288848.db2.gz QPHBXDOHOWNLNV-AAEUAGOBSA-N 0 1 295.291 2.301 20 5 CEBDMN O=C(Oc1ccc(Cl)c(F)c1F)[C@@H]1CC1[N+](=O)[O-] ZINC000841318438 639737979 /nfs/dbraw/zinc/73/79/79/639737979.db2.gz XMFRXDQVPGXXKQ-INEUFUBQSA-N 0 1 277.610 2.189 20 5 CEBDMN CCCC[C@H](Cc1ccccn1)OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000842304653 640004868 /nfs/dbraw/zinc/00/48/68/640004868.db2.gz JVYZNWBGASLTPG-MGPQQGTHSA-N 0 1 292.335 2.391 20 5 CEBDMN COc1cccc(-c2nc([C@@H](N)C(C)C)no2)c1[N+](=O)[O-] ZINC000843151152 640309699 /nfs/dbraw/zinc/30/96/99/640309699.db2.gz CUPOWQOPTUQCHT-JTQLQIEISA-N 0 1 292.295 2.309 20 5 CEBDMN CCCN[C@@H](C)c1nc(CCC(C)(C)[N+](=O)[O-])no1 ZINC000843232768 640361826 /nfs/dbraw/zinc/36/18/26/640361826.db2.gz BWUFAJMVTBKRCQ-VIFPVBQESA-N 0 1 270.333 2.118 20 5 CEBDMN CCCN(C)CN1CC[C@@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848477099 642008622 /nfs/dbraw/zinc/00/86/22/642008622.db2.gz LWKDYJJNXMRMOR-AWEZNQCLSA-N 0 1 291.351 2.210 20 5 CEBDMN C[C@]12COC[C@H]1CN(Cc1ccc([N+](=O)[O-])c(F)c1)C2 ZINC000852534739 643461179 /nfs/dbraw/zinc/46/11/79/643461179.db2.gz OUZQUGDUBKTASE-RISCZKNCSA-N 0 1 280.299 2.202 20 5 CEBDMN O=[N+]([O-])c1ccc2cnn(CN3CC[C@@H]4C[C@@H]4C3)c2c1 ZINC000853580954 643821241 /nfs/dbraw/zinc/82/12/41/643821241.db2.gz QYXBQPULICJANT-ZYHUDNBSSA-N 0 1 272.308 2.244 20 5 CEBDMN CN(C[C@@H]1CCc2ccccc21)Cn1cc([N+](=O)[O-])cn1 ZINC000853610364 643832125 /nfs/dbraw/zinc/83/21/25/643832125.db2.gz PBQMZPQLWPBSJQ-ZDUSSCGKSA-N 0 1 286.335 2.411 20 5 CEBDMN Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839538664 644741836 /nfs/dbraw/zinc/74/18/36/644741836.db2.gz HYIBWQNFLWBCGD-IJLUTSLNSA-N 0 1 292.335 2.383 20 5 CEBDMN CC(C)(C)[C@H]1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000839686048 644773424 /nfs/dbraw/zinc/77/34/24/644773424.db2.gz UHCFCYNLANBITJ-QJPTWQEYSA-N 0 1 268.357 2.326 20 5 CEBDMN C[C@@H]1CCc2ccccc2[C@H]1NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839715269 644790016 /nfs/dbraw/zinc/79/00/16/644790016.db2.gz CLTPSRCMIYYCPM-JXJLXUTGSA-N 0 1 274.320 2.091 20 5 CEBDMN CC(C)Cn1ncc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1C(C)C ZINC000839718090 644790997 /nfs/dbraw/zinc/79/09/97/644790997.db2.gz MWLQZRAJEDEWHP-ZYHUDNBSSA-N 0 1 294.355 2.266 20 5 CEBDMN CSc1ccc([C@@H](C)NC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC000839754456 644807041 /nfs/dbraw/zinc/80/70/41/644807041.db2.gz PKKUCSNDWWSDCC-GGZOMVNGSA-N 0 1 280.349 2.251 20 5 CEBDMN CSc1ccccc1[C@H](C)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839756892 644808607 /nfs/dbraw/zinc/80/86/07/644808607.db2.gz DECBCEPXBZEULX-JMJZKYOTSA-N 0 1 280.349 2.251 20 5 CEBDMN O=C(NC[C@H]1CCC[C@@H]1c1ccccc1)[C@@H]1CC1[N+](=O)[O-] ZINC000839781223 644815272 /nfs/dbraw/zinc/81/52/72/644815272.db2.gz JTVCUYHTXFVJEI-KBUPBQIOSA-N 0 1 288.347 2.352 20 5 CEBDMN CCO[C@H]1C[C@@H](OC(=O)c2ccc([N+](=O)[O-])[nH]2)C12CCC2 ZINC000763585500 645559335 /nfs/dbraw/zinc/55/93/35/645559335.db2.gz QQBFMDQHTIQWGE-WDEREUQCSA-N 0 1 294.307 2.427 20 5 CEBDMN CCO[C@H](C(=O)OCc1cc(O)ccc1[N+](=O)[O-])C1CC1 ZINC000859863506 645637964 /nfs/dbraw/zinc/63/79/64/645637964.db2.gz ARPHHOZHGJIKKB-ZDUSSCGKSA-N 0 1 295.291 2.159 20 5 CEBDMN Cc1ccc(CN[C@H](C)c2ccnn2C)cc1[N+](=O)[O-] ZINC000865839927 647486926 /nfs/dbraw/zinc/48/69/26/647486926.db2.gz YETWYVYEWYFIHG-LLVKDONJSA-N 0 1 274.324 2.488 20 5 CEBDMN C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])NCc1ncccn1 ZINC000866394069 647771652 /nfs/dbraw/zinc/77/16/52/647771652.db2.gz SPHFAXPSJWWDBC-JTQLQIEISA-N 0 1 290.298 2.245 20 5 CEBDMN Cc1nn(CN2CC[C@H](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000784034764 647791034 /nfs/dbraw/zinc/79/10/34/647791034.db2.gz NAWULBKNSFWLLR-NSHDSACASA-N 0 1 266.345 2.425 20 5 CEBDMN CCN(CC(=O)NC)C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000787407736 648106124 /nfs/dbraw/zinc/10/61/24/648106124.db2.gz QVSFEIBDARXBHD-WQLSENKSSA-N 0 1 291.351 2.066 20 5 CEBDMN O=C(OCc1ccsc1C(F)(F)F)[C@@H]1CC1[N+](=O)[O-] ZINC000870574080 648838085 /nfs/dbraw/zinc/83/80/85/648838085.db2.gz BCYUKXYJAWSQNC-RNFRBKRXSA-N 0 1 295.238 2.475 20 5 CEBDMN O=C(NCC[C@@H]1CCCS1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000871032165 648984510 /nfs/dbraw/zinc/98/45/10/648984510.db2.gz MICSNMWIZLVYGJ-LBPRGKRZSA-N 0 1 296.348 2.316 20 5 CEBDMN C[C@H](NCCc1cn(C)cn1)c1c(F)cccc1[N+](=O)[O-] ZINC000872077355 649265225 /nfs/dbraw/zinc/26/52/25/649265225.db2.gz HGAFVKZLVIEZKX-JTQLQIEISA-N 0 1 292.314 2.361 20 5 CEBDMN C[C@H](NCC[C@@H](O)C(F)F)c1c(F)cccc1[N+](=O)[O-] ZINC000872090359 649270635 /nfs/dbraw/zinc/27/06/35/649270635.db2.gz BOWTWYAWKNKJEC-OIBJUYFYSA-N 0 1 292.257 2.401 20 5 CEBDMN CCC1(CC)CCCN1C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000874628500 649795633 /nfs/dbraw/zinc/79/56/33/649795633.db2.gz XBJMJGHVQOWUHY-UHFFFAOYSA-N 0 1 280.328 2.421 20 5 CEBDMN CCN1CC[C@H]1CNc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000882960948 652292288 /nfs/dbraw/zinc/29/22/88/652292288.db2.gz ZZDSZXYMSFPNBD-VIFPVBQESA-N 0 1 283.303 2.249 20 5 CEBDMN O=[N+]([O-])c1ccc(Cl)cc1CN[C@H]1CCOC1 ZINC000131430352 652424838 /nfs/dbraw/zinc/42/48/38/652424838.db2.gz QQSYCWZCTZCAKP-JTQLQIEISA-N 0 1 256.689 2.127 20 5 CEBDMN CCN1CC[C@@H]1CN[C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000883355923 652440511 /nfs/dbraw/zinc/44/05/11/652440511.db2.gz AHLAPMYZKABKFT-GHMZBOCLSA-N 0 1 281.331 2.479 20 5 CEBDMN CC(C)NC(=O)CCNCc1cc([N+](=O)[O-])ccc1Cl ZINC000134477418 652843945 /nfs/dbraw/zinc/84/39/45/652843945.db2.gz VDOICLFSPOWWJP-UHFFFAOYSA-N 0 1 299.758 2.253 20 5 CEBDMN Cc1cc(Cl)nc(N2C[C@@H](C)N(C)C[C@H]2C)c1[N+](=O)[O-] ZINC001164638690 719179574 /nfs/dbraw/zinc/17/95/74/719179574.db2.gz RGGIASICOAKTBK-NXEZZACHSA-N 0 1 298.774 2.480 20 5 CEBDMN Cc1cc(Cl)nc(N2C[C@H](C)N(C)C[C@H]2C)c1[N+](=O)[O-] ZINC001164638694 719179897 /nfs/dbraw/zinc/17/98/97/719179897.db2.gz RGGIASICOAKTBK-VHSXEESVSA-N 0 1 298.774 2.480 20 5 CEBDMN CN(Cc1cc(F)ccc1[N+](=O)[O-])C[C@@H]1CCC[C@H]1O ZINC000689351303 806325298 /nfs/dbraw/zinc/32/52/98/806325298.db2.gz WEVFPRSDWQALNU-IINYFYTJSA-N 0 1 282.315 2.327 20 5 CEBDMN Cc1cc([N+](=O)[O-])cc(N[C@H]2CCN(C)C2)c1F ZINC001167281303 802630990 /nfs/dbraw/zinc/63/09/90/802630990.db2.gz SJOVQAXVTLMPOH-VIFPVBQESA-N 0 1 253.277 2.158 20 5 CEBDMN O=[N+]([O-])c1ccc(Cl)cc1CN[C@H]1CC12CC(O)C2 ZINC000724998651 803382233 /nfs/dbraw/zinc/38/22/33/803382233.db2.gz MZPQLHUWGOAUKP-YDGIUTOCSA-N 0 1 282.727 2.251 20 5 CEBDMN C[C@@H]1CN(Cc2ccc([N+](=O)[O-])c(F)c2)C[C@@]1(C)CO ZINC000694693902 803580371 /nfs/dbraw/zinc/58/03/71/803580371.db2.gz MPFWFOMTQVLMLV-YGRLFVJLSA-N 0 1 282.315 2.184 20 5 CEBDMN CC(C)(O)[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000721788249 805417248 /nfs/dbraw/zinc/41/72/48/805417248.db2.gz LPJIFJZBDYVHQG-LLVKDONJSA-N 0 1 282.315 2.327 20 5 CEBDMN CC(C)(O)[C@@H]1CCN(Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000721788249 805417253 /nfs/dbraw/zinc/41/72/53/805417253.db2.gz LPJIFJZBDYVHQG-LLVKDONJSA-N 0 1 282.315 2.327 20 5 CEBDMN O=[N+]([O-])c1cnc(N2CCN(C3CC3)CC2)c2ccccc21 ZINC001119342433 815095458 /nfs/dbraw/zinc/09/54/58/815095458.db2.gz QWGSGRDFFZLFIT-UHFFFAOYSA-N 0 1 298.346 2.427 20 5 CEBDMN NCc1nccnc1Nc1cc([N+](=O)[O-])cc2cc[nH]c21 ZINC001171448292 815127843 /nfs/dbraw/zinc/12/78/43/815127843.db2.gz YFZMNDBQDDTGAR-UHFFFAOYSA-N 0 1 284.279 2.068 20 5 CEBDMN C[C@@H]1COC[C@@H]1NCc1cc([N+](=O)[O-])ccc1Cl ZINC000699841825 807869803 /nfs/dbraw/zinc/86/98/03/807869803.db2.gz AAHWCTQLWHCMRU-PELKAZGASA-N 0 1 270.716 2.373 20 5 CEBDMN O=[N+]([O-])c1ccc(Cl)c(CN[C@H]2C[C@@H](CO)C2)c1 ZINC000707631699 809916315 /nfs/dbraw/zinc/91/63/15/809916315.db2.gz KHGSYBCPHQNVBR-WAAGHKOSSA-N 0 1 270.716 2.109 20 5 CEBDMN CN(Cc1ccc(F)cc1[N+](=O)[O-])[C@@H]1CCC[C@H]1O ZINC000708596653 809946831 /nfs/dbraw/zinc/94/68/31/809946831.db2.gz XTTSPKBWUZYQSJ-DGCLKSJQSA-N 0 1 268.288 2.079 20 5 CEBDMN O=[N+]([O-])c1ccc(Cl)c(CN2C[C@@H]3[C@H](O)CC[C@@H]3C2)c1 ZINC000712296058 811180365 /nfs/dbraw/zinc/18/03/65/811180365.db2.gz SDJPLECQQYPPRB-LJWDBELGSA-N 0 1 296.754 2.451 20 5 CEBDMN O=[N+]([O-])C[C@@H]1CC[C@@H](N2CCC[C@H]2c2ncccn2)C1 ZINC001169050640 811357342 /nfs/dbraw/zinc/35/73/42/811357342.db2.gz CBYXWAUOBAADDG-UPJWGTAASA-N 0 1 276.340 2.059 20 5 CEBDMN CC1(C)C[C@H](COC(=O)c2ccc([N+](=O)[O-])[nH]2)CCO1 ZINC001123375619 815511723 /nfs/dbraw/zinc/51/17/23/815511723.db2.gz LRDFXTJVHFKEDT-SECBINFHSA-N 0 1 282.296 2.285 20 5 CEBDMN CN1CC(CNc2ccc(-c3cccc([N+](=O)[O-])c3)nn2)C1 ZINC001170253533 812372258 /nfs/dbraw/zinc/37/22/58/812372258.db2.gz NRJYCGQNKHBRSS-UHFFFAOYSA-N 0 1 299.334 2.025 20 5 CEBDMN COc1ccc(C[C@H](C)N[C@@H]2C[C@H]2F)c([N+](=O)[O-])c1 ZINC001170304705 812379455 /nfs/dbraw/zinc/37/94/55/812379455.db2.gz FXNQWZHLCUXUBM-XXILOJSOSA-N 0 1 268.288 2.234 20 5 CEBDMN CC[C@](N)(CO)Nc1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001170864882 813561400 /nfs/dbraw/zinc/56/14/00/813561400.db2.gz JYPUVVJDLLJBTM-SNVBAGLBSA-N 0 1 293.245 2.083 20 5 CEBDMN O=C([O-])C[C@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000042295045 362079270 /nfs/dbraw/zinc/07/92/70/362079270.db2.gz OZPKZOYCQRIHLX-GFCCVEGCSA-N 0 1 264.281 2.034 20 5 CEBDMN CC(C)c1nc(CNc2ncc([N+](=O)[O-])cc2Cl)n[nH]1 ZINC000294984746 199284777 /nfs/dbraw/zinc/28/47/77/199284777.db2.gz PQFVSSPGVYNFDG-UHFFFAOYSA-N 0 1 296.718 2.497 20 5 CEBDMN Cc1c([N+](=O)[O-])cccc1N1N=C2CCC[C@@H]2C1=O ZINC000601939586 346933759 /nfs/dbraw/zinc/93/37/59/346933759.db2.gz MVQIHUZVULBAGA-VIFPVBQESA-N 0 1 259.265 2.406 20 5 CEBDMN Cc1c([N+](=O)[O-])cccc1-n1[nH]c2c(c1=O)CCC2 ZINC000601939586 346933760 /nfs/dbraw/zinc/93/37/60/346933760.db2.gz MVQIHUZVULBAGA-VIFPVBQESA-N 0 1 259.265 2.406 20 5 CEBDMN Cc1c([N+](=O)[O-])cccc1-n1[nH]c([C@@H]2CCOC2)cc1=O ZINC000601941409 346934519 /nfs/dbraw/zinc/93/45/19/346934519.db2.gz WCVJDWXGXYZDLQ-SNVBAGLBSA-N 0 1 289.291 2.032 20 5 CEBDMN CC(C)c1cc(=O)n(-c2ccc([N+](=O)[O-])cc2F)[nH]1 ZINC000601944683 346937554 /nfs/dbraw/zinc/93/75/54/346937554.db2.gz YPDUANATBVAIRD-UHFFFAOYSA-N 0 1 265.244 2.483 20 5 CEBDMN COc1ccccc1[C@@H]1CCCN1C(=O)[C@H]1CC1[N+](=O)[O-] ZINC000068807015 343774419 /nfs/dbraw/zinc/77/44/19/343774419.db2.gz QROYAJMQTZPPTP-AVGNSLFASA-N 0 1 290.319 2.024 20 5 CEBDMN C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC(O)CC1 ZINC000075621128 343860114 /nfs/dbraw/zinc/86/01/14/343860114.db2.gz WWIDDMKADWKOBH-JTQLQIEISA-N 0 1 250.298 2.113 20 5 CEBDMN COCCCn1ccc(Nc2ncc(C)cc2[N+](=O)[O-])n1 ZINC000078667942 343960708 /nfs/dbraw/zinc/96/07/08/343960708.db2.gz FYBFBLNJLMDVLQ-UHFFFAOYSA-N 0 1 291.311 2.275 20 5 CEBDMN COCC[C@H](C)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000088484238 344110083 /nfs/dbraw/zinc/11/00/83/344110083.db2.gz PCMZANYJLBKWNS-ZDUSSCGKSA-N 0 1 293.367 2.142 20 5 CEBDMN O=[N+]([O-])c1ccc(O)cc1CN1CCOC2(CCC2)C1 ZINC000093639903 344226947 /nfs/dbraw/zinc/22/69/47/344226947.db2.gz FLRZNFQIIDGCDQ-UHFFFAOYSA-N 0 1 278.308 2.055 20 5 CEBDMN C[N@@H+](Cc1cc([O-])ccc1[N+](=O)[O-])C[C@H]1CCCCO1 ZINC000092427304 344188548 /nfs/dbraw/zinc/18/85/48/344188548.db2.gz HFMPLDRPGJELHF-CYBMUJFWSA-N 0 1 280.324 2.301 20 5 CEBDMN C[N@H+](Cc1cc([O-])ccc1[N+](=O)[O-])C[C@H]1CCCCO1 ZINC000092427304 344188549 /nfs/dbraw/zinc/18/85/49/344188549.db2.gz HFMPLDRPGJELHF-CYBMUJFWSA-N 0 1 280.324 2.301 20 5 CEBDMN CN(Cc1cc(O)ccc1[N+](=O)[O-])C[C@H]1CCCCO1 ZINC000092427304 344188551 /nfs/dbraw/zinc/18/85/51/344188551.db2.gz HFMPLDRPGJELHF-CYBMUJFWSA-N 0 1 280.324 2.301 20 5 CEBDMN Cc1ccc(-c2nc([C@H]3CCCN3)no2)cc1[N+](=O)[O-] ZINC000228560672 344560836 /nfs/dbraw/zinc/56/08/36/344560836.db2.gz DKONBNHCDMYECX-SNVBAGLBSA-N 0 1 274.280 2.378 20 5 CEBDMN O=[N+]([O-])c1ccc2oc(CNC[C@@H]3CCCO3)nc2c1 ZINC000602499209 347058623 /nfs/dbraw/zinc/05/86/23/347058623.db2.gz PDCXEIOXDXTZIY-JTQLQIEISA-N 0 1 277.280 2.005 20 5 CEBDMN CN[C@@H](C)c1cn(Cc2ccc(Cl)cc2[N+](=O)[O-])nn1 ZINC000313449735 344742335 /nfs/dbraw/zinc/74/23/35/344742335.db2.gz BVIDKJUBJOFYGH-QMMMGPOBSA-N 0 1 295.730 2.168 20 5 CEBDMN O=[N+]([O-])c1cnc2ccccc2c1N1CCc2cn[nH]c2C1 ZINC000589864893 345102951 /nfs/dbraw/zinc/10/29/51/345102951.db2.gz DRVYGCPDTFTRBL-UHFFFAOYSA-N 0 1 295.302 2.429 20 5 CEBDMN C[C@@H]1CC[C@H](C(=O)[O-])[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000593291226 345463185 /nfs/dbraw/zinc/46/31/85/345463185.db2.gz ZPRNQNZACNLCFY-BXKDBHETSA-N 0 1 264.281 2.032 20 5 CEBDMN CC(C)(O)CN(Cc1ccc(F)cc1[N+](=O)[O-])C1CC1 ZINC000595446521 345784497 /nfs/dbraw/zinc/78/44/97/345784497.db2.gz LXUJHEXEYMLOBN-UHFFFAOYSA-N 0 1 282.315 2.469 20 5 CEBDMN Cc1noc(CN2CCC[C@@H]2[C@@H]2CCC[C@H]2O)c1[N+](=O)[O-] ZINC000595515585 345801703 /nfs/dbraw/zinc/80/17/03/345801703.db2.gz YRJDOKNFJSGTBU-QJPTWQEYSA-N 0 1 295.339 2.017 20 5 CEBDMN C[C@@]12COC[C@]1(C)C[N@H+](Cc1cc([O-])ccc1[N+](=O)[O-])C2 ZINC000595687554 345849031 /nfs/dbraw/zinc/84/90/31/345849031.db2.gz CPNMHSNDPCDALZ-GASCZTMLSA-N 0 1 292.335 2.159 20 5 CEBDMN O=[N+]([O-])c1cc(F)ccc1CN1CC[C@H]2COC[C@@H]2C1 ZINC000595827863 345887305 /nfs/dbraw/zinc/88/73/05/345887305.db2.gz SUIOJAHTTFNZKR-RYUDHWBXSA-N 0 1 280.299 2.202 20 5 CEBDMN COC(=O)c1ccc([N+](=O)[O-])c(CN2CC[C@H]3C[C@H]3C2)c1 ZINC000595808609 345880277 /nfs/dbraw/zinc/88/02/77/345880277.db2.gz DHTNWWWZGMVSAK-JQWIXIFHSA-N 0 1 290.319 2.223 20 5 CEBDMN CCN(C(=O)c1ccc([N+](=O)[O-])s1)[C@H]1CCN(CC)C1 ZINC000598042597 346274550 /nfs/dbraw/zinc/27/45/50/346274550.db2.gz QLDDBDDXLQEUSK-JTQLQIEISA-N 0 1 297.380 2.213 20 5 CEBDMN CC(C)[N@@H+](Cc1cc([O-])ccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000339207242 215015477 /nfs/dbraw/zinc/01/54/77/215015477.db2.gz JTVQKJFQKKVOHO-GFCCVEGCSA-N 0 1 280.324 2.300 20 5 CEBDMN COc1cc([N+](=O)[O-])ccc1CN1CC[C@H](C)[C@@H](CO)C1 ZINC000598647125 346392387 /nfs/dbraw/zinc/39/23/87/346392387.db2.gz NRRXASZHNOLFKK-WCQYABFASA-N 0 1 294.351 2.054 20 5 CEBDMN O=[N+]([O-])c1ccc(CN[C@H]2CO[C@H](C3CC3)C2)c(F)c1 ZINC000599010637 346446087 /nfs/dbraw/zinc/44/60/87/346446087.db2.gz SUKNQZWYEAIGHQ-RISCZKNCSA-N 0 1 280.299 2.391 20 5 CEBDMN CCCC[C@@H](C)N(C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602673706 347135953 /nfs/dbraw/zinc/13/59/53/347135953.db2.gz BMNWNPIHBMKAPO-SNVBAGLBSA-N 0 1 254.334 2.339 20 5 CEBDMN CO[C@@H](CNCc1nc2cc([N+](=O)[O-])ccc2o1)C1CC1 ZINC000602674000 347136371 /nfs/dbraw/zinc/13/63/71/347136371.db2.gz BQHHGPQUFUQNIK-ZDUSSCGKSA-N 0 1 291.307 2.251 20 5 CEBDMN CCN(C#N)CCN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000602803579 347206132 /nfs/dbraw/zinc/20/61/32/347206132.db2.gz CUDGYMPOLYXDCZ-LBPRGKRZSA-N 0 1 276.340 2.357 20 5 CEBDMN Cc1noc(C)c1[C@@H](C)NCCn1c(C)ncc1[N+](=O)[O-] ZINC000602805334 347206877 /nfs/dbraw/zinc/20/68/77/347206877.db2.gz KDOJTFIWXFBGAR-MRVPVSSYSA-N 0 1 293.327 2.055 20 5 CEBDMN CC[C@]1(O)CCCN(Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000602739151 347180871 /nfs/dbraw/zinc/18/08/71/347180871.db2.gz JWOBLDXWOCBSQE-HNNXBMFYSA-N 0 1 294.351 2.340 20 5 CEBDMN C[C@@H]1CCN(Cc2ccccc2[N+](=O)[O-])[C@H](CO)C1 ZINC000602931315 347250571 /nfs/dbraw/zinc/25/05/71/347250571.db2.gz PLRXBUHALVVKBK-YPMHNXCESA-N 0 1 264.325 2.188 20 5 CEBDMN CCNCc1cn([C@H](C)c2cc([N+](=O)[O-])ccc2C)nn1 ZINC000603250095 347321367 /nfs/dbraw/zinc/32/13/67/347321367.db2.gz JQALIMYWUYSJKR-LLVKDONJSA-N 0 1 289.339 2.214 20 5 CEBDMN C[C@@H](CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000604398197 347413835 /nfs/dbraw/zinc/41/38/35/347413835.db2.gz APTPSEJTRJXKQV-QMMMGPOBSA-N 0 1 288.307 2.247 20 5 CEBDMN O=[N+]([O-])c1cnn(CCN2CCCc3sccc3C2)c1 ZINC000610447871 347681988 /nfs/dbraw/zinc/68/19/88/347681988.db2.gz MFHCNKADHAKDDD-UHFFFAOYSA-N 0 1 292.364 2.301 20 5 CEBDMN COc1ccc(OCCN2C[C@@H]3CCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000610762783 347712755 /nfs/dbraw/zinc/71/27/55/347712755.db2.gz VIWXDRFRNXVMGB-AAEUAGOBSA-N 0 1 292.335 2.467 20 5 CEBDMN Cc1ccc(CN2CCc3cn[nH]c3C2)cc1[N+](=O)[O-] ZINC000611273714 347761919 /nfs/dbraw/zinc/76/19/19/347761919.db2.gz YBOHWOUITAUCIP-UHFFFAOYSA-N 0 1 272.308 2.185 20 5 CEBDMN CCN1CCN(c2ccc(F)cc2[N+](=O)[O-])C[C@H]1C ZINC000611084401 347737314 /nfs/dbraw/zinc/73/73/14/347737314.db2.gz PNGKSIDJSNQDOT-SNVBAGLBSA-N 0 1 267.304 2.264 20 5 CEBDMN COc1cc(CN2CCC(OC)CC2)ccc1[N+](=O)[O-] ZINC000351970788 219271480 /nfs/dbraw/zinc/27/14/80/219271480.db2.gz JFHCLIDXCFXDQX-UHFFFAOYSA-N 0 1 280.324 2.214 20 5 CEBDMN CC[C@@H](NCc1ccc([N+](=O)[O-])cc1)[C@H](O)C(F)(F)F ZINC000271002061 190902239 /nfs/dbraw/zinc/90/22/39/190902239.db2.gz QJDSJDOTSUEQCX-MNOVXSKESA-N 0 1 292.257 2.386 20 5 CEBDMN NC(=O)C[C@@H](NCc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000339533151 215232266 /nfs/dbraw/zinc/23/22/66/215232266.db2.gz CTCDKSAGAVTMNV-OAHLLOKOSA-N 0 1 299.330 2.301 20 5 CEBDMN CCc1[nH]nc(C(=O)N(CC2CC2)C2CCC2)c1[N+](=O)[O-] ZINC000619458755 349185763 /nfs/dbraw/zinc/18/57/63/349185763.db2.gz NUKYUXHPQVPCRH-UHFFFAOYSA-N 0 1 292.339 2.285 20 5 CEBDMN CCC[C@@H](C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)N(C)C ZINC000352183329 219347641 /nfs/dbraw/zinc/34/76/41/219347641.db2.gz CESUDDADYAMSST-LBPRGKRZSA-N 0 1 283.303 2.403 20 5 CEBDMN CCCc1[nH]nc(C(=O)N(C)CCC(C)C)c1[N+](=O)[O-] ZINC000109428770 186251846 /nfs/dbraw/zinc/25/18/46/186251846.db2.gz UKCIESNWHOHOPB-UHFFFAOYSA-N 0 1 282.344 2.389 20 5 CEBDMN COCCNCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000113312335 186571430 /nfs/dbraw/zinc/57/14/30/186571430.db2.gz BTQFEZHFHIFWMC-UHFFFAOYSA-N 0 1 293.348 2.454 20 5 CEBDMN C[C@H]1CCC[C@@H]1CNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000339790441 215340778 /nfs/dbraw/zinc/34/07/78/215340778.db2.gz CEDBBLODNHTJLO-VHSXEESVSA-N 0 1 278.308 2.466 20 5 CEBDMN COc1cc([N+](=O)[O-])ccc1CN1CCC[C@H]([C@H](C)O)C1 ZINC000569062879 299176358 /nfs/dbraw/zinc/17/63/58/299176358.db2.gz WYYFCCMNBFDADA-RYUDHWBXSA-N 0 1 294.351 2.196 20 5 CEBDMN CNC(=O)c1ccc(CNCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000074334018 363327164 /nfs/dbraw/zinc/32/71/64/363327164.db2.gz PIIAYGAVOIUROP-UHFFFAOYSA-N 0 1 299.330 2.244 20 5 CEBDMN C[C@H](O)CCN(C)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000133247422 366208593 /nfs/dbraw/zinc/20/85/93/366208593.db2.gz RVRKMAAAHMMFTC-VIFPVBQESA-N 0 1 272.732 2.451 20 5 CEBDMN COc1cc([N+](=O)[O-])ccc1CN1CC[C@H](OC)[C@H](C)C1 ZINC000451571059 283038218 /nfs/dbraw/zinc/03/82/18/283038218.db2.gz POCKYNBOLDCGKK-RISCZKNCSA-N 0 1 294.351 2.460 20 5 CEBDMN COc1cc(CN[C@@H]2CCC[C@H]2OC)c([N+](=O)[O-])cc1F ZINC000451633932 283059028 /nfs/dbraw/zinc/05/90/28/283059028.db2.gz SBQKQKZPZKWSDC-DGCLKSJQSA-N 0 1 298.314 2.400 20 5 CEBDMN CC1(C)COC[C@@H]1NCc1ccc([N+](=O)[O-])cc1F ZINC000313037335 535361772 /nfs/dbraw/zinc/36/17/72/535361772.db2.gz YOMWKGMLGSWMHG-LBPRGKRZSA-N 0 1 268.288 2.249 20 5 CEBDMN Cc1cc([N+](=O)[O-])ccc1CNCc1n[nH]c(C2CC2)n1 ZINC000294792265 199184995 /nfs/dbraw/zinc/18/49/95/199184995.db2.gz MAOUXYNTWMVOAK-UHFFFAOYSA-N 0 1 287.323 2.189 20 5 CEBDMN C[N@H+](Cc1ccco1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000136813959 366526667 /nfs/dbraw/zinc/52/66/67/366526667.db2.gz VKOIKCYSYUWASD-CQSZACIVSA-N 0 1 276.292 2.353 20 5 CEBDMN CN(Cc1ccco1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000136813959 366526672 /nfs/dbraw/zinc/52/66/72/366526672.db2.gz VKOIKCYSYUWASD-CQSZACIVSA-N 0 1 276.292 2.353 20 5 CEBDMN C[C@H](NCc1cc(=O)c(O)co1)c1cccc([N+](=O)[O-])c1 ZINC000341585046 216022181 /nfs/dbraw/zinc/02/21/81/216022181.db2.gz KRJOPXAVIKQSRV-VIFPVBQESA-N 0 1 290.275 2.104 20 5 CEBDMN O=C([O-])CC[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000578884450 366562059 /nfs/dbraw/zinc/56/20/59/366562059.db2.gz OXMILCFOTPYYCX-LBPRGKRZSA-N 0 1 278.308 2.249 20 5 CEBDMN CCC1(CNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000178154883 189093462 /nfs/dbraw/zinc/09/34/62/189093462.db2.gz XDXONRFDMFPHME-UHFFFAOYSA-N 0 1 288.307 2.391 20 5 CEBDMN Cc1c(NC(=O)[C@H](C)Cc2cnc[nH]2)cccc1[N+](=O)[O-] ZINC000582070884 366859903 /nfs/dbraw/zinc/85/99/03/366859903.db2.gz ANLXVPBNHUNYMU-SECBINFHSA-N 0 1 288.307 2.444 20 5 CEBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@]2(CC=CCC2)C1 ZINC000377668455 296065545 /nfs/dbraw/zinc/06/55/45/296065545.db2.gz MYGLLXPFBGHWHJ-MBNYWOFBSA-N 0 1 264.325 2.001 20 5 CEBDMN CC[N@H+]1CCC[C@H]1CNc1ccc([N+](=O)[O-])c(C)n1 ZINC000161500321 367092127 /nfs/dbraw/zinc/09/21/27/367092127.db2.gz PSFBSMVYZNKPLY-NSHDSACASA-N 0 1 264.329 2.194 20 5 CEBDMN COc1cc(CN2CC[C@@H](C)[C@H](OC)C2)ccc1[N+](=O)[O-] ZINC000342721531 367499518 /nfs/dbraw/zinc/49/95/18/367499518.db2.gz NKKKWSPZEQZCLT-IAQYHMDHSA-N 0 1 294.351 2.460 20 5 CEBDMN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCN(C2CC2)CC1 ZINC000343552531 367879742 /nfs/dbraw/zinc/87/97/42/367879742.db2.gz WBGPSVDKBIPWLW-GFCCVEGCSA-N 0 1 275.352 2.436 20 5 CEBDMN Cc1cccc2nc(CNC(=O)c3cc([N+](=O)[O-])c[nH]3)[nH]c21 ZINC000345871191 368463579 /nfs/dbraw/zinc/46/35/79/368463579.db2.gz AFDPIQQWVVSZAW-UHFFFAOYSA-N 0 1 299.290 2.038 20 5 CEBDMN CCOc1ccc([N+](=O)[O-])cc1CN[C@H]1C[C@@H](O)C1(C)C ZINC000189338655 369499685 /nfs/dbraw/zinc/49/96/85/369499685.db2.gz GXNASLBRVIPJJQ-UONOGXRCSA-N 0 1 294.351 2.243 20 5 CEBDMN COc1ccc([N+](=O)[O-])cc1C[N@@H+](CC(C)(C)O)C1CC1 ZINC000189894716 369577557 /nfs/dbraw/zinc/57/75/57/369577557.db2.gz VVQFURTUTPZGDU-UHFFFAOYSA-N 0 1 294.351 2.339 20 5 CEBDMN COc1ccc([N+](=O)[O-])cc1CN(CC(C)(C)O)C1CC1 ZINC000189894716 369577563 /nfs/dbraw/zinc/57/75/63/369577563.db2.gz VVQFURTUTPZGDU-UHFFFAOYSA-N 0 1 294.351 2.339 20 5 CEBDMN CCc1[nH]nc(C(=O)N2CC[C@@H](C)[C@@H]2CC)c1[N+](=O)[O-] ZINC000192906595 369870617 /nfs/dbraw/zinc/87/06/17/369870617.db2.gz CRWPXDZSKFIPEY-SCZZXKLOSA-N 0 1 280.328 2.141 20 5 CEBDMN Cc1cc(NCC(F)(F)CO)c2cc([N+](=O)[O-])ccc2n1 ZINC000231779664 370493298 /nfs/dbraw/zinc/49/32/98/370493298.db2.gz CCSJSONQZCQQCB-UHFFFAOYSA-N 0 1 297.261 2.491 20 5 CEBDMN C[C@@H]1CCN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000248345685 371177558 /nfs/dbraw/zinc/17/75/58/371177558.db2.gz NBPZDCSCPSBVLU-NEPJUHHUSA-N 0 1 291.351 2.288 20 5 CEBDMN C[C@@H]1CCC[C@@H](CNC(=O)c2n[nH]cc2[N+](=O)[O-])[C@H]1C ZINC000361241761 371735407 /nfs/dbraw/zinc/73/54/07/371735407.db2.gz CHTZXNIJBMMOCC-UTLUCORTSA-N 0 1 280.328 2.120 20 5 CEBDMN O=[N+]([O-])c1ccn(CCN2CC[C@@H]2c2ccccc2)n1 ZINC000361399886 371828948 /nfs/dbraw/zinc/82/89/48/371828948.db2.gz JZIHPVSNVGQERO-CYBMUJFWSA-N 0 1 272.308 2.238 20 5 CEBDMN C[C@@H]1CCCCN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000269278343 372405262 /nfs/dbraw/zinc/40/52/62/372405262.db2.gz KELCFFMPTFPTIX-SECBINFHSA-N 0 1 264.281 2.315 20 5 CEBDMN CCCCN(C)C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000269357793 372429157 /nfs/dbraw/zinc/42/91/57/372429157.db2.gz IHGBUUNXTUSNJG-UHFFFAOYSA-N 0 1 268.317 2.313 20 5 CEBDMN C[C@@H]1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])[C@H]1c1cccc(F)c1 ZINC000365774750 372930361 /nfs/dbraw/zinc/93/03/61/372930361.db2.gz YFCCGCFRMQCWMI-ICGCDAGXSA-N 0 1 292.310 2.400 20 5 CEBDMN CC(=O)c1ccc(N[C@H](C)c2nnc[nH]2)c([N+](=O)[O-])c1 ZINC000271162672 373154114 /nfs/dbraw/zinc/15/41/14/373154114.db2.gz QXPIGMXRJHDTGQ-SSDOTTSWSA-N 0 1 275.268 2.089 20 5 CEBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000369183764 373352905 /nfs/dbraw/zinc/35/29/05/373352905.db2.gz MNSNDWVSVUYKHU-RTXFEEFZSA-N 0 1 294.738 2.321 20 5 CEBDMN CCOc1ccc([N+](=O)[O-])cc1CN1CC[C@H]([C@@H](C)O)C1 ZINC000272654028 373602333 /nfs/dbraw/zinc/60/23/33/373602333.db2.gz ZYEREJDDZRIVHP-NEPJUHHUSA-N 0 1 294.351 2.196 20 5 CEBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1C[C@@H]2CCC[C@H]2C1 ZINC000272687586 373617489 /nfs/dbraw/zinc/61/74/89/373617489.db2.gz PPAWHAXVWRGUFU-UWVGGRQHSA-N 0 1 276.292 2.173 20 5 CEBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@@H](Cc2ccccc2)C1 ZINC000377559288 374883995 /nfs/dbraw/zinc/88/39/95/374883995.db2.gz NBSJDJXIDZXFGD-ZNMIVQPWSA-N 0 1 288.347 2.133 20 5 CEBDMN O=[N+]([O-])c1ccccc1-c1noc([C@@H]2C[C@@H]2c2nc[nH]n2)n1 ZINC000377424173 374853397 /nfs/dbraw/zinc/85/33/97/374853397.db2.gz ZMBQOYAXBHLVKA-DTWKUNHWSA-N 0 1 298.262 2.034 20 5 CEBDMN O=C(N[C@@H]1CC[C@@H]2CCC[C@H]2C1)c1n[nH]cc1[N+](=O)[O-] ZINC000408031153 375396980 /nfs/dbraw/zinc/39/69/80/375396980.db2.gz KZSAAHVQBGCVFM-LPEHRKFASA-N 0 1 278.312 2.017 20 5 CEBDMN Cc1[nH]nc(C(=O)N2C[C@H](C)CCC[C@@H]2C)c1[N+](=O)[O-] ZINC000408223456 375432037 /nfs/dbraw/zinc/43/20/37/375432037.db2.gz DLLOWSBBQQUNIA-BDAKNGLRSA-N 0 1 280.328 2.277 20 5 CEBDMN C[C@@H](O)[C@H]1CCCCN1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000283254612 375681149 /nfs/dbraw/zinc/68/11/49/375681149.db2.gz VQCLZXRIKLTHCK-ZWNOBZJWSA-N 0 1 282.315 2.469 20 5 CEBDMN CN(C)C1CN(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)C1 ZINC000283656951 375740397 /nfs/dbraw/zinc/74/03/97/375740397.db2.gz CWRAMHWEWWHPOO-UHFFFAOYSA-N 0 1 298.730 2.026 20 5 CEBDMN O=[N+]([O-])c1cccc([C@@H](NCCO)c2ccccc2)c1 ZINC000305840367 376513927 /nfs/dbraw/zinc/51/39/27/376513927.db2.gz QWRWKPCCLJMZFZ-HNNXBMFYSA-N 0 1 272.304 2.266 20 5 CEBDMN O=[N+]([O-])c1cccc([C@H](NCCO)c2ccccc2)c1 ZINC000305840368 376514069 /nfs/dbraw/zinc/51/40/69/376514069.db2.gz QWRWKPCCLJMZFZ-OAHLLOKOSA-N 0 1 272.304 2.266 20 5 CEBDMN CC[C@H]1CO[C@@H](C)CN1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000330417252 377123279 /nfs/dbraw/zinc/12/32/79/377123279.db2.gz DPUOXBGNJHPXTA-JQWIXIFHSA-N 0 1 280.324 2.300 20 5 CEBDMN CC[C@H]1CO[C@H](C)CN1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000330417253 377123340 /nfs/dbraw/zinc/12/33/40/377123340.db2.gz DPUOXBGNJHPXTA-PWSUYJOCSA-N 0 1 280.324 2.300 20 5 CEBDMN CC[C@@]1(CO)CCC[N@H+]1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000330457984 377141647 /nfs/dbraw/zinc/14/16/47/377141647.db2.gz RBVLDJWALUOMAW-AWEZNQCLSA-N 0 1 280.324 2.037 20 5 CEBDMN CC(C)CCNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000427910666 377466427 /nfs/dbraw/zinc/46/64/27/377466427.db2.gz BWKFIWLPKFAPIR-UHFFFAOYSA-N 0 1 252.270 2.076 20 5 CEBDMN CC[C@@H]1CN(C)CCN1Cc1cc([N+](=O)[O-])ccc1OC ZINC000567448014 377818791 /nfs/dbraw/zinc/81/87/91/377818791.db2.gz OSMHQEGKVPHMKG-CYBMUJFWSA-N 0 1 293.367 2.129 20 5 CEBDMN Cc1cc(C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)[nH]n1 ZINC000450436408 378417026 /nfs/dbraw/zinc/41/70/26/378417026.db2.gz RATFLPRUUFINDR-UHFFFAOYSA-N 0 1 287.323 2.405 20 5 CEBDMN C[C@@H](O)CCN(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000450604465 378496115 /nfs/dbraw/zinc/49/61/15/378496115.db2.gz WOMZXZJUVPSPHK-LLVKDONJSA-N 0 1 264.325 2.330 20 5 CEBDMN O=C([O-])[C@@]12CCC[C@@H]1C[N@@H+](Cc1csc([N+](=O)[O-])c1)C2 ZINC000346649471 217975062 /nfs/dbraw/zinc/97/50/62/217975062.db2.gz HTJFFZFGXXOBIX-ZWNOBZJWSA-N 0 1 296.348 2.343 20 5 CEBDMN CCN(CC)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000298677334 378798291 /nfs/dbraw/zinc/79/82/91/378798291.db2.gz MDVKQJVPRZDNLM-JTQLQIEISA-N 0 1 265.313 2.264 20 5 CEBDMN CC[C@H](N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1)C(=O)NC ZINC000453405982 378889497 /nfs/dbraw/zinc/88/94/97/378889497.db2.gz OYHSGTDYQGIGRG-PWSUYJOCSA-N 0 1 279.340 2.078 20 5 CEBDMN CCOc1ccc([N+](=O)[O-])cc1CN1CC[C@H](COC)C1 ZINC000267003266 190295902 /nfs/dbraw/zinc/29/59/02/190295902.db2.gz DQUQEVRFYUFCMA-LBPRGKRZSA-N 0 1 294.351 2.462 20 5 CEBDMN Cc1ccc([C@@H](C)NC(=O)[C@@H]2CCCN2C)cc1[N+](=O)[O-] ZINC000267771146 190353844 /nfs/dbraw/zinc/35/38/44/190353844.db2.gz VKXXSAQQZMHEGO-YPMHNXCESA-N 0 1 291.351 2.175 20 5 CEBDMN C[C@@H]1CN(C)CCN1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000493030978 380771713 /nfs/dbraw/zinc/77/17/13/380771713.db2.gz HNPIROOMSBAABT-SNVBAGLBSA-N 0 1 283.759 2.384 20 5 CEBDMN O=[N+]([O-])c1ccc(CNCc2cnc3n2CCCC3)cc1 ZINC000376725743 285115140 /nfs/dbraw/zinc/11/51/40/285115140.db2.gz HXBJGDMPSQPMOC-UHFFFAOYSA-N 0 1 286.335 2.417 20 5 CEBDMN C[C@H]1CC(O)C[C@H](C)N1Cc1cccc([N+](=O)[O-])c1 ZINC000191266906 130211058 /nfs/dbraw/zinc/21/10/58/130211058.db2.gz DXCUYGHABZAGOA-QWRGUYRKSA-N 0 1 264.325 2.329 20 5 CEBDMN CN(C)[C@H](CNc1ncc([N+](=O)[O-])cc1F)c1ccco1 ZINC000413021942 394464581 /nfs/dbraw/zinc/46/45/81/394464581.db2.gz BZKUMRKVFSUABL-LLVKDONJSA-N 0 1 294.286 2.437 20 5 CEBDMN O=C([O-])C[C@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000038027752 394497875 /nfs/dbraw/zinc/49/78/75/394497875.db2.gz YQQYVVWYKHGGLH-CYBMUJFWSA-N 0 1 278.308 2.424 20 5 CEBDMN COCCCn1ccc(Nc2ncc([N+](=O)[O-])s2)n1 ZINC000281848316 394862487 /nfs/dbraw/zinc/86/24/87/394862487.db2.gz JGSUVUXUOYQKLG-UHFFFAOYSA-N 0 1 283.313 2.028 20 5 CEBDMN CC1CCC2(CCN(C(=O)[C@H]3CC3[N+](=O)[O-])C2)CC1 ZINC000365300426 394924491 /nfs/dbraw/zinc/92/44/91/394924491.db2.gz ZIDROVZOXKMKLS-ATJQQHLPSA-N 0 1 266.341 2.080 20 5 CEBDMN O=[N+]([O-])c1ccccc1N[C@@H]1CCc2[nH]cnc2C1 ZINC000370860627 395019863 /nfs/dbraw/zinc/01/98/63/395019863.db2.gz IRVRUHBZTMRXAU-SECBINFHSA-N 0 1 258.281 2.287 20 5 CEBDMN C[C@@H]1CN(CCn2cc([N+](=O)[O-])cn2)[C@@H]1c1ccccc1 ZINC000177825285 395157311 /nfs/dbraw/zinc/15/73/11/395157311.db2.gz WMXMVEULOGYVNE-DOMZBBRYSA-N 0 1 286.335 2.484 20 5 CEBDMN O=C1CCC[C@@H](CNCc2ccc([N+](=O)[O-])cc2Cl)N1 ZINC000433191187 395207559 /nfs/dbraw/zinc/20/75/59/395207559.db2.gz ZLWFUCMERMHRTK-JTQLQIEISA-N 0 1 297.742 2.007 20 5 CEBDMN CC1(C)OCC[C@@H]1NCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000295208377 395290357 /nfs/dbraw/zinc/29/03/57/395290357.db2.gz LWAVQXTYYKKNPY-LBPRGKRZSA-N 0 1 295.295 2.160 20 5 CEBDMN C[C@H]1CC[C@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000444483099 395433674 /nfs/dbraw/zinc/43/36/74/395433674.db2.gz NIUNYRXPHLGVQF-WPRPVWTQSA-N 0 1 264.281 2.219 20 5 CEBDMN C[C@@H](NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@H]1CCCO1 ZINC000444686833 395445508 /nfs/dbraw/zinc/44/55/08/395445508.db2.gz XXUQJAYUXXRHBP-NOZJJQNGSA-N 0 1 290.323 2.128 20 5 CEBDMN O=[N+]([O-])c1ccccc1CN1CCC(n2cncn2)CC1 ZINC000360775599 155370589 /nfs/dbraw/zinc/37/05/89/155370589.db2.gz JFFNCAFRWHNXPD-UHFFFAOYSA-N 0 1 287.323 2.023 20 5 CEBDMN C[C@@H](Nc1ccc(F)cc1[N+](=O)[O-])c1nnc[nH]1 ZINC000219646113 153301140 /nfs/dbraw/zinc/30/11/40/153301140.db2.gz HHKGAQZOADLIRP-ZCFIWIBFSA-N 0 1 251.221 2.025 20 5 CEBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(=Cc2ccccc2)CC1 ZINC000361030379 155437641 /nfs/dbraw/zinc/43/76/41/155437641.db2.gz CBDBLAWJKJXYQY-CABCVRRESA-N 0 1 286.331 2.358 20 5 CEBDMN Cc1c(CN2CCOC[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000376501432 157232010 /nfs/dbraw/zinc/23/20/10/157232010.db2.gz PMKVWOOZWZPLKG-LLVKDONJSA-N 0 1 264.325 2.372 20 5 CEBDMN Cc1c(C[N@H+]2CCCC[C@@H]2C(=O)[O-])cccc1[N+](=O)[O-] ZINC000035649617 172326126 /nfs/dbraw/zinc/32/61/26/172326126.db2.gz RGAKJPXPNRBOTQ-CYBMUJFWSA-N 0 1 278.308 2.342 20 5 CEBDMN Cc1c(C[N@H+]2CCC[C@@H](C(=O)[O-])C2)cccc1[N+](=O)[O-] ZINC000035649615 172326294 /nfs/dbraw/zinc/32/62/94/172326294.db2.gz SKWGPVKQAAUCJA-GFCCVEGCSA-N 0 1 278.308 2.200 20 5 CEBDMN Cc1c(NC(=O)CN(C)C(C)C)cccc1[N+](=O)[O-] ZINC000070944205 176016618 /nfs/dbraw/zinc/01/66/18/176016618.db2.gz UNSHOQVKLBPWJM-UHFFFAOYSA-N 0 1 265.313 2.182 20 5 CEBDMN O=[N+]([O-])c1ccc(Cl)c(CNC[C@@H](O)C2CC2)c1 ZINC000071300931 176114079 /nfs/dbraw/zinc/11/40/79/176114079.db2.gz CAMFXFKMNPPIIL-GFCCVEGCSA-N 0 1 270.716 2.109 20 5 CEBDMN COC[C@@H](C)N(C)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000076711055 177067750 /nfs/dbraw/zinc/06/77/50/177067750.db2.gz UIGCUCNMVDBYPZ-SNVBAGLBSA-N 0 1 268.313 2.070 20 5 CEBDMN CC[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])c1cccs1 ZINC000179578853 260055511 /nfs/dbraw/zinc/05/55/11/260055511.db2.gz DCXKABZXHRCSOZ-SSDOTTSWSA-N 0 1 280.309 2.261 20 5 CEBDMN O=[N+]([O-])c1ccccc1CN1CCC(CCO)CC1 ZINC000401091676 260146774 /nfs/dbraw/zinc/14/67/74/260146774.db2.gz YECIKGXMCMDUFW-UHFFFAOYSA-N 0 1 264.325 2.189 20 5 CEBDMN CCCN1CCN(c2cc(C)ccc2[N+](=O)[O-])CC1 ZINC000337908242 273614316 /nfs/dbraw/zinc/61/43/16/273614316.db2.gz FHPUSJKJCJGUET-UHFFFAOYSA-N 0 1 263.341 2.435 20 5 CEBDMN CN(C)[C@H](CNc1ccc(N)cc1[N+](=O)[O-])c1ccco1 ZINC000285758499 276866689 /nfs/dbraw/zinc/86/66/89/276866689.db2.gz VHHXPXVPPJEUHF-CYBMUJFWSA-N 0 1 290.323 2.485 20 5 CEBDMN CC(C)c1[nH]nc(C(=O)N2CC[C@@H](C)[C@@H]2C)c1[N+](=O)[O-] ZINC000269336990 278000669 /nfs/dbraw/zinc/00/06/69/278000669.db2.gz BNOFPUXFHLCLJK-BDAKNGLRSA-N 0 1 280.328 2.312 20 5 CEBDMN CC(C)c1[nH]nc(C(=O)N2C[C@H](C)C[C@H]2C)c1[N+](=O)[O-] ZINC000408399900 278001356 /nfs/dbraw/zinc/00/13/56/278001356.db2.gz MDFCCRVOZZWRTC-RKDXNWHRSA-N 0 1 280.328 2.312 20 5 CEBDMN Cc1cccc(N2C[C@H](C)N(C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000338788492 278923624 /nfs/dbraw/zinc/92/36/24/278923624.db2.gz UTZPUWPLGAXCDK-RYUDHWBXSA-N 0 1 263.341 2.432 20 5 CEBDMN O=[N+]([O-])c1ccc([O-])cc1C[N@H+]1CC[C@@H]([C@H]2CCOC2)C1 ZINC000339050185 280369191 /nfs/dbraw/zinc/36/91/91/280369191.db2.gz FVTBMLXENPDABB-NEPJUHHUSA-N 0 1 292.335 2.159 20 5 CEBDMN C[C@@H]1C[C@H](O)CN1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000471799243 290284300 /nfs/dbraw/zinc/28/43/00/290284300.db2.gz QDDPQYQSOXKDPD-FJYXQWIHSA-N 0 1 262.309 2.063 20 5 CEBDMN Cc1cccc(N(C)C(=O)c2cc(O)cc([N+](=O)[O-])c2)n1 ZINC000580927075 322354550 /nfs/dbraw/zinc/35/45/50/322354550.db2.gz KTGDNEOPOYUCMF-UHFFFAOYSA-N 0 1 287.275 2.280 20 5 CEBDMN O=[N+]([O-])c1cccc(C[N@@H+]2CCCC[C@H]2C2(O)CC2)c1 ZINC000560590364 327328899 /nfs/dbraw/zinc/32/88/99/327328899.db2.gz OMHHWVQAPQUTFZ-AWEZNQCLSA-N 0 1 276.336 2.474 20 5 CEBDMN CC(C)[C@@H](C(=O)OCc1cccc([N+](=O)[O-])c1)N(C)C ZINC000730088709 574500891 /nfs/dbraw/zinc/50/08/91/574500891.db2.gz MBJVFUYQNUCOFM-ZDUSSCGKSA-N 0 1 280.324 2.224 20 5 CEBDMN O=[N+]([O-])c1ccc(Cl)c(CN[C@@H](CO)C2CC2)c1 ZINC000734160968 574704050 /nfs/dbraw/zinc/70/40/50/574704050.db2.gz ISLWENSHYDEYMU-LBPRGKRZSA-N 0 1 270.716 2.109 20 5 CEBDMN CC(C)CN(C)Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000742146820 575007596 /nfs/dbraw/zinc/00/75/96/575007596.db2.gz NNBSPVFEQMAYBQ-UHFFFAOYSA-N 0 1 289.339 2.399 20 5 CEBDMN O=C([O-])C[N@@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])C1CC1 ZINC000093633500 601462057 /nfs/dbraw/zinc/46/20/57/601462057.db2.gz KYPPNUIBNQIXHJ-UHFFFAOYSA-N 0 1 284.699 2.297 20 5 CEBDMN C[C@@]1(C(=O)[O-])CC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000062936499 601951598 /nfs/dbraw/zinc/95/15/98/601951598.db2.gz RTFLGMYUKPKSCP-CYBMUJFWSA-N 0 1 282.271 2.031 20 5 CEBDMN C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](N(C)C(=O)[O-])C1 ZINC000825631592 603797066 /nfs/dbraw/zinc/79/70/66/603797066.db2.gz ZWJZCEXXLKWMPM-ZWNOBZJWSA-N 0 1 293.323 2.340 20 5 CEBDMN Cc1c(C[N@@H+]2CC[C@H](N(C)C(=O)[O-])C2)cccc1[N+](=O)[O-] ZINC000829859805 603812531 /nfs/dbraw/zinc/81/25/31/603812531.db2.gz RHEIZRHZSVBTCC-LBPRGKRZSA-N 0 1 293.323 2.087 20 5 CEBDMN C[C@@]1(C(=O)[O-])CC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000833554274 604674957 /nfs/dbraw/zinc/67/49/57/604674957.db2.gz QFKDKZLSTSLWFL-CSPWOOARSA-N 0 1 290.319 2.405 20 5 CEBDMN O=[N+]([O-])c1ccccc1CN[C@]12C[C@H]1COC21CCC1 ZINC000933388058 623708217 /nfs/dbraw/zinc/70/82/17/623708217.db2.gz WVSRFZZTDCGEGB-SWLSCSKDSA-N 0 1 274.320 2.396 20 5 CEBDMN CCN(Cc1ccc(O)c(OC)c1[N+](=O)[O-])C1CC1 ZINC000891608412 623825115 /nfs/dbraw/zinc/82/51/15/623825115.db2.gz DBGNSSBNWCBDHW-UHFFFAOYSA-N 0 1 266.297 2.293 20 5 CEBDMN CN(C)[C@@H](CNc1c([N+](=O)[O-])cnn1C)c1ccsc1 ZINC000891728073 623930457 /nfs/dbraw/zinc/93/04/57/623930457.db2.gz JDLNQVGRONVUFI-JTQLQIEISA-N 0 1 295.368 2.105 20 5 CEBDMN C[C@H]1OCC[C@]1(C)NCc1cc(F)ccc1[N+](=O)[O-] ZINC000235651116 625692001 /nfs/dbraw/zinc/69/20/01/625692001.db2.gz NXAMTIWLQZOUON-RNCFNFMXSA-N 0 1 268.288 2.391 20 5 CEBDMN C[C@]1(C2CC2)COCCN1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000934480824 624528725 /nfs/dbraw/zinc/52/87/25/624528725.db2.gz ZGYDUSQHKUXXIP-OAHLLOKOSA-N 0 1 292.335 2.301 20 5 CEBDMN O=[N+]([O-])c1ccc(F)cc1CN1CCCC[C@H]1CCO ZINC000050104917 624537370 /nfs/dbraw/zinc/53/73/70/624537370.db2.gz JNLKPOLXQBHLSN-ZDUSSCGKSA-N 0 1 282.315 2.471 20 5 CEBDMN C[C@H](N(C)Cc1cc(F)ccc1[N+](=O)[O-])C(C)(C)O ZINC000295212091 628038892 /nfs/dbraw/zinc/03/88/92/628038892.db2.gz URZITHRLIALADC-VIFPVBQESA-N 0 1 270.304 2.325 20 5 CEBDMN CCO[C@@H]1C[C@@H](N[C@H](C)c2ccccc2[N+](=O)[O-])[C@H]1OC ZINC000893280387 628235823 /nfs/dbraw/zinc/23/58/23/628235823.db2.gz WUXRSZRIUHMAEB-PZTHBURQSA-N 0 1 294.351 2.438 20 5 CEBDMN O=[N+]([O-])c1cc(Cl)ccc1CN[C@@H]1C=C[C@H](CO)C1 ZINC000893366793 628511108 /nfs/dbraw/zinc/51/11/08/628511108.db2.gz GTBJQFVKYBFXOU-JOYOIKCWSA-N 0 1 282.727 2.275 20 5 CEBDMN O=[N+]([O-])CCN1CCCSC[C@H]1c1ccccc1 ZINC000931695633 628787137 /nfs/dbraw/zinc/78/71/37/628787137.db2.gz YHHQXSWTFCYULA-ZDUSSCGKSA-N 0 1 266.366 2.443 20 5 CEBDMN CC(C)NC(=O)[C@@H](C)NCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000840975018 628976515 /nfs/dbraw/zinc/97/65/15/628976515.db2.gz RZNOKAPPJZJXBA-SECBINFHSA-N 0 1 299.758 2.251 20 5 CEBDMN O=C(OCc1ncc(-c2cccs2)o1)[C@@H]1CC1[N+](=O)[O-] ZINC000840670424 629289163 /nfs/dbraw/zinc/28/91/63/629289163.db2.gz FIRLSPHOZRCTRQ-HTQZYQBOSA-N 0 1 294.288 2.112 20 5 CEBDMN Cc1nc(COC(=O)c2cccc(Cl)c2[N+](=O)[O-])n[nH]1 ZINC000795459227 629569627 /nfs/dbraw/zinc/56/96/27/629569627.db2.gz SYZZDGDRMBWRRB-UHFFFAOYSA-N 0 1 296.670 2.032 20 5 CEBDMN CCN1[C@H](C)CN(c2ncc(C)cc2[N+](=O)[O-])C[C@@H]1C ZINC000895098703 629892145 /nfs/dbraw/zinc/89/21/45/629892145.db2.gz ADAUFYRBTRXFMN-TXEJJXNPSA-N 0 1 278.356 2.217 20 5 CEBDMN CC(C)C[C@H]1CN(C)CCN1c1ccc([N+](=O)[O-])cn1 ZINC000896650941 630624925 /nfs/dbraw/zinc/62/49/25/630624925.db2.gz NRAAOJGPMAIAAD-ZDUSSCGKSA-N 0 1 278.356 2.156 20 5 CEBDMN Cc1cc(N2CCN(C)C[C@H]2CC(C)C)ncc1[N+](=O)[O-] ZINC000896651854 630625893 /nfs/dbraw/zinc/62/58/93/630625893.db2.gz YZVZMKRDCCRZAN-CYBMUJFWSA-N 0 1 292.383 2.465 20 5 CEBDMN C[C@@H]1C[C@@H](C(=O)[O-])C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000263389662 631416404 /nfs/dbraw/zinc/41/64/04/631416404.db2.gz YMIHPXZFKXEDRO-DGCLKSJQSA-N 0 1 292.335 2.180 20 5 CEBDMN C[C@@H]1CN(C)[C@@H](C)CN1c1cccc(F)c1[N+](=O)[O-] ZINC000785836712 631742048 /nfs/dbraw/zinc/74/20/48/631742048.db2.gz CKULFBONQFVYKW-VHSXEESVSA-N 0 1 267.304 2.263 20 5 CEBDMN CC(=O)c1ccc([N+](=O)[O-])cc1NC1CCN(C)CC1 ZINC000807918535 631887557 /nfs/dbraw/zinc/88/75/57/631887557.db2.gz VPHPRXIXACUKNM-UHFFFAOYSA-N 0 1 277.324 2.304 20 5 CEBDMN O=[N+]([O-])c1ccc([C@@H]2CCCN(Cn3cnnc3)C2)cc1 ZINC000840127016 631909322 /nfs/dbraw/zinc/90/93/22/631909322.db2.gz QOOKLQAENYYPHZ-CYBMUJFWSA-N 0 1 287.323 2.023 20 5 CEBDMN Cc1nc([C@H](C)NCC=Cc2ccccc2[N+](=O)[O-])n[nH]1 ZINC000813331092 632669732 /nfs/dbraw/zinc/66/97/32/632669732.db2.gz LEQAKEVWSVYMPJ-BXKUYDPTSA-N 0 1 287.323 2.385 20 5 CEBDMN CC[C@@H](C)[C@@H](C)N(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CC1 ZINC000840326897 632916973 /nfs/dbraw/zinc/91/69/73/632916973.db2.gz MFORQFKPPOFLMR-CNVPUSNMSA-N 0 1 254.330 2.077 20 5 CEBDMN COCCN(C)Cc1cc(-c2ccccc2[N+](=O)[O-])no1 ZINC000901396425 634090615 /nfs/dbraw/zinc/09/06/15/634090615.db2.gz RLWZEUDBESAYFS-UHFFFAOYSA-N 0 1 291.307 2.328 20 5 CEBDMN Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CC[C@](F)(C(=O)[O-])C1 ZINC000901518959 634174745 /nfs/dbraw/zinc/17/47/45/634174745.db2.gz NLKNSYLXIUBJTP-CQSZACIVSA-N 0 1 296.298 2.210 20 5 CEBDMN Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CC[C@](F)(C(=O)[O-])C1 ZINC000901518959 634174746 /nfs/dbraw/zinc/17/47/46/634174746.db2.gz NLKNSYLXIUBJTP-CQSZACIVSA-N 0 1 296.298 2.210 20 5 CEBDMN O=[N+]([O-])CCN[C@H]1C[C@H]1c1ccccc1C(F)(F)F ZINC000905083307 635798531 /nfs/dbraw/zinc/79/85/31/635798531.db2.gz VRIARIDGPGABBV-ONGXEEELSA-N 0 1 274.242 2.428 20 5 CEBDMN CCc1nc(CNc2cc(OC)cc(F)c2[N+](=O)[O-])n[nH]1 ZINC000828267780 636553834 /nfs/dbraw/zinc/55/38/34/636553834.db2.gz NPIFPSJRSILKBO-UHFFFAOYSA-N 0 1 295.274 2.035 20 5 CEBDMN C[S@@](=O)CCN1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000831538595 637365413 /nfs/dbraw/zinc/36/54/13/637365413.db2.gz GIQSACSTJQXJDF-RNODOKPDSA-N 0 1 296.392 2.153 20 5 CEBDMN O=c1ccc(CN2CCc3c(cccc3[N+](=O)[O-])C2)c[nH]1 ZINC000876739124 650414342 /nfs/dbraw/zinc/41/43/42/650414342.db2.gz FSOYEGWCVZRIRB-UHFFFAOYSA-N 0 1 285.303 2.254 20 5 CEBDMN O=C(OCc1cc(O)ccc1[N+](=O)[O-])C1CCSCC1 ZINC000837518702 639263733 /nfs/dbraw/zinc/26/37/33/639263733.db2.gz CPRMATMQNKKPSE-UHFFFAOYSA-N 0 1 297.332 2.487 20 5 CEBDMN CC(C)(C)c1csc(COC(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC000840671718 639521674 /nfs/dbraw/zinc/52/16/74/639521674.db2.gz ZVUTVUAFUMWLGV-HTQZYQBOSA-N 0 1 284.337 2.149 20 5 CEBDMN CO[C@@H](COC(=O)c1ccc([N+](=O)[O-])[nH]1)CC(C)C ZINC000842456414 640065140 /nfs/dbraw/zinc/06/51/40/640065140.db2.gz BYGNRUDEHNLTQB-SECBINFHSA-N 0 1 270.285 2.141 20 5 CEBDMN O=C(OCCSc1ccc(F)cc1)[C@@H]1CC1[N+](=O)[O-] ZINC000849808091 642473725 /nfs/dbraw/zinc/47/37/25/642473725.db2.gz YYVHRESPCBTUNR-GHMZBOCLSA-N 0 1 285.296 2.126 20 5 CEBDMN O=[N+]([O-])c1ccc(F)cc1CN[C@H]1C[C@H](O)C12CCC2 ZINC000852584351 643482430 /nfs/dbraw/zinc/48/24/30/643482430.db2.gz LKUWPWLAZWINRP-STQMWFEESA-N 0 1 280.299 2.127 20 5 CEBDMN C[C@@H](OC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)c1nnc[nH]1 ZINC000853224953 643712346 /nfs/dbraw/zinc/71/23/46/643712346.db2.gz JWWQKBLSTXESDN-DTWKUNHWSA-N 0 1 290.279 2.121 20 5 CEBDMN Cc1ccc([C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C2CC2)cc1 ZINC000839478068 644238515 /nfs/dbraw/zinc/23/85/15/644238515.db2.gz BKIOGEUVTBOUON-MGPQQGTHSA-N 0 1 274.320 2.228 20 5 CEBDMN COC(=O)C[C@@H](NCc1c(F)cccc1[N+](=O)[O-])C1CC1 ZINC000754535246 644385917 /nfs/dbraw/zinc/38/59/17/644385917.db2.gz FRACOMOAAWKQEP-GFCCVEGCSA-N 0 1 296.298 2.165 20 5 CEBDMN COC(=O)C[C@H](NCc1cc(F)ccc1[N+](=O)[O-])C1CC1 ZINC000754542276 644387956 /nfs/dbraw/zinc/38/79/56/644387956.db2.gz UFDZQWVKXZFXJR-LBPRGKRZSA-N 0 1 296.298 2.165 20 5 CEBDMN O=C(NC1CCC(C2CCC2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC000856255892 644618478 /nfs/dbraw/zinc/61/84/78/644618478.db2.gz JLYOXAVRIGPNDW-FIYWTHMPSA-N 0 1 266.341 2.127 20 5 CEBDMN CC1(C)C[C@]1(CNC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccccc1 ZINC000856514260 644692458 /nfs/dbraw/zinc/69/24/58/644692458.db2.gz ZRZWYDUUFWQMED-IOASZLSFSA-N 0 1 288.347 2.136 20 5 CEBDMN CCOc1ccccc1[C@@H](CC)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839622119 644756874 /nfs/dbraw/zinc/75/68/74/644756874.db2.gz OQMKANVWPKKAOR-JHJVBQTASA-N 0 1 292.335 2.318 20 5 CEBDMN C[C@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839684834 644772174 /nfs/dbraw/zinc/77/21/74/644772174.db2.gz CHLDSWZFNBXMOZ-RMIQQSQVSA-N 0 1 292.310 2.195 20 5 CEBDMN O=C(N[C@@H](c1ccc(F)cc1)C1CCC1)[C@@H]1CC1[N+](=O)[O-] ZINC000839686700 644772996 /nfs/dbraw/zinc/77/29/96/644772996.db2.gz OWKTYLNSOSMGLS-MGPQQGTHSA-N 0 1 292.310 2.448 20 5 CEBDMN C[C@H]1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])[C@H](c2ccco2)C1 ZINC000839693102 644775139 /nfs/dbraw/zinc/77/51/39/644775139.db2.gz BPDONKTYHNKKMN-QCNOEVLYSA-N 0 1 278.308 2.244 20 5 CEBDMN C[C@H]1C[C@H](c2ccccc2)CN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839683936 644784303 /nfs/dbraw/zinc/78/43/03/644784303.db2.gz SBAIJVGDSDDNRI-SCUASFONSA-N 0 1 274.320 2.056 20 5 CEBDMN O=C(N[C@H]1CC[C@H](c2ccc(F)cc2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000839748657 644804640 /nfs/dbraw/zinc/80/46/40/644804640.db2.gz ULBDWPDELNXZNA-SCUASFONSA-N 0 1 292.310 2.243 20 5 CEBDMN CSc1ccc([C@H](C)NC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC000839753344 644806874 /nfs/dbraw/zinc/80/68/74/644806874.db2.gz PKKUCSNDWWSDCC-XXILOJSOSA-N 0 1 280.349 2.251 20 5 CEBDMN O=C(NC[C@@H]1CCC[C@@H]1c1ccccc1)[C@@H]1CC1[N+](=O)[O-] ZINC000839781222 644815139 /nfs/dbraw/zinc/81/51/39/644815139.db2.gz JTVCUYHTXFVJEI-GBJTYRQASA-N 0 1 288.347 2.352 20 5 CEBDMN O=C(OCc1cccc(-c2cccnc2)c1)[C@@H]1CC1[N+](=O)[O-] ZINC000861220136 646065012 /nfs/dbraw/zinc/06/50/12/646065012.db2.gz PQMFLFYMCNBWAK-HUUCEWRRSA-N 0 1 298.298 2.457 20 5 CEBDMN O=C(NOCc1ccccc1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000769475799 646274590 /nfs/dbraw/zinc/27/45/90/646274590.db2.gz QRIORIMRKCXWBR-UHFFFAOYSA-N 0 1 288.259 2.162 20 5 CEBDMN Cc1sc(C(=O)NCCN2CCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000773198725 646715238 /nfs/dbraw/zinc/71/52/38/646715238.db2.gz OPWFRMSIAOXLSE-VIFPVBQESA-N 0 1 297.380 2.179 20 5 CEBDMN O=C(Nc1ccc(O)cc1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000773349433 646728399 /nfs/dbraw/zinc/72/83/99/646728399.db2.gz MKJIQUVUGVDVJY-UHFFFAOYSA-N 0 1 274.232 2.258 20 5 CEBDMN CCCN(C)CC(=O)N1CCc2cc(C)c([N+](=O)[O-])cc21 ZINC000773984302 646792985 /nfs/dbraw/zinc/79/29/85/646792985.db2.gz CZFDONQRRZWBIT-UHFFFAOYSA-N 0 1 291.351 2.134 20 5 CEBDMN C[C@H](NC(=O)CN(C)C1CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000863919880 646850352 /nfs/dbraw/zinc/85/03/52/646850352.db2.gz FHZXRDIWQUHCFV-NSHDSACASA-N 0 1 291.351 2.256 20 5 CEBDMN Cc1ccc(CNCc2cnc3n2CCC3)cc1[N+](=O)[O-] ZINC000865787717 647465095 /nfs/dbraw/zinc/46/50/95/647465095.db2.gz RSCCIRJXVVDWSA-UHFFFAOYSA-N 0 1 286.335 2.336 20 5 CEBDMN C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])NCc1cocn1 ZINC000866319884 647735239 /nfs/dbraw/zinc/73/52/39/647735239.db2.gz CVTFWDGLZBSSEF-VIFPVBQESA-N 0 1 279.271 2.443 20 5 CEBDMN CC[C@H](C)[C@@H](C)NC(=O)[C@](C)(N)c1cccc([N+](=O)[O-])c1 ZINC000867942746 647996225 /nfs/dbraw/zinc/99/62/25/647996225.db2.gz VXTJPPRPXVGEET-FIXISWKDSA-N 0 1 293.367 2.320 20 5 CEBDMN CCO[C@@H]1C[C@@H](N(C)CC[N+](=O)[O-])C12CCCCC2 ZINC000791052947 648476370 /nfs/dbraw/zinc/47/63/70/648476370.db2.gz PWNKMPRARSISIG-CHWSQXEVSA-N 0 1 270.373 2.323 20 5 CEBDMN CCc1cc(CCCOC(=O)c2ccc([N+](=O)[O-])[nH]2)on1 ZINC000793453142 648761423 /nfs/dbraw/zinc/76/14/23/648761423.db2.gz LGDQHUIHOSEWRM-UHFFFAOYSA-N 0 1 293.279 2.263 20 5 CEBDMN C[C@@H](N[C@@H]1CCC(=O)N(C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872037166 649249221 /nfs/dbraw/zinc/24/92/21/649249221.db2.gz BNGRUHPHOXCJMO-NXEZZACHSA-N 0 1 295.314 2.005 20 5 CEBDMN CO[C@@]1(CN[C@H](C)c2c(F)cccc2[N+](=O)[O-])CCOC1 ZINC000872062212 649258727 /nfs/dbraw/zinc/25/87/27/649258727.db2.gz LAKGDYZIEFSDHA-QMTHXVAHSA-N 0 1 298.314 2.190 20 5 CEBDMN CN1CCC[C@H]2[C@H]1CCN2c1ncc([N+](=O)[O-])cc1Cl ZINC000872781730 649488756 /nfs/dbraw/zinc/48/87/56/649488756.db2.gz XWAHCWQHJLTSER-NEPJUHHUSA-N 0 1 296.758 2.316 20 5 CEBDMN CC1(C)C[C@@H](O)CN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000879618112 651330789 /nfs/dbraw/zinc/33/07/89/651330789.db2.gz RPKZEXNEEDYBTG-GFCCVEGCSA-N 0 1 294.351 2.066 20 5 CEBDMN CC[NH+](CC)CCCOC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000800186107 652678137 /nfs/dbraw/zinc/67/81/37/652678137.db2.gz SMROLVFSFBOBKN-UHFFFAOYSA-N 0 1 296.323 2.189 20 5 CEBDMN C[C@@H]1CN(C)[C@@H](C)CN1c1cc(Cl)ncc1[N+](=O)[O-] ZINC001164642313 719168835 /nfs/dbraw/zinc/16/88/35/719168835.db2.gz XJDBMFKOCUGGMF-DTWKUNHWSA-N 0 1 284.747 2.172 20 5 CEBDMN Cc1cc(C)c([N+](=O)[O-])c(N2C[C@@H](C)N(C)C[C@H]2C)n1 ZINC000408169518 719209977 /nfs/dbraw/zinc/20/99/77/719209977.db2.gz OCLVZJAEQVEYPR-VXGBXAGGSA-N 0 1 278.356 2.135 20 5 CEBDMN CN1CCCN(C(=O)c2cccc([N+](=O)[O-])c2Cl)CC1 ZINC000160367482 806868730 /nfs/dbraw/zinc/86/87/30/806868730.db2.gz XRZZHOPAKBBRDL-UHFFFAOYSA-N 0 1 297.742 2.026 20 5 CEBDMN O=C(CC1CCC1)NCCNCc1csc([N+](=O)[O-])c1 ZINC001125270416 802326311 /nfs/dbraw/zinc/32/63/11/802326311.db2.gz MNPZZLQEVJEFCH-UHFFFAOYSA-N 0 1 297.380 2.052 20 5 CEBDMN CC(C)CNC(=O)CN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000134892526 803079556 /nfs/dbraw/zinc/07/95/56/803079556.db2.gz OKPUBFAEYPQIRW-LLVKDONJSA-N 0 1 279.340 2.018 20 5 CEBDMN CCn1ncnc1CSCc1cc(O)ccc1[N+](=O)[O-] ZINC001118294240 815001475 /nfs/dbraw/zinc/00/14/75/815001475.db2.gz RHSPAMZEMRGENV-UHFFFAOYSA-N 0 1 294.336 2.345 20 5 CEBDMN CC(C)N(Cc1cc(F)ccc1[N+](=O)[O-])C[C@@H](C)O ZINC000709506532 809962698 /nfs/dbraw/zinc/96/26/98/809962698.db2.gz CTGBKRGUZBUKKW-SNVBAGLBSA-N 0 1 270.304 2.325 20 5 CEBDMN CCN1CC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000712335487 811193404 /nfs/dbraw/zinc/19/34/04/811193404.db2.gz KKVGJAJFNNASBA-SNVBAGLBSA-N 0 1 297.742 2.072 20 5 CEBDMN COc1cccc2c1CN([C@H]1CC[C@H](C[N+](=O)[O-])C1)CC2 ZINC001169007648 811331396 /nfs/dbraw/zinc/33/13/96/811331396.db2.gz OWYAWPPEJHPLBH-JSGCOSHPSA-N 0 1 290.363 2.499 20 5 CEBDMN C[C@@H]1[C@H](C)N(C)CCN1c1ccc([N+](=O)[O-])cc1F ZINC000771287900 811954586 /nfs/dbraw/zinc/95/45/86/811954586.db2.gz NFSMVNPMTHJCCC-VHSXEESVSA-N 0 1 267.304 2.263 20 5 CEBDMN CCCCCC(=O)NCCNCc1ccccc1[N+](=O)[O-] ZINC001123573395 815533600 /nfs/dbraw/zinc/53/36/00/815533600.db2.gz GSTIQMCUCQXUTI-UHFFFAOYSA-N 0 1 293.367 2.381 20 5 CEBDMN CN1CCN(c2ncc(F)cc2[N+](=O)[O-])C2(CCCC2)C1 ZINC001158408193 812690436 /nfs/dbraw/zinc/69/04/36/812690436.db2.gz BLCACBHYPAUPLR-UHFFFAOYSA-N 0 1 294.330 2.194 20 5 CEBDMN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1C=C(N)C=CC1 ZINC001173220931 815625875 /nfs/dbraw/zinc/62/58/75/815625875.db2.gz IMXFFPZPSJFGHJ-LLVKDONJSA-N 0 1 259.309 2.198 20 5 CEBDMN O=c1cc(Nc2ccc([N+](=O)[O-])cc2)nc(Cl)[nH]1 ZINC001174477350 816018853 /nfs/dbraw/zinc/01/88/53/816018853.db2.gz ODKDFGNMOKPZDS-UHFFFAOYSA-N 0 1 266.644 2.487 20 5 CEBDMN CC[C@@H](C)N1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000273090729 192040226 /nfs/dbraw/zinc/04/02/26/192040226.db2.gz NVOZMVSJNLECQX-GFCCVEGCSA-N 0 1 291.351 2.151 20 5 CEBDMN Cc1ccc([C@@H](C)N[C@H]2CCCCNC2=O)cc1[N+](=O)[O-] ZINC000036976543 361877057 /nfs/dbraw/zinc/87/70/57/361877057.db2.gz LNDXWBNIQSWXLD-YPMHNXCESA-N 0 1 291.351 2.223 20 5 CEBDMN C[C@@H](Cn1cccn1)NCc1csc([N+](=O)[O-])c1 ZINC000037563122 361903164 /nfs/dbraw/zinc/90/31/64/361903164.db2.gz OTYBQHOYAMKUSN-VIFPVBQESA-N 0 1 266.326 2.031 20 5 CEBDMN CCc1c(C)[nH]n(-c2ccc([N+](=O)[O-])cc2OC)c1=O ZINC000601936558 346932437 /nfs/dbraw/zinc/93/24/37/346932437.db2.gz UIXYHQYKJIPCCY-JTQLQIEISA-N 0 1 277.280 2.352 20 5 CEBDMN Cc1[nH]n(-c2ccc([N+](=O)[O-])cc2)c(=O)c1C1CC1 ZINC000601938510 346933834 /nfs/dbraw/zinc/93/38/34/346933834.db2.gz KYYNHWVLERUOAJ-GFCCVEGCSA-N 0 1 259.265 2.344 20 5 CEBDMN CNC(=O)[C@H](CC(C)C)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000037160763 343425456 /nfs/dbraw/zinc/42/54/56/343425456.db2.gz IYQRGCPMFSOHSJ-RISCZKNCSA-N 0 1 293.367 2.406 20 5 CEBDMN Cc1ccc([N+](=O)[O-])c(OCc2nc(C(C)(C)N)no2)c1 ZINC000043402657 343463775 /nfs/dbraw/zinc/46/37/75/343463775.db2.gz DSZNODHYDHVZJJ-UHFFFAOYSA-N 0 1 292.295 2.059 20 5 CEBDMN COc1ccc([C@@H]2CCCN2C(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC000046914777 343507262 /nfs/dbraw/zinc/50/72/62/343507262.db2.gz DZWOHHCYWWNDIY-RDBSUJKOSA-N 0 1 290.319 2.024 20 5 CEBDMN Cc1cnc(NCc2n[nH]c(C(C)C)n2)c([N+](=O)[O-])c1 ZINC000295030836 199309375 /nfs/dbraw/zinc/30/93/75/199309375.db2.gz VPQGAWDGMASUID-UHFFFAOYSA-N 0 1 276.300 2.152 20 5 CEBDMN CN(C)[C@H](CNc1ccc([N+](=O)[O-])cn1)c1ccco1 ZINC000072672707 343808872 /nfs/dbraw/zinc/80/88/72/343808872.db2.gz IYABPQYFDGTEQO-LLVKDONJSA-N 0 1 276.296 2.298 20 5 CEBDMN O=C([C@H]1CC1[N+](=O)[O-])N1CCC(c2ccc(F)cc2)CC1 ZINC000081681213 344062242 /nfs/dbraw/zinc/06/22/42/344062242.db2.gz KJRGCURFZCFVKR-UONOGXRCSA-N 0 1 292.310 2.197 20 5 CEBDMN COCC[C@@H](C)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000088484239 344110257 /nfs/dbraw/zinc/11/02/57/344110257.db2.gz PCMZANYJLBKWNS-CYBMUJFWSA-N 0 1 293.367 2.142 20 5 CEBDMN COC[C@H]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000083207460 344075916 /nfs/dbraw/zinc/07/59/16/344075916.db2.gz APIMCNIXBPVPHI-JTQLQIEISA-N 0 1 291.307 2.204 20 5 CEBDMN O=[N+]([O-])c1cccc(CN2CCC(c3nnc[nH]3)CC2)c1 ZINC000083444669 344077151 /nfs/dbraw/zinc/07/71/51/344077151.db2.gz QYFIGIUUNAFMHQ-UHFFFAOYSA-N 0 1 287.323 2.093 20 5 CEBDMN C[C@@H](O)[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000089929703 344131293 /nfs/dbraw/zinc/13/12/93/344131293.db2.gz ZFMZIKBIHGLCRX-GHMZBOCLSA-N 0 1 282.315 2.327 20 5 CEBDMN C[C@H]1C[C@H](N(C)Cc2cc([O-])ccc2[N+](=O)[O-])CC[N@H+]1C ZINC000093643694 344228113 /nfs/dbraw/zinc/22/81/13/344228113.db2.gz VNZAVKDJNGLIRA-WCQYABFASA-N 0 1 293.367 2.215 20 5 CEBDMN CC[N@@H+](Cc1cc([O-])ccc1[N+](=O)[O-])C[C@H]1CCCO1 ZINC000092406771 344187626 /nfs/dbraw/zinc/18/76/26/344187626.db2.gz VOQFZCRHUFUVNB-CYBMUJFWSA-N 0 1 280.324 2.301 20 5 CEBDMN CC[N@H+](Cc1cc([O-])ccc1[N+](=O)[O-])C[C@H]1CCCO1 ZINC000092406771 344187628 /nfs/dbraw/zinc/18/76/28/344187628.db2.gz VOQFZCRHUFUVNB-CYBMUJFWSA-N 0 1 280.324 2.301 20 5 CEBDMN CCS[C@@H]1CC[C@@H](N(C)Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602484404 347054740 /nfs/dbraw/zinc/05/47/40/347054740.db2.gz OOMWDWFASNHTBO-VXGBXAGGSA-N 0 1 298.412 2.434 20 5 CEBDMN Cc1c(-c2nc([C@@H]3CCCN3)no2)cccc1[N+](=O)[O-] ZINC000228560599 344560750 /nfs/dbraw/zinc/56/07/50/344560750.db2.gz ZIABULCQBROTBZ-JTQLQIEISA-N 0 1 274.280 2.378 20 5 CEBDMN COc1ccc(-c2nc([C@@H]3CCCN3)no2)cc1[N+](=O)[O-] ZINC000228560615 344561023 /nfs/dbraw/zinc/56/10/23/344561023.db2.gz TXTWTXSXNFWKIT-VIFPVBQESA-N 0 1 290.279 2.078 20 5 CEBDMN COc1ccc(CN2CCC[C@@H](CO)CC2)cc1[N+](=O)[O-] ZINC000293346438 344691919 /nfs/dbraw/zinc/69/19/19/344691919.db2.gz YZHRGUUKONXZLP-GFCCVEGCSA-N 0 1 294.351 2.198 20 5 CEBDMN C[C@H](C(=O)[O-])[N@@H+](C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000054067527 362507380 /nfs/dbraw/zinc/50/73/80/362507380.db2.gz JEEPXYRWBIXHBD-SSDOTTSWSA-N 0 1 272.688 2.153 20 5 CEBDMN O=[N+]([O-])c1ccccc1CN1CCC[C@@H]2COC[C@@H]21 ZINC000590972136 345207836 /nfs/dbraw/zinc/20/78/36/345207836.db2.gz HXTGTYKUCBLMIP-OCCSQVGLSA-N 0 1 262.309 2.206 20 5 CEBDMN COc1ccc([N+](=O)[O-])cc1-c1nc([C@@H]2CCCN2)no1 ZINC000592356962 345345140 /nfs/dbraw/zinc/34/51/40/345345140.db2.gz NKJHEQORJDNTQE-JTQLQIEISA-N 0 1 290.279 2.078 20 5 CEBDMN CC[C@@H](C(=O)[O-])[N@@H+](C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000593332395 345467989 /nfs/dbraw/zinc/46/79/89/345467989.db2.gz MHBLJMYWTTZIGX-VFFGBVLKSA-N 0 1 278.308 2.403 20 5 CEBDMN NC(=O)c1ccc(CN2C[C@@H]3CCCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000595565271 345815196 /nfs/dbraw/zinc/81/51/96/345815196.db2.gz DQZRVNPGTSUWSB-AAEUAGOBSA-N 0 1 289.335 2.068 20 5 CEBDMN CCO[C@H]1COCC[C@@H]1NCc1ccc(F)cc1[N+](=O)[O-] ZINC000595450637 345786167 /nfs/dbraw/zinc/78/61/67/345786167.db2.gz UQDMWRMIPVUSRN-JSGCOSHPSA-N 0 1 298.314 2.018 20 5 CEBDMN COc1cc([N+](=O)[O-])ccc1CN1C[C@@H](C)[C@H](O)[C@@H](C)C1 ZINC000595731363 345861655 /nfs/dbraw/zinc/86/16/55/345861655.db2.gz DHGVXTZASWVPQO-HBYGRHMLSA-N 0 1 294.351 2.052 20 5 CEBDMN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC2CC1(C)C2 ZINC000595917610 345912861 /nfs/dbraw/zinc/91/28/61/345912861.db2.gz ZIVGSYPGPPYSET-RWWNRMGGSA-N 0 1 289.335 2.406 20 5 CEBDMN Cc1cc(NCCCCN2CCOCC2)c([N+](=O)[O-])s1 ZINC000596077198 345934164 /nfs/dbraw/zinc/93/41/64/345934164.db2.gz MVAYTWCSFCWXLE-UHFFFAOYSA-N 0 1 299.396 2.489 20 5 CEBDMN CCOc1ccc([N+](=O)[O-])cc1CN1CCN(CC)CC1 ZINC000175060462 232304793 /nfs/dbraw/zinc/30/47/93/232304793.db2.gz GFVJPFWSVFQGOI-UHFFFAOYSA-N 0 1 293.367 2.131 20 5 CEBDMN C[C@H](O)C1(NCc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000597233969 346156552 /nfs/dbraw/zinc/15/65/52/346156552.db2.gz DQIXNNYVGWENII-QMMMGPOBSA-N 0 1 270.716 2.251 20 5 CEBDMN CC[C@@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000598233535 346311967 /nfs/dbraw/zinc/31/19/67/346311967.db2.gz OYOHHXGRXSXKBH-LLVKDONJSA-N 0 1 288.307 2.390 20 5 CEBDMN O=C([O-])[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000062133270 362710776 /nfs/dbraw/zinc/71/07/76/362710776.db2.gz KRUSUAKTAJMGCS-SECBINFHSA-N 0 1 284.699 2.155 20 5 CEBDMN COc1ccc([N+](=O)[O-])cc1CN1CC[C@@H](C)[C@H](CO)C1 ZINC000598646607 346392231 /nfs/dbraw/zinc/39/22/31/346392231.db2.gz URLPRJJDTFIPHW-YPMHNXCESA-N 0 1 294.351 2.054 20 5 CEBDMN CC(C)c1[nH]nc(C(=O)N(C2CC2)C2CC2)c1[N+](=O)[O-] ZINC000600361901 346635371 /nfs/dbraw/zinc/63/53/71/346635371.db2.gz ZHLPEGNBPNXXHN-UHFFFAOYSA-N 0 1 278.312 2.208 20 5 CEBDMN Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC000600800248 346692269 /nfs/dbraw/zinc/69/22/69/346692269.db2.gz JYZMQCJMGPSUDR-RISCZKNCSA-N 0 1 292.335 2.446 20 5 CEBDMN CCC1(CC)CN(Cc2cn(C)nc2[N+](=O)[O-])CCS1 ZINC000602615541 347104528 /nfs/dbraw/zinc/10/45/28/347104528.db2.gz FDZFLZXQYUJMBK-UHFFFAOYSA-N 0 1 298.412 2.436 20 5 CEBDMN CCC1(CNCc2nc3cc([N+](=O)[O-])ccc3o2)COC1 ZINC000602681518 347141571 /nfs/dbraw/zinc/14/15/71/347141571.db2.gz BACHTIUUGYMHIJ-UHFFFAOYSA-N 0 1 291.307 2.252 20 5 CEBDMN Cc1ncc([N+](=O)[O-])n1CCNC(C)(C)c1nccs1 ZINC000602791096 347199623 /nfs/dbraw/zinc/19/96/23/347199623.db2.gz QYNKNIMVOICPKP-UHFFFAOYSA-N 0 1 295.368 2.081 20 5 CEBDMN CC(C)(C)OCCN[C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000602962101 347257640 /nfs/dbraw/zinc/25/76/40/347257640.db2.gz GWLUBJDDASTKSX-HNNXBMFYSA-N 0 1 296.367 2.207 20 5 CEBDMN CN[C@@H](C)c1cn([C@@H](C)c2cc([N+](=O)[O-])ccc2C)nn1 ZINC000603249318 347321385 /nfs/dbraw/zinc/32/13/85/347321385.db2.gz GQOAILACKKIEDE-QWRGUYRKSA-N 0 1 289.339 2.384 20 5 CEBDMN COC[C@H]1CCCN1Cc1cc([N+](=O)[O-])ccc1OC ZINC000610604911 347695655 /nfs/dbraw/zinc/69/56/55/347695655.db2.gz FWIRSINNADWPJC-CYBMUJFWSA-N 0 1 280.324 2.214 20 5 CEBDMN Cc1ncc([N+](=O)[O-])cc1-c1nc([C@@H](N)CC(C)C)no1 ZINC000339388292 215139077 /nfs/dbraw/zinc/13/90/77/215139077.db2.gz VADSWRNUKIOQFX-NSHDSACASA-N 0 1 291.311 2.394 20 5 CEBDMN C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2F)[C@@H](C)CN1C ZINC000351937669 219254996 /nfs/dbraw/zinc/25/49/96/219254996.db2.gz UWQCHIFUCAAXPN-MNOVXSKESA-N 0 1 281.331 2.258 20 5 CEBDMN C[C@@H]1CN(Cc2c(F)cccc2[N+](=O)[O-])C[C@@H](C)N1C ZINC000339619722 215272164 /nfs/dbraw/zinc/27/21/64/215272164.db2.gz XNPRMPBWXRAPPN-GHMZBOCLSA-N 0 1 281.331 2.258 20 5 CEBDMN C[C@H]1[C@H](CO)CCCN1Cc1ccc([N+](=O)[O-])cc1F ZINC000412101315 233339634 /nfs/dbraw/zinc/33/96/34/233339634.db2.gz YQNUUWZCTSSGJB-JQWIXIFHSA-N 0 1 282.315 2.327 20 5 CEBDMN CCOCCN(CC)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000107679971 186185546 /nfs/dbraw/zinc/18/55/46/186185546.db2.gz CREGVJJQCKRYPK-UHFFFAOYSA-N 0 1 282.340 2.462 20 5 CEBDMN CC[C@@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000109627472 186269364 /nfs/dbraw/zinc/26/93/64/186269364.db2.gz KTKAPVLOXYQBHL-MRVPVSSYSA-N 0 1 289.295 2.365 20 5 CEBDMN Cc1c(CN(C)CCn2cccn2)cccc1[N+](=O)[O-] ZINC000111279684 186388375 /nfs/dbraw/zinc/38/83/75/186388375.db2.gz XOGVMGWADKPVNP-UHFFFAOYSA-N 0 1 274.324 2.232 20 5 CEBDMN C[C@H]1OCCN(CCCOc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000156163119 188245884 /nfs/dbraw/zinc/24/58/84/188245884.db2.gz ZYDFNDOPJBJTHO-QWHCGFSZSA-N 0 1 294.351 2.473 20 5 CEBDMN C[C@@H]1CC(C)(C)CC[C@H]1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000132193472 366125378 /nfs/dbraw/zinc/12/53/78/366125378.db2.gz LMRWFFQZVYFEHJ-RKDXNWHRSA-N 0 1 280.328 2.263 20 5 CEBDMN CCS[C@H]1CCC[C@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000132206764 366126589 /nfs/dbraw/zinc/12/65/89/366126589.db2.gz RDZCBKLLYROULB-IUCAKERBSA-N 0 1 298.368 2.112 20 5 CEBDMN CCCC[C@@H]1CCC[C@H]1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000132480234 366147027 /nfs/dbraw/zinc/14/70/27/366147027.db2.gz GWXMFJIGZKFHDK-NXEZZACHSA-N 0 1 280.328 2.407 20 5 CEBDMN CCN1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000133432014 366223962 /nfs/dbraw/zinc/22/39/62/366223962.db2.gz WDKDBOOHZZPPLZ-UHFFFAOYSA-N 0 1 291.351 2.071 20 5 CEBDMN C[C@@H](NCCn1ccc([N+](=O)[O-])n1)c1c(F)cccc1F ZINC000271750269 191304470 /nfs/dbraw/zinc/30/44/70/191304470.db2.gz KKIBFRYDGLFOEG-SECBINFHSA-N 0 1 296.277 2.420 20 5 CEBDMN COCCN(CC(C)C)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272570778 191793679 /nfs/dbraw/zinc/79/36/79/191793679.db2.gz MXAKWVBYMWLAHX-UHFFFAOYSA-N 0 1 296.323 2.045 20 5 CEBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CC[C@@H]1C1CC1 ZINC000452495835 283302592 /nfs/dbraw/zinc/30/25/92/283302592.db2.gz DZAMYRRCHAXKFL-GFCCVEGCSA-N 0 1 286.291 2.096 20 5 CEBDMN Cc1ccc(NCCCc2nc[nH]n2)c([N+](=O)[O-])c1 ZINC000080588711 363671865 /nfs/dbraw/zinc/67/18/65/363671865.db2.gz BBQWBSTUDFKTHZ-UHFFFAOYSA-N 0 1 261.285 2.066 20 5 CEBDMN COC(=O)C[C@@H]1CCCN1Cc1ccccc1[N+](=O)[O-] ZINC000179124005 189171478 /nfs/dbraw/zinc/17/14/78/189171478.db2.gz WHSXYOAYIPZNOX-LBPRGKRZSA-N 0 1 278.308 2.122 20 5 CEBDMN C[C@@H](CC1CC1)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356593103 370766370 /nfs/dbraw/zinc/76/63/70/370766370.db2.gz KXKAOGAOEBDWBC-QMMMGPOBSA-N 0 1 264.281 2.219 20 5 CEBDMN O=C(NCc1c(F)cccc1Cl)c1n[nH]cc1[N+](=O)[O-] ZINC000343170235 367694742 /nfs/dbraw/zinc/69/47/42/367694742.db2.gz FOSLWTZXNWKILI-UHFFFAOYSA-N 0 1 298.661 2.040 20 5 CEBDMN C[C@H]1CSCCN1CCOc1cccc([N+](=O)[O-])c1 ZINC000172594269 367784351 /nfs/dbraw/zinc/78/43/51/367784351.db2.gz VLJNHXJLEUZSIR-NSHDSACASA-N 0 1 282.365 2.411 20 5 CEBDMN CC[C@@H](NCC(=O)NCC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000181547072 368469262 /nfs/dbraw/zinc/46/92/62/368469262.db2.gz FSZJSBIJGOHTOU-CQSZACIVSA-N 0 1 291.351 2.162 20 5 CEBDMN CCN1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000182031336 368516897 /nfs/dbraw/zinc/51/68/97/368516897.db2.gz VMFYLHJGEPTYKD-UHFFFAOYSA-N 0 1 283.759 2.386 20 5 CEBDMN CCN(C)C(=O)[C@H](C)N[C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000189410102 369512413 /nfs/dbraw/zinc/51/24/13/369512413.db2.gz NCCIAVGUKCGMDT-NEPJUHHUSA-N 0 1 293.367 2.421 20 5 CEBDMN CN(Cc1ccc([N+](=O)[O-])cc1F)[C@H]1CCC[C@H]1O ZINC000352668216 369826842 /nfs/dbraw/zinc/82/68/42/369826842.db2.gz QKSLOLZHGWLCRT-QWHCGFSZSA-N 0 1 268.288 2.079 20 5 CEBDMN CCc1[nH]nc(C(=O)N(C(C)C)C2CCC2)c1[N+](=O)[O-] ZINC000192609339 369833670 /nfs/dbraw/zinc/83/36/70/369833670.db2.gz IBMRCALAOJVYTE-UHFFFAOYSA-N 0 1 280.328 2.283 20 5 CEBDMN Cc1ccc(CNCC2(C)OCCCO2)cc1[N+](=O)[O-] ZINC000192252040 369786468 /nfs/dbraw/zinc/78/64/68/369786468.db2.gz SXZAQBBNUVVIBW-UHFFFAOYSA-N 0 1 280.324 2.146 20 5 CEBDMN Cc1cc(CCNCc2csc([N+](=O)[O-])c2)on1 ZINC000353096573 370016935 /nfs/dbraw/zinc/01/69/35/370016935.db2.gz YZFNMGKYRQAWRB-UHFFFAOYSA-N 0 1 267.310 2.285 20 5 CEBDMN CCN(Cc1ccc(OC)c([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000361228727 371726123 /nfs/dbraw/zinc/72/61/23/371726123.db2.gz NMNJJCAEKRTFKD-GFCCVEGCSA-N 0 1 280.324 2.214 20 5 CEBDMN CCCCCNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000269133732 372352167 /nfs/dbraw/zinc/35/21/67/372352167.db2.gz MEKKGACKAXVARS-UHFFFAOYSA-N 0 1 252.270 2.220 20 5 CEBDMN O=[N+]([O-])c1ccc(CN2CC[C@@]3(CCOC3)C2)cc1F ZINC000365285672 372819374 /nfs/dbraw/zinc/81/93/74/372819374.db2.gz ABMNOVPIYPXIGF-CQSZACIVSA-N 0 1 280.299 2.346 20 5 CEBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(c2ccsc2)CC1 ZINC000368880753 373284172 /nfs/dbraw/zinc/28/41/72/373284172.db2.gz BBXLJODWLAHUMC-NEPJUHHUSA-N 0 1 280.349 2.119 20 5 CEBDMN Cc1ccc(C[C@@H]2CCCN2C(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC000369301550 373381281 /nfs/dbraw/zinc/38/12/81/373381281.db2.gz JMJCKKMVAGHOOO-RRFJBIMHSA-N 0 1 288.347 2.194 20 5 CEBDMN Cn1cnc([N+](=O)[O-])c1CN1CC[C@H](c2ccccc2)C1 ZINC000370044794 373564529 /nfs/dbraw/zinc/56/45/29/373564529.db2.gz HUCJUWIBDKMSGI-ZDUSSCGKSA-N 0 1 286.335 2.318 20 5 CEBDMN Cc1ccc(CN2CCOC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000370183564 373600617 /nfs/dbraw/zinc/60/06/17/373600617.db2.gz LESXMLQHYYLNRI-NSHDSACASA-N 0 1 264.325 2.372 20 5 CEBDMN CO[C@@H]1CN([C@@H](C)c2ccccc2[N+](=O)[O-])C[C@@H]1OC ZINC000276853987 374325677 /nfs/dbraw/zinc/32/56/77/374325677.db2.gz JKDJISQZIWNGIL-LEWSCRJBSA-N 0 1 280.324 2.001 20 5 CEBDMN C[C@@H]1COCCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000374334920 374543158 /nfs/dbraw/zinc/54/31/58/374543158.db2.gz XYDHWFPZSKWOJF-NSHDSACASA-N 0 1 250.298 2.063 20 5 CEBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@H](Cc2ccccc2)C1 ZINC000377559285 374884801 /nfs/dbraw/zinc/88/48/01/374884801.db2.gz NBSJDJXIDZXFGD-KFWWJZLASA-N 0 1 288.347 2.133 20 5 CEBDMN Cc1c(CN2C[C@@H](O)C(C)(C)C2)cccc1[N+](=O)[O-] ZINC000279731785 374968563 /nfs/dbraw/zinc/96/85/63/374968563.db2.gz JRGDCPLPIKKQGO-CYBMUJFWSA-N 0 1 264.325 2.106 20 5 CEBDMN C[N@@H+](Cc1csc([N+](=O)[O-])c1)C1(C(=O)[O-])CCCC1 ZINC000382251338 375184905 /nfs/dbraw/zinc/18/49/05/375184905.db2.gz ANNJEBJBYOFPKE-UHFFFAOYSA-N 0 1 284.337 2.486 20 5 CEBDMN CC[C@H]1[C@@H](CO)CCN1Cc1ccc([N+](=O)[O-])cc1F ZINC000385762225 375244105 /nfs/dbraw/zinc/24/41/05/375244105.db2.gz XVKSEZWEVGSOQY-RISCZKNCSA-N 0 1 282.315 2.327 20 5 CEBDMN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@@H](O)C1 ZINC000263806655 190079820 /nfs/dbraw/zinc/07/98/20/190079820.db2.gz WGTHMNLIZGWSDD-GXFFZTMASA-N 0 1 250.298 2.113 20 5 CEBDMN CC[C@@H](N[C@H]1COC[C@@H]1OC)c1cccc([N+](=O)[O-])c1 ZINC000290215960 376689852 /nfs/dbraw/zinc/68/98/52/376689852.db2.gz QKGRVCDLTOTULO-RDBSUJKOSA-N 0 1 280.324 2.049 20 5 CEBDMN Cc1c(CNCc2cccc(C(N)=O)c2)cccc1[N+](=O)[O-] ZINC000319267107 376816110 /nfs/dbraw/zinc/81/61/10/376816110.db2.gz WVNYDDDZGGYQPO-UHFFFAOYSA-N 0 1 299.330 2.292 20 5 CEBDMN CO[C@H]1C[N@H+](Cc2cc([O-])ccc2[N+](=O)[O-])CC[C@H]1C ZINC000330458985 377144618 /nfs/dbraw/zinc/14/46/18/377144618.db2.gz SMFYAQQJFFBKKA-YGRLFVJLSA-N 0 1 280.324 2.157 20 5 CEBDMN CO[C@H]1C[N@@H+](Cc2cc([O-])ccc2[N+](=O)[O-])CC[C@H]1C ZINC000330458985 377144624 /nfs/dbraw/zinc/14/46/24/377144624.db2.gz SMFYAQQJFFBKKA-YGRLFVJLSA-N 0 1 280.324 2.157 20 5 CEBDMN CCOc1cc(CN2CC[C@H](C)[C@@H](O)C2)ccc1[N+](=O)[O-] ZINC000331154014 377304888 /nfs/dbraw/zinc/30/48/88/377304888.db2.gz IZXGOXRLXKSJNI-FZMZJTMJSA-N 0 1 294.351 2.196 20 5 CEBDMN COc1ccc(OCCN2C[C@@H](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000293525725 377609603 /nfs/dbraw/zinc/60/96/03/377609603.db2.gz WLJDMPXEMFQDJW-MNOVXSKESA-N 0 1 280.324 2.322 20 5 CEBDMN COc1cccc([N+](=O)[O-])c1NCCN1CC=CCC1 ZINC000565229318 377619203 /nfs/dbraw/zinc/61/92/03/377619203.db2.gz LLYIJDPBRHNYKC-UHFFFAOYSA-N 0 1 277.324 2.277 20 5 CEBDMN COc1ccc([N+](=O)[O-])cc1CN[C@@H]1COCC1(C)C ZINC000313067925 249378291 /nfs/dbraw/zinc/37/82/91/249378291.db2.gz QPHZKLNGPKKQNH-CYBMUJFWSA-N 0 1 280.324 2.118 20 5 CEBDMN Cc1ccc([N+](=O)[O-])c(NCCN2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000450785719 378578742 /nfs/dbraw/zinc/57/87/42/378578742.db2.gz BUACJPZTNYOMSI-BETUJISGSA-N 0 1 291.351 2.178 20 5 CEBDMN Cc1[nH]nc(C(=O)N2CCC[C@H]3CCCC[C@@H]32)c1[N+](=O)[O-] ZINC000299440576 378998501 /nfs/dbraw/zinc/99/85/01/378998501.db2.gz JZWOMFDFOPQVJO-MNOVXSKESA-N 0 1 292.339 2.421 20 5 CEBDMN COc1ccc([N+](=O)[O-])cc1CN(C)[C@H]1C[C@@H](OC)C1 ZINC000510104469 379114204 /nfs/dbraw/zinc/11/42/04/379114204.db2.gz LOCJSKNXJKIOAI-BETUJISGSA-N 0 1 280.324 2.213 20 5 CEBDMN CC(C)N1C[C@@H](N[C@@H](C)c2cccc([N+](=O)[O-])c2)CC1=O ZINC000266745081 190278047 /nfs/dbraw/zinc/27/80/47/190278047.db2.gz AMFOLEHGKKAAPQ-AAEUAGOBSA-N 0 1 291.351 2.255 20 5 CEBDMN CCC1(CC)CCN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])C1 ZINC000267994655 190368092 /nfs/dbraw/zinc/36/80/92/190368092.db2.gz KQNKIWHKOVBKRJ-UHFFFAOYSA-N 0 1 280.328 2.279 20 5 CEBDMN COCCN(Cc1cccc([N+](=O)[O-])c1)[C@@H]1CCO[C@@H]1C ZINC000489436156 380188899 /nfs/dbraw/zinc/18/88/99/380188899.db2.gz LSXXLMVEGNBTCK-IUODEOHRSA-N 0 1 294.351 2.221 20 5 CEBDMN O=[N+]([O-])c1c(F)cccc1N1CCN(C2CCC2)CC1 ZINC000264958183 285077005 /nfs/dbraw/zinc/07/70/05/285077005.db2.gz MUUZYXBRJNHHFU-UHFFFAOYSA-N 0 1 279.315 2.408 20 5 CEBDMN Cc1cnn(C)c1CN(C)CCc1ccccc1[N+](=O)[O-] ZINC000289087548 197231046 /nfs/dbraw/zinc/23/10/46/197231046.db2.gz BIAWGEZVYFBQFE-UHFFFAOYSA-N 0 1 288.351 2.311 20 5 CEBDMN O=[N+]([O-])c1ccsc1N1CC[C@@H](N2CC=CC2)C1 ZINC000301981936 285170349 /nfs/dbraw/zinc/17/03/49/285170349.db2.gz BDSAHNPWHCDTKE-SNVBAGLBSA-N 0 1 265.338 2.107 20 5 CEBDMN C[C@H](CF)NCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000288543905 197108619 /nfs/dbraw/zinc/10/86/19/197108619.db2.gz WYAQBPLPRWEPGO-SNVBAGLBSA-N 0 1 292.314 2.443 20 5 CEBDMN C[C@@H](CF)NCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000288543903 197108408 /nfs/dbraw/zinc/10/84/08/197108408.db2.gz WYAQBPLPRWEPGO-JTQLQIEISA-N 0 1 292.314 2.443 20 5 CEBDMN Cc1nc([C@H]2CCN(c3ccc(F)cc3[N+](=O)[O-])C2)n[nH]1 ZINC000413543271 394578195 /nfs/dbraw/zinc/57/81/95/394578195.db2.gz ACRPXGPOQZIZOF-VIFPVBQESA-N 0 1 291.286 2.154 20 5 CEBDMN Cc1nnc([C@H]2CCN(c3ccc(F)cc3[N+](=O)[O-])C2)[nH]1 ZINC000413543271 394578197 /nfs/dbraw/zinc/57/81/97/394578197.db2.gz ACRPXGPOQZIZOF-VIFPVBQESA-N 0 1 291.286 2.154 20 5 CEBDMN CC(C)(C)c1nc(CNc2ncc([N+](=O)[O-])cc2F)n[nH]1 ZINC000413404101 394544303 /nfs/dbraw/zinc/54/43/03/394544303.db2.gz DDBCHBYTRDHFPO-UHFFFAOYSA-N 0 1 294.290 2.157 20 5 CEBDMN CC(C)[C@@H]1CN(C(=O)c2ccccc2[N+](=O)[O-])CCN1C ZINC000331150681 394627454 /nfs/dbraw/zinc/62/74/54/394627454.db2.gz OIJNHBVNEWLGHC-AWEZNQCLSA-N 0 1 291.351 2.007 20 5 CEBDMN CCc1[nH]nc(C(=O)N2C[C@H](C)C[C@@H]2CC)c1[N+](=O)[O-] ZINC000332732973 394638875 /nfs/dbraw/zinc/63/88/75/394638875.db2.gz WNCZCUBICXHLFV-BDAKNGLRSA-N 0 1 280.328 2.141 20 5 CEBDMN Cc1cc(C2CCN(c3ncc([N+](=O)[O-])s3)CC2)[nH]n1 ZINC000281904232 394872368 /nfs/dbraw/zinc/87/23/68/394872368.db2.gz MYPSGDWIZGBHPT-UHFFFAOYSA-N 0 1 293.352 2.467 20 5 CEBDMN CCCc1[nH]nc(C(=O)N2C[C@H]3CCCC[C@H]32)c1[N+](=O)[O-] ZINC000365785998 394934077 /nfs/dbraw/zinc/93/40/77/394934077.db2.gz YMJMLWWJWSHQPL-MWLCHTKSSA-N 0 1 292.339 2.285 20 5 CEBDMN COC[C@@H](NCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1CC1 ZINC000284062825 394940620 /nfs/dbraw/zinc/94/06/20/394940620.db2.gz KEADIBOCUZJCBJ-GFCCVEGCSA-N 0 1 295.295 2.018 20 5 CEBDMN O=[N+]([O-])c1c(F)cccc1N1CCC[C@@H](c2nc[nH]n2)C1 ZINC000370843042 395017366 /nfs/dbraw/zinc/01/73/66/395017366.db2.gz LKNHPKZUYOVMEG-SECBINFHSA-N 0 1 291.286 2.236 20 5 CEBDMN Cc1cc(CN(C)CCc2cccc([N+](=O)[O-])c2)n(C)n1 ZINC000418036178 395178436 /nfs/dbraw/zinc/17/84/36/395178436.db2.gz BQOKZGRKNXWZCZ-UHFFFAOYSA-N 0 1 288.351 2.311 20 5 CEBDMN O=[N+]([O-])c1ccc(O)cc1CN1CCO[C@H]2CCC[C@@H]21 ZINC000338926032 296508095 /nfs/dbraw/zinc/50/80/95/296508095.db2.gz ODMZMQWZONRLEM-KBPBESRZSA-N 0 1 278.308 2.054 20 5 CEBDMN CC(C)N(CCc1ccc([N+](=O)[O-])cc1)C1COC1 ZINC000295265010 395291395 /nfs/dbraw/zinc/29/13/95/395291395.db2.gz BYKKTRBTXLXYCB-UHFFFAOYSA-N 0 1 264.325 2.247 20 5 CEBDMN Cc1[nH]nc(C(=O)N2CCC[C@H](C(C)C)C2)c1[N+](=O)[O-] ZINC000444521204 395434905 /nfs/dbraw/zinc/43/49/05/395434905.db2.gz LMMIDJWRKYWHKX-JTQLQIEISA-N 0 1 280.328 2.135 20 5 CEBDMN CC(C)N(Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C[C@@H](C)O ZINC000444610610 395439404 /nfs/dbraw/zinc/43/94/04/395439404.db2.gz OUUVAUSVWLMNFU-SNVBAGLBSA-N 0 1 292.339 2.062 20 5 CEBDMN CO[C@@H]1CC[N@@H+](Cc2cc([O-])ccc2[N+](=O)[O-])C[C@H]1C ZINC000449497099 395551264 /nfs/dbraw/zinc/55/12/64/395551264.db2.gz KEARXLUWKPBNHQ-QMTHXVAHSA-N 0 1 280.324 2.157 20 5 CEBDMN Cc1ccc(N2CCC[C@H](c3nc[nH]n3)C2)c([N+](=O)[O-])c1 ZINC000371271150 292134338 /nfs/dbraw/zinc/13/43/38/292134338.db2.gz NACFCQIEGGPDPE-NSHDSACASA-N 0 1 287.323 2.405 20 5 CEBDMN O=C(N[C@H]1CC[C@H](F)C1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000360356799 155280730 /nfs/dbraw/zinc/28/07/30/155280730.db2.gz WYWPHAGWHJXVPB-YUMQZZPRSA-N 0 1 292.270 2.092 20 5 CEBDMN Cc1ccc(C[N@H+]2C[C@H](C)C[C@@H](C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000263102900 154017842 /nfs/dbraw/zinc/01/78/42/154017842.db2.gz XDVVAJGQCFIXNW-ZWNOBZJWSA-N 0 1 292.335 2.446 20 5 CEBDMN COc1ccc([N+](=O)[O-])cc1CN1CC[C@@H](CO)C[C@H]1C ZINC000344183847 154276593 /nfs/dbraw/zinc/27/65/93/154276593.db2.gz UMRNWXFRLGCBRT-VXGBXAGGSA-N 0 1 294.351 2.196 20 5 CEBDMN C[C@@H]1CC[C@@]2(CCN(Cc3c([N+](=O)[O-])ncn3C)C2)C1 ZINC000368076457 156278196 /nfs/dbraw/zinc/27/81/96/156278196.db2.gz QEPUBTQFYUAQJA-BXUZGUMPSA-N 0 1 278.356 2.340 20 5 CEBDMN CCc1ccc([C@@H]2CCCN2C(=O)[C@@H]2CC2[N+](=O)[O-])o1 ZINC000368657570 156387519 /nfs/dbraw/zinc/38/75/19/156387519.db2.gz HEBPAIYDYFBFIF-GRYCIOLGSA-N 0 1 278.308 2.171 20 5 CEBDMN C[C@@H](c1cccc([N+](=O)[O-])c1)N1C[C@@H](O)C(C)(C)C1 ZINC000279710025 287144796 /nfs/dbraw/zinc/14/47/96/287144796.db2.gz HWIGJVFNZJMOFB-GXFFZTMASA-N 0 1 264.325 2.359 20 5 CEBDMN C[C@@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)C(C)(C)C ZINC000564463593 298830884 /nfs/dbraw/zinc/83/08/84/298830884.db2.gz XQKRCFVIOXFVDV-MRVPVSSYSA-N 0 1 266.297 2.465 20 5 CEBDMN Cc1cc(CN[C@H](C)c2ccc([N+](=O)[O-])cc2)n(C)n1 ZINC000284552286 196082558 /nfs/dbraw/zinc/08/25/58/196082558.db2.gz VYKRWLZJRMPBTO-LLVKDONJSA-N 0 1 274.324 2.488 20 5 CEBDMN C[C@@H](N[C@@H](C)c1cn[nH]c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285302605 196245496 /nfs/dbraw/zinc/24/54/96/196245496.db2.gz SDMNIPPFACUOEG-BDAKNGLRSA-N 0 1 275.312 2.312 20 5 CEBDMN CS[C@@H]1CC[C@@H]1NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000425335451 264011767 /nfs/dbraw/zinc/01/17/67/264011767.db2.gz IBRJKGHXNUXALS-CMPLNLGQSA-N 0 1 292.364 2.455 20 5 CEBDMN Cc1nc([C@H](C)N[C@H](C)c2ccccc2[N+](=O)[O-])n[nH]1 ZINC000392378303 270340124 /nfs/dbraw/zinc/34/01/24/270340124.db2.gz QDOLVGFPVGMTBU-BDAKNGLRSA-N 0 1 275.312 2.433 20 5 CEBDMN Cc1nc([C@@H](C)N[C@H](C)c2ccccc2[N+](=O)[O-])n[nH]1 ZINC000392378308 270340265 /nfs/dbraw/zinc/34/02/65/270340265.db2.gz QDOLVGFPVGMTBU-RKDXNWHRSA-N 0 1 275.312 2.433 20 5 CEBDMN CCc1[nH]nc(C(=O)N2C[C@H](C)CC(C)(C)C2)c1[N+](=O)[O-] ZINC000345999499 281363062 /nfs/dbraw/zinc/36/30/62/281363062.db2.gz OKRVEEUZRKOHIG-SECBINFHSA-N 0 1 294.355 2.389 20 5 CEBDMN C[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000158875453 289241714 /nfs/dbraw/zinc/24/17/14/289241714.db2.gz QUQVMFVFIFCBIW-ZETCQYMHSA-N 0 1 294.698 2.462 20 5 CEBDMN CC(C)OC1CC(N2CCc3ncc([N+](=O)[O-])cc3C2)C1 ZINC000459401450 290137708 /nfs/dbraw/zinc/13/77/08/290137708.db2.gz NVPSDNSEBSTIOT-UHFFFAOYSA-N 0 1 291.351 2.304 20 5 CEBDMN C[C@@H]1C[C@H](O)CN1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000471799385 290283998 /nfs/dbraw/zinc/28/39/98/290283998.db2.gz QDDPQYQSOXKDPD-YJLKIPLNSA-N 0 1 262.309 2.063 20 5 CEBDMN Cn1cncc1CN[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000563416685 518195468 /nfs/dbraw/zinc/19/54/68/518195468.db2.gz IKUDUEHABHTJMX-ZDUSSCGKSA-N 0 1 272.308 2.105 20 5 CEBDMN CCCN(C)CC(=O)Nc1ccc(OCC)cc1[N+](=O)[O-] ZINC000069092628 521481067 /nfs/dbraw/zinc/48/10/67/521481067.db2.gz IYONDJPNXIIUBN-UHFFFAOYSA-N 0 1 295.339 2.274 20 5 CEBDMN COc1ccc([N+](=O)[O-])cc1CNC[C@H]1CCC=CO1 ZINC000194419717 536956059 /nfs/dbraw/zinc/95/60/59/536956059.db2.gz PJJXCOFNMJCMFR-CYBMUJFWSA-N 0 1 278.308 2.386 20 5 CEBDMN CN(Cn1ncc2cc([N+](=O)[O-])ccc21)[C@H]1CCSC1 ZINC000125219973 649873599 /nfs/dbraw/zinc/87/35/99/649873599.db2.gz IPWOFQOFQVVRAY-LBPRGKRZSA-N 0 1 292.364 2.339 20 5 CEBDMN O=C(OC[C@@H]1CC1(Cl)Cl)c1ccc([N+](=O)[O-])[nH]1 ZINC000749198273 575208567 /nfs/dbraw/zinc/20/85/67/575208567.db2.gz HTXMKVUXRHHBHE-YFKPBYRVSA-N 0 1 279.079 2.274 20 5 CEBDMN O=[N+]([O-])c1cccc([C@@H](O)CNCc2ccco2)c1 ZINC000749644395 575228501 /nfs/dbraw/zinc/22/85/01/575228501.db2.gz FFHFLWMZGIHPKV-ZDUSSCGKSA-N 0 1 262.265 2.011 20 5 CEBDMN C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])CCC(=O)[O-] ZINC000820580052 598127308 /nfs/dbraw/zinc/12/73/08/598127308.db2.gz QUNZXDJSUSZUHU-XQRVVYSFSA-N 0 1 264.281 2.015 20 5 CEBDMN O=C(Oc1cc(F)cc(Cl)c1)[C@@H]1CC1[N+](=O)[O-] ZINC000875880476 649972253 /nfs/dbraw/zinc/97/22/53/649972253.db2.gz OLEKPNIGTOZUJM-RKDXNWHRSA-N 0 1 259.620 2.050 20 5 CEBDMN C[C@@H]1CN(c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)[C@@H](C)CN1C ZINC000893079834 627986466 /nfs/dbraw/zinc/98/64/66/627986466.db2.gz KJOZWEDNGJDSBK-ZJUUUORDSA-N 0 1 294.311 2.032 20 5 CEBDMN O=C(OCCCc1ccc(Cl)cc1)[C@@H]1CC1[N+](=O)[O-] ZINC000840671244 629298325 /nfs/dbraw/zinc/29/83/25/629298325.db2.gz RNYHWSCYOWKIPZ-VXGBXAGGSA-N 0 1 283.711 2.481 20 5 CEBDMN Cc1nc([C@@H](C)NCc2cccc([N+](=O)[O-])c2C)n[nH]1 ZINC000894779161 629634208 /nfs/dbraw/zinc/63/42/08/629634208.db2.gz VTJWLBNAXJTFKE-SECBINFHSA-N 0 1 275.312 2.181 20 5 CEBDMN O=[N+]([O-])c1ccc(CNCCO[C@H]2CCCCO2)c(F)c1 ZINC000894798195 629646833 /nfs/dbraw/zinc/64/68/33/629646833.db2.gz COYNWZBXLCDQTK-AWEZNQCLSA-N 0 1 298.314 2.367 20 5 CEBDMN CN1CCN(c2ncccc2[N+](=O)[O-])C[C@H]1C(C)(C)C ZINC000895098859 629892383 /nfs/dbraw/zinc/89/23/83/629892383.db2.gz CIPOLPSEPYXOLL-LBPRGKRZSA-N 0 1 278.356 2.156 20 5 CEBDMN Cc1nc([C@H](C)OC(=O)c2cccc([N+](=O)[O-])c2C)n[nH]1 ZINC000840019523 631636220 /nfs/dbraw/zinc/63/62/20/631636220.db2.gz MNGHMRSGCZZUQI-QMMMGPOBSA-N 0 1 290.279 2.248 20 5 CEBDMN CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])[C@H]1CCCC[C@H]1C ZINC000840311614 632784524 /nfs/dbraw/zinc/78/45/24/632784524.db2.gz FICCCSCIPWDUIE-WISYIIOYSA-N 0 1 254.330 2.079 20 5 CEBDMN CC[C@H]1C[N@@H+](C)CCN1c1ccc([N+](=O)[O-])cc1F ZINC000814938126 632936470 /nfs/dbraw/zinc/93/64/70/632936470.db2.gz WKCHPPSSDLUUBA-JTQLQIEISA-N 0 1 267.304 2.264 20 5 CEBDMN CC[C@H]1CN(C)CCN1c1ccc([N+](=O)[O-])cc1F ZINC000814938126 632936473 /nfs/dbraw/zinc/93/64/73/632936473.db2.gz WKCHPPSSDLUUBA-JTQLQIEISA-N 0 1 267.304 2.264 20 5 CEBDMN C[C@@H](C[N@@H+](C)C/C=C\c1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC000901598281 634205083 /nfs/dbraw/zinc/20/50/83/634205083.db2.gz LZNITNDUQPQPNJ-XOIDGJRKSA-N 0 1 278.308 2.261 20 5 CEBDMN COc1c(OC(=O)[C@@H]2CC2[N+](=O)[O-])ccc2ccccc21 ZINC000840472487 634950305 /nfs/dbraw/zinc/95/03/05/634950305.db2.gz LPUZFMFRCMRQGY-VXGBXAGGSA-N 0 1 287.271 2.419 20 5 CEBDMN COc1cc([C@H](C)NCc2cnn(C)c2)cc([N+](=O)[O-])c1 ZINC000903075941 634958160 /nfs/dbraw/zinc/95/81/60/634958160.db2.gz HKIUXFRDOLCOFS-JTQLQIEISA-N 0 1 290.323 2.188 20 5 CEBDMN COc1cc([C@H](C)NCc2c[nH]nc2C)cc([N+](=O)[O-])c1 ZINC000903120213 634980473 /nfs/dbraw/zinc/98/04/73/634980473.db2.gz MFJNFKANIBHVIX-VIFPVBQESA-N 0 1 290.323 2.486 20 5 CEBDMN O=[N+]([O-])CCN[C@@H]1C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000905436758 636280340 /nfs/dbraw/zinc/28/03/40/636280340.db2.gz IJKFGUZUFZPKJW-WDEREUQCSA-N 0 1 274.242 2.428 20 5 CEBDMN O=C(CCN1CC[C@H](F)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000830480780 637081620 /nfs/dbraw/zinc/08/16/20/637081620.db2.gz TWVFNNLHIAKKSN-VIFPVBQESA-N 0 1 299.277 2.106 20 5 CEBDMN C[C@@]1(C2CCCCC2)CCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000831202919 637253570 /nfs/dbraw/zinc/25/35/70/637253570.db2.gz QTSDRIGAPUVMML-BZPMIXESSA-N 0 1 266.341 2.223 20 5 CEBDMN Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+](CC(N)=O)CC(C)C ZINC000876599383 650354319 /nfs/dbraw/zinc/35/43/19/650354319.db2.gz ZIEGGHXKENVTSH-UHFFFAOYSA-N 0 1 293.367 2.155 20 5 CEBDMN Cc1ccc([N+](=O)[O-])c(C)c1CN(CC(N)=O)CC(C)C ZINC000876599383 650354324 /nfs/dbraw/zinc/35/43/24/650354324.db2.gz ZIEGGHXKENVTSH-UHFFFAOYSA-N 0 1 293.367 2.155 20 5 CEBDMN Cn1cc(CN2CCC3(CCCC3)C2)c([N+](=O)[O-])n1 ZINC000876724945 650410411 /nfs/dbraw/zinc/41/04/11/650410411.db2.gz KHPVWDZZKALPFX-UHFFFAOYSA-N 0 1 264.329 2.094 20 5 CEBDMN Cc1ccc([N+](=O)[O-])c(C)c1CN1CCc2cn[nH]c2C1 ZINC000876758165 650422794 /nfs/dbraw/zinc/42/27/94/650422794.db2.gz DSIWZXAFJUGVKA-UHFFFAOYSA-N 0 1 286.335 2.493 20 5 CEBDMN CC(C)CO[C@H]1C[C@H](OC(=O)[C@@H]2CC2[N+](=O)[O-])C1(C)C ZINC000842310194 639614494 /nfs/dbraw/zinc/61/44/94/639614494.db2.gz WMDCVTLLFLBWMW-WYUUTHIRSA-N 0 1 285.340 2.035 20 5 CEBDMN CO[C@H](CC(C)C)C(=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000842113980 639959724 /nfs/dbraw/zinc/95/97/24/639959724.db2.gz KJZFHASDWDKVKF-CYBMUJFWSA-N 0 1 297.307 2.405 20 5 CEBDMN CC(C)[C@H](N)c1noc(COc2ccc([N+](=O)[O-])cc2)n1 ZINC000843147541 640306132 /nfs/dbraw/zinc/30/61/32/640306132.db2.gz AZALPISALZFJKQ-LBPRGKRZSA-N 0 1 292.295 2.213 20 5 CEBDMN C[C@@H](CSc1ccccc1)N(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000844684086 640805642 /nfs/dbraw/zinc/80/56/42/640805642.db2.gz BURABTSFRLCWOD-CYZMBNFOSA-N 0 1 294.376 2.291 20 5 CEBDMN COc1ccc(OC(=O)c2ccc([N+](=O)[O-])[nH]2)cc1 ZINC000916853270 640826631 /nfs/dbraw/zinc/82/66/31/640826631.db2.gz ZVGAYRXRAHPKMM-UHFFFAOYSA-N 0 1 262.221 2.151 20 5 CEBDMN CO[C@@H]1CCC[C@H](OC(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000920123847 641118693 /nfs/dbraw/zinc/11/86/93/641118693.db2.gz JFPFSCHBKICQTC-BDAKNGLRSA-N 0 1 268.269 2.037 20 5 CEBDMN CC(C)(CCC(=O)OCc1cc(C2CC2)[nH]n1)[N+](=O)[O-] ZINC000848010858 641866488 /nfs/dbraw/zinc/86/64/88/641866488.db2.gz YSPUMOUFZSTMMW-UHFFFAOYSA-N 0 1 281.312 2.166 20 5 CEBDMN CC1(CN[C@H]2CCc3c2cccc3[N+](=O)[O-])OCCCO1 ZINC000848547544 642047158 /nfs/dbraw/zinc/04/71/58/642047158.db2.gz QSBZRQBOZPHUSU-ZDUSSCGKSA-N 0 1 292.335 2.325 20 5 CEBDMN CC1(C)CCC[C@@](O)(COC(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000851355729 642993864 /nfs/dbraw/zinc/99/38/64/642993864.db2.gz ZCWWYAICRPLIQN-AWEZNQCLSA-N 0 1 296.323 2.411 20 5 CEBDMN O=C1CC[C@@H](CN(Cc2cccc([N+](=O)[O-])c2)C2CC2)O1 ZINC000851816584 643178719 /nfs/dbraw/zinc/17/87/19/643178719.db2.gz KOUQVJSCCQNUDT-AWEZNQCLSA-N 0 1 290.319 2.265 20 5 CEBDMN C[C@@H]1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000852586947 643484143 /nfs/dbraw/zinc/48/41/43/643484143.db2.gz PICBKNHHOSNJGW-TYNCELHUSA-N 0 1 294.351 2.128 20 5 CEBDMN C[C@@H](Cc1ccccc1Cl)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839534561 644737936 /nfs/dbraw/zinc/73/79/36/644737936.db2.gz GLMDBMBUTGXODK-MKPLZMMCSA-N 0 1 282.727 2.052 20 5 CEBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(C2CCCCC2)CC1 ZINC000839542730 644742900 /nfs/dbraw/zinc/74/29/00/644742900.db2.gz ODMBBVZPIHWENE-ZIAGYGMSSA-N 0 1 280.368 2.471 20 5 CEBDMN C[C@H]1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])[C@H]1c1cccc(F)c1 ZINC000839697391 644776896 /nfs/dbraw/zinc/77/68/96/644776896.db2.gz YFCCGCFRMQCWMI-KQURDKLPSA-N 0 1 292.310 2.400 20 5 CEBDMN C[C@H]1[C@@H](c2ccccc2)CCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839699190 644777151 /nfs/dbraw/zinc/77/71/51/644777151.db2.gz JYAWRGOBDMVRQL-SCUASFONSA-N 0 1 274.320 2.056 20 5 CEBDMN CC(C)C[C@@H]1CCCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839700257 644777946 /nfs/dbraw/zinc/77/79/46/644777946.db2.gz FNKXBKIDYKNCFQ-QJPTWQEYSA-N 0 1 254.330 2.079 20 5 CEBDMN C[C@@H]1[C@@H](CO)CCCN1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000839669139 644778171 /nfs/dbraw/zinc/77/81/71/644778171.db2.gz MKCPGMSUNRDBPE-GHMZBOCLSA-N 0 1 282.315 2.327 20 5 CEBDMN Cc1ccccc1[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])C1CC1 ZINC000839680092 644783457 /nfs/dbraw/zinc/78/34/57/644783457.db2.gz OCNZOKMQVDVSGJ-MCIONIFRSA-N 0 1 274.320 2.228 20 5 CEBDMN O=C(N[C@@H]1CCC[C@H](c2ccccc2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000839735942 644786669 /nfs/dbraw/zinc/78/66/69/644786669.db2.gz CMVSLZQZTQAHGY-GBJTYRQASA-N 0 1 288.347 2.494 20 5 CEBDMN CC(C)Oc1cccc(CN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC000839712624 644789392 /nfs/dbraw/zinc/78/93/92/644789392.db2.gz KFSHMPBOJLVQJR-ZIAGYGMSSA-N 0 1 292.335 2.097 20 5 CEBDMN Cc1cc2cc[nH]c2cc1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839730923 644795638 /nfs/dbraw/zinc/79/56/38/644795638.db2.gz KKEVRJGMPYWRSE-BXKDBHETSA-N 0 1 259.265 2.080 20 5 CEBDMN Cc1ccc([C@H]2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)c(C)c1 ZINC000839748321 644804447 /nfs/dbraw/zinc/80/44/47/644804447.db2.gz JDVQRHNJUKYSCF-NWANDNLSSA-N 0 1 288.347 2.285 20 5 CEBDMN O=[N+]([O-])c1cccc([C@@H](O)CN2CC[C@H](C(F)F)C2)c1 ZINC000761112972 645243795 /nfs/dbraw/zinc/24/37/95/645243795.db2.gz LUDHVVRRPVPBCJ-JQWIXIFHSA-N 0 1 286.278 2.215 20 5 CEBDMN C[C@H](C(=O)OCCN1CCC1)c1ccc([N+](=O)[O-])cc1F ZINC000861389519 646169430 /nfs/dbraw/zinc/16/94/30/646169430.db2.gz OTGILYXYIICVBO-JTQLQIEISA-N 0 1 296.298 2.086 20 5 CEBDMN COCCc1ccc(OC(=O)[C@@H]2CC2[N+](=O)[O-])c(Cl)c1 ZINC000861442994 646187751 /nfs/dbraw/zinc/18/77/51/646187751.db2.gz FSACVTRRIUPCFM-MWLCHTKSSA-N 0 1 299.710 2.100 20 5 CEBDMN O=C(OCC1Cc2ccccc2C1)c1ccc([N+](=O)[O-])[nH]1 ZINC000774362579 646839011 /nfs/dbraw/zinc/83/90/11/646839011.db2.gz LULISPUQISLWIC-UHFFFAOYSA-N 0 1 286.287 2.495 20 5 CEBDMN CC[C@H]1CN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)CCS1 ZINC000776589245 647075860 /nfs/dbraw/zinc/07/58/60/647075860.db2.gz QMHGOIPTSIGZJJ-KBPBESRZSA-N 0 1 296.392 2.456 20 5 CEBDMN Cc1ccc([C@H](O)CNCc2ccc([N+](=O)[O-])cc2F)o1 ZINC000778092893 647199287 /nfs/dbraw/zinc/19/92/87/647199287.db2.gz GSFBBEBPWQSQHI-CYBMUJFWSA-N 0 1 294.282 2.459 20 5 CEBDMN CCC1(CNC(=O)[C@@](C)(N)c2cccc([N+](=O)[O-])c2)CC1 ZINC000867955331 648000546 /nfs/dbraw/zinc/00/05/46/648000546.db2.gz YBLKJBMKIWRUPO-AWEZNQCLSA-N 0 1 291.351 2.075 20 5 CEBDMN Cc1ccc([N+](=O)[O-])c(C)c1CNCc1ccnn1C ZINC000873013254 649530811 /nfs/dbraw/zinc/53/08/11/649530811.db2.gz YIGJATQRTZXNTH-UHFFFAOYSA-N 0 1 274.324 2.235 20 5 CEBDMN COC(=O)c1ccc([N+](=O)[O-])c(CN2CC[C@@H](CF)C2)c1 ZINC000880300225 651419806 /nfs/dbraw/zinc/41/98/06/651419806.db2.gz PQUVUKCQLQVLMD-JTQLQIEISA-N 0 1 296.298 2.173 20 5 CEBDMN O=C(OCC[C@@H]1CCCC1(F)F)[C@@H]1CC1[N+](=O)[O-] ZINC000884550898 652910781 /nfs/dbraw/zinc/91/07/81/652910781.db2.gz OPZDQXPOQQUUNY-DJLDLDEBSA-N 0 1 263.240 2.020 20 5 CEBDMN C[C@]1(Cc2cccs2)CCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000885250540 652994325 /nfs/dbraw/zinc/99/43/25/652994325.db2.gz KIKWLXZBWAMULZ-YRGRVCCFSA-N 0 1 294.376 2.337 20 5 CEBDMN CC(C)ONC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC001117770279 814947160 /nfs/dbraw/zinc/94/71/60/814947160.db2.gz QLKAHXRCHYYXKK-MRVPVSSYSA-N 0 1 270.260 2.294 20 5 CEBDMN C[C@H]1COC[C@@H]1NCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000699789816 807846673 /nfs/dbraw/zinc/84/66/73/807846673.db2.gz QWEXXLJWERSWEE-KWQFWETISA-N 0 1 270.716 2.373 20 5 CEBDMN COC1(OC)CC[C@H]1N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000711423216 810070315 /nfs/dbraw/zinc/07/03/15/810070315.db2.gz CYPKHMHGNCAYAX-ZWNOBZJWSA-N 0 1 280.324 2.397 20 5 CEBDMN CC[C@@H](C(=O)OCc1cccnc1[N+](=O)[O-])N(CC)CC ZINC001119341128 810425440 /nfs/dbraw/zinc/42/54/40/810425440.db2.gz JQNGSTDXJMNPIZ-LBPRGKRZSA-N 0 1 295.339 2.153 20 5 CEBDMN CCCCCC(=O)NCCNCc1csc([N+](=O)[O-])c1 ZINC001123575801 815533712 /nfs/dbraw/zinc/53/37/12/815533712.db2.gz ZSXVZMLJIJJYJK-UHFFFAOYSA-N 0 1 299.396 2.442 20 5 CEBDMN Cc1ccc(C[N@H+]([C@@H](C)C(=O)[O-])C2CC2)cc1[N+](=O)[O-] ZINC000714022568 814881996 /nfs/dbraw/zinc/88/19/96/814881996.db2.gz UCGMOXIVPSJTOB-JTQLQIEISA-N 0 1 278.308 2.341 20 5 CEBDMN CC/C=C(/C)C(=O)NCCNCc1csc([N+](=O)[O-])c1 ZINC001124343937 815611800 /nfs/dbraw/zinc/61/18/00/815611800.db2.gz GNABNZLTTQEJTL-WMZJFQQLSA-N 0 1 297.380 2.218 20 5 CEBDMN C[C@H](Cc1ccc([N+](=O)[O-])cc1)NCc1ncco1 ZINC001173213085 815636601 /nfs/dbraw/zinc/63/66/01/815636601.db2.gz DPNQKUGNXHIMGR-SNVBAGLBSA-N 0 1 261.281 2.304 20 5 CEBDMN COc1cc([N+](=O)[O-])ccc1-n1[nH]c(C2CCC2)cc1=O ZINC000601935973 346932361 /nfs/dbraw/zinc/93/23/61/346932361.db2.gz NBKSXVHNZZIVHV-UHFFFAOYSA-N 0 1 289.291 2.496 20 5 CEBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)CC(C)C ZINC000065962747 343704823 /nfs/dbraw/zinc/70/48/23/343704823.db2.gz CGXVYZWQQVIGRR-UHFFFAOYSA-N 0 1 295.339 2.130 20 5 CEBDMN Cc1[nH]ncc1CN(C)C(=O)c1cc([N+](=O)[O-])ccc1C ZINC000602165344 346985926 /nfs/dbraw/zinc/98/59/26/346985926.db2.gz CPPPEGGPQBPWCL-UHFFFAOYSA-N 0 1 288.307 2.207 20 5 CEBDMN CC(C)CN1CCO[C@@H](CNc2ccc([N+](=O)[O-])cc2)C1 ZINC000078379667 343950372 /nfs/dbraw/zinc/95/03/72/343950372.db2.gz RKJDYWCAAUKCFR-HNNXBMFYSA-N 0 1 293.367 2.364 20 5 CEBDMN C[C@H]1C[C@@H](N(C)Cc2cc([O-])ccc2[N+](=O)[O-])CC[N@H+]1C ZINC000093643696 344228236 /nfs/dbraw/zinc/22/82/36/344228236.db2.gz VNZAVKDJNGLIRA-AAEUAGOBSA-N 0 1 293.367 2.215 20 5 CEBDMN CC(C)(O)[C@@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000145852580 344409552 /nfs/dbraw/zinc/40/95/52/344409552.db2.gz BOWVGZMQELWCOX-ZDUSSCGKSA-N 0 1 264.325 2.330 20 5 CEBDMN NC(=O)CC[C@@H]1CCCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000170733177 344488833 /nfs/dbraw/zinc/48/88/33/344488833.db2.gz FHJIYLVQDCTDEI-LBPRGKRZSA-N 0 1 291.351 2.072 20 5 CEBDMN CC(C)OCCNCc1ccc([N+](=O)[O-])cc1F ZINC000310979318 344731964 /nfs/dbraw/zinc/73/19/64/344731964.db2.gz SUGPAZDWCHCERW-UHFFFAOYSA-N 0 1 256.277 2.249 20 5 CEBDMN CN1CCN(Cc2c(F)cccc2[N+](=O)[O-])CC1(C)C ZINC000585717028 345011319 /nfs/dbraw/zinc/01/13/19/345011319.db2.gz VSCJCQIRVHFNPQ-UHFFFAOYSA-N 0 1 281.331 2.260 20 5 CEBDMN CC(C)c1[nH]nc(C(=O)N2CCC[C@@H]3C[C@@H]32)c1[N+](=O)[O-] ZINC000586899268 345028691 /nfs/dbraw/zinc/02/86/91/345028691.db2.gz UMAGAUWNHOCVJA-BDAKNGLRSA-N 0 1 278.312 2.066 20 5 CEBDMN CC(C)c1[nH]nc(C(=O)N2CCC[C@H]3C[C@H]32)c1[N+](=O)[O-] ZINC000586899269 345028741 /nfs/dbraw/zinc/02/87/41/345028741.db2.gz UMAGAUWNHOCVJA-DTWKUNHWSA-N 0 1 278.312 2.066 20 5 CEBDMN COC(=O)c1ccc([N+](=O)[O-])c(CN2CC[C@H](C)C2)c1 ZINC000589496878 345084258 /nfs/dbraw/zinc/08/42/58/345084258.db2.gz VRRBRMYJCYOUBT-JTQLQIEISA-N 0 1 278.308 2.223 20 5 CEBDMN C[C@H](Nc1c(F)cccc1[N+](=O)[O-])c1nnc[nH]1 ZINC000336785133 365804562 /nfs/dbraw/zinc/80/45/62/365804562.db2.gz BMAMEHMEPPPBOT-LURJTMIESA-N 0 1 251.221 2.025 20 5 CEBDMN O=[N+]([O-])c1cnc(N[C@H]2CCCN3CCCC[C@@H]23)s1 ZINC000594601267 345656784 /nfs/dbraw/zinc/65/67/84/345656784.db2.gz NDBPXIXBBBUNHV-UWVGGRQHSA-N 0 1 282.369 2.480 20 5 CEBDMN O=[N+]([O-])c1cnc(N[C@@H]2CCCN3CCCC[C@@H]23)s1 ZINC000594601269 345656961 /nfs/dbraw/zinc/65/69/61/345656961.db2.gz NDBPXIXBBBUNHV-ZJUUUORDSA-N 0 1 282.369 2.480 20 5 CEBDMN O=[N+]([O-])c1ccc(CN[C@@H]2C[C@@H](O)C23CCC3)c(F)c1 ZINC000594988009 345722739 /nfs/dbraw/zinc/72/27/39/345722739.db2.gz NOSUUQOSTKUYOL-CHWSQXEVSA-N 0 1 280.299 2.127 20 5 CEBDMN COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@H]1CO[C@@H](C)C1 ZINC000595046719 345734912 /nfs/dbraw/zinc/73/49/12/345734912.db2.gz QQQJDZZGNLGFCC-GARJFASQSA-N 0 1 280.324 2.431 20 5 CEBDMN O=[N+]([O-])c1cc(F)ccc1CN1CCCC[C@@H]1CCO ZINC000595307893 345758999 /nfs/dbraw/zinc/75/89/99/345758999.db2.gz NAHFGFPKTFHGCY-CYBMUJFWSA-N 0 1 282.315 2.471 20 5 CEBDMN Cc1noc(CN[C@H]2CCC[C@@H]3C[C@@H]32)c1[N+](=O)[O-] ZINC000595537639 345806296 /nfs/dbraw/zinc/80/62/96/345806296.db2.gz DRVBVLAFQUDRDU-UTLUCORTSA-N 0 1 251.286 2.169 20 5 CEBDMN CCN(Cc1ccc(F)cc1[N+](=O)[O-])CC(C)(C)O ZINC000595319780 345761280 /nfs/dbraw/zinc/76/12/80/345761280.db2.gz DIODOSOHJSOCOD-UHFFFAOYSA-N 0 1 270.304 2.327 20 5 CEBDMN CN(Cc1ccc(F)cc1[N+](=O)[O-])C[C@@H]1CCOC1 ZINC000595343980 345765523 /nfs/dbraw/zinc/76/55/23/345765523.db2.gz QXYHLIWQRNLESX-JTQLQIEISA-N 0 1 268.288 2.202 20 5 CEBDMN Cc1noc(CN[C@@H](C(C)C)[C@@H](CO)C(C)C)c1[N+](=O)[O-] ZINC000595523136 345803354 /nfs/dbraw/zinc/80/33/54/345803354.db2.gz IKZAVLIAGOFYEN-AAEUAGOBSA-N 0 1 299.371 2.270 20 5 CEBDMN CC1(C)COC[C@H]1NCc1ccc(F)cc1[N+](=O)[O-] ZINC000595521795 345803566 /nfs/dbraw/zinc/80/35/66/345803566.db2.gz WMWGYEWGFKVVBG-GFCCVEGCSA-N 0 1 268.288 2.249 20 5 CEBDMN O=[N+]([O-])c1ccc(CN2CC[C@@H]3COC[C@H]3C2)c(F)c1 ZINC000595827006 345887452 /nfs/dbraw/zinc/88/74/52/345887452.db2.gz BVUNYYABPOEMLP-VXGBXAGGSA-N 0 1 280.299 2.202 20 5 CEBDMN COc1ccc(CN2CC[C@@H]3COC[C@H]3C2)cc1[N+](=O)[O-] ZINC000595836657 345892923 /nfs/dbraw/zinc/89/29/23/345892923.db2.gz XXACISQVEUYYMK-CHWSQXEVSA-N 0 1 292.335 2.072 20 5 CEBDMN COc1ccc(CN2C[C@@H]3COC[C@@]3(C)C2)cc1[N+](=O)[O-] ZINC000595756454 345868385 /nfs/dbraw/zinc/86/83/85/345868385.db2.gz GFULTDXRMTWBFV-IUODEOHRSA-N 0 1 292.335 2.072 20 5 CEBDMN O=[N+]([O-])c1ccc2[nH]c(CN3CC[C@@H]4C[C@@H]4C3)nc2c1 ZINC000595811127 345881524 /nfs/dbraw/zinc/88/15/24/345881524.db2.gz STYUNYVUHPZIHM-NXEZZACHSA-N 0 1 272.308 2.313 20 5 CEBDMN O=[N+]([O-])c1ccc2[nH]c(CN3CC[C@H]4C[C@H]4C3)nc2c1 ZINC000595811128 345881794 /nfs/dbraw/zinc/88/17/94/345881794.db2.gz STYUNYVUHPZIHM-UWVGGRQHSA-N 0 1 272.308 2.313 20 5 CEBDMN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@@H]2C[C@@H]2C1 ZINC000595812692 345883076 /nfs/dbraw/zinc/88/30/76/345883076.db2.gz YMMLMDJLKMJACT-IJLUTSLNSA-N 0 1 289.335 2.264 20 5 CEBDMN O=[N+]([O-])c1ccc(N[C@H]2CCN(C3CC3)C2)s1 ZINC000596091157 345938123 /nfs/dbraw/zinc/93/81/23/345938123.db2.gz WTGBPHUOHJQWBN-QMMMGPOBSA-N 0 1 253.327 2.305 20 5 CEBDMN CC[C@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)C1CC1 ZINC000598235009 346312639 /nfs/dbraw/zinc/31/26/39/346312639.db2.gz VKHYRTATIVSPRH-LBPRGKRZSA-N 0 1 264.281 2.219 20 5 CEBDMN COC(=O)[C@@H]1CCN([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000339221416 215021838 /nfs/dbraw/zinc/02/18/38/215021838.db2.gz BCEXSVPYOHINSD-ZYHUDNBSSA-N 0 1 278.308 2.151 20 5 CEBDMN O=[N+]([O-])c1c(NCCN2CCC2)ccc2cnccc21 ZINC000599060189 346454236 /nfs/dbraw/zinc/45/42/36/346454236.db2.gz USQXNZILEYUZFF-UHFFFAOYSA-N 0 1 272.308 2.261 20 5 CEBDMN Cc1c(CN2CCN(CCCF)CC2)cccc1[N+](=O)[O-] ZINC000599671316 346559637 /nfs/dbraw/zinc/55/96/37/346559637.db2.gz ROBXSPAOWIDGES-UHFFFAOYSA-N 0 1 295.358 2.380 20 5 CEBDMN CC(=O)NC[C@H]1CCCCN1Cc1ccc([N+](=O)[O-])cc1 ZINC000599702366 346572023 /nfs/dbraw/zinc/57/20/23/346572023.db2.gz MPIHYSXNMKJQEG-OAHLLOKOSA-N 0 1 291.351 2.085 20 5 CEBDMN CCC(F)(F)C(C)(C)CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000600388046 346637613 /nfs/dbraw/zinc/63/76/13/346637613.db2.gz LGVQXYBUSWSUKQ-UHFFFAOYSA-N 0 1 290.270 2.119 20 5 CEBDMN Cc1nc([C@H]2CCCN(c3ccsc3[N+](=O)[O-])C2)n[nH]1 ZINC000601129877 346763286 /nfs/dbraw/zinc/76/32/86/346763286.db2.gz NQQIVDWOEWUVCZ-VIFPVBQESA-N 0 1 293.352 2.467 20 5 CEBDMN Cc1nnc([C@H]2CCCN(c3ccsc3[N+](=O)[O-])C2)[nH]1 ZINC000601129877 346763289 /nfs/dbraw/zinc/76/32/89/346763289.db2.gz NQQIVDWOEWUVCZ-VIFPVBQESA-N 0 1 293.352 2.467 20 5 CEBDMN CC[C@]1(O)CCC[N@@H+](Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000602740965 347180751 /nfs/dbraw/zinc/18/07/51/347180751.db2.gz SOEQTBSGEUZESR-AWEZNQCLSA-N 0 1 280.324 2.037 20 5 CEBDMN COc1ccc(CN2CC[C@@H](C)C[C@H]2CO)cc1[N+](=O)[O-] ZINC000602930560 347250707 /nfs/dbraw/zinc/25/07/07/347250707.db2.gz GFLXOLUBGPZWPQ-YPMHNXCESA-N 0 1 294.351 2.196 20 5 CEBDMN COc1cc([N+](=O)[O-])ccc1CN1CC[C@@H](C)C[C@H]1CO ZINC000602932360 347251314 /nfs/dbraw/zinc/25/13/14/347251314.db2.gz VSASPUHPRPWWQK-RISCZKNCSA-N 0 1 294.351 2.196 20 5 CEBDMN CC(C)COCCN[C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000602962130 347257762 /nfs/dbraw/zinc/25/77/62/347257762.db2.gz HVBGSTOEYYODIC-HNNXBMFYSA-N 0 1 296.367 2.065 20 5 CEBDMN Cc1noc(CN2CC[C@H](O)[C@H]3CCCC[C@@H]32)c1[N+](=O)[O-] ZINC000602998011 347270474 /nfs/dbraw/zinc/27/04/74/347270474.db2.gz VTMFSBPFRGPMGP-SRVKXCTJSA-N 0 1 295.339 2.017 20 5 CEBDMN CNC(C)(C)c1cn([C@@H](C)c2ccccc2[N+](=O)[O-])nn1 ZINC000603219892 347312327 /nfs/dbraw/zinc/31/23/27/347312327.db2.gz RGRJZIQNWGUJRK-JTQLQIEISA-N 0 1 289.339 2.250 20 5 CEBDMN Cc1cc(CNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)n[nH]1 ZINC000609595122 347645677 /nfs/dbraw/zinc/64/56/77/347645677.db2.gz NJGZMWVADPPQIQ-UHFFFAOYSA-N 0 1 299.290 2.038 20 5 CEBDMN Cc1cnc(N2C[C@H]3CCCCN3C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000610283968 347669469 /nfs/dbraw/zinc/66/94/69/347669469.db2.gz FDEIEGDIHZJRFF-QWHCGFSZSA-N 0 1 290.367 2.361 20 5 CEBDMN C[C@@H](c1ccccc1[N+](=O)[O-])N1CCc2cn[nH]c2C1 ZINC000611009465 347732077 /nfs/dbraw/zinc/73/20/77/347732077.db2.gz ZREHDTHPEMBDSL-JTQLQIEISA-N 0 1 272.308 2.437 20 5 CEBDMN CC[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])C1CCCCC1 ZINC000611202846 347751114 /nfs/dbraw/zinc/75/11/14/347751114.db2.gz SBQORIHSQNLBGN-SNVBAGLBSA-N 0 1 280.328 2.407 20 5 CEBDMN O=[N+]([O-])c1ccccc1OCCN1CCOCC2(CC2)C1 ZINC000611813181 347818656 /nfs/dbraw/zinc/81/86/56/347818656.db2.gz KHDXUIGTLZDCDA-UHFFFAOYSA-N 0 1 292.335 2.086 20 5 CEBDMN COC[C@H](NCc1c(F)cccc1[N+](=O)[O-])C(C)C ZINC000612483459 347892023 /nfs/dbraw/zinc/89/20/23/347892023.db2.gz DUTGHEXOSVTNKD-LBPRGKRZSA-N 0 1 270.304 2.495 20 5 CEBDMN O=C([O-])C[C@H]1CCC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000086756864 179323943 /nfs/dbraw/zinc/32/39/43/179323943.db2.gz BUVUXNSXLHTSQV-SECBINFHSA-N 0 1 284.337 2.343 20 5 CEBDMN C[C@@H]1OCC[C@]1(C)NCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000617252623 348658228 /nfs/dbraw/zinc/65/82/28/348658228.db2.gz WPJOWUZQGSGUCV-XPTSAGLGSA-N 0 1 291.307 2.393 20 5 CEBDMN C[C@@H]1CN(Cc2cc(O)ccc2[N+](=O)[O-])C[C@@H](C2CC2)O1 ZINC000619431544 349179298 /nfs/dbraw/zinc/17/92/98/349179298.db2.gz TYSNLOCFWWAWQV-BMIGLBTASA-N 0 1 292.335 2.300 20 5 CEBDMN O=[N+]([O-])c1ccccc1CN1CC(C2CCOCC2)C1 ZINC000619726622 349230302 /nfs/dbraw/zinc/23/03/02/349230302.db2.gz SOPNFADNAJNITB-UHFFFAOYSA-N 0 1 276.336 2.453 20 5 CEBDMN COc1cc([N+](=O)[O-])ccc1CN1CCC[C@@H](CO)[C@H]1C ZINC000412095726 233338825 /nfs/dbraw/zinc/33/88/25/233338825.db2.gz TYHRPOSGXRYLRP-YPMHNXCESA-N 0 1 294.351 2.196 20 5 CEBDMN C[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1C(=O)[O-] ZINC000111255428 186378973 /nfs/dbraw/zinc/37/89/73/186378973.db2.gz OHSXOPFCMJVUSP-KCJUWKMLSA-N 0 1 298.726 2.401 20 5 CEBDMN COc1ccc([N+](=O)[O-])cc1CN(C)CC(C)(C)CO ZINC000295174935 199387988 /nfs/dbraw/zinc/38/79/88/199387988.db2.gz HEGYRDPRWMKPIE-UHFFFAOYSA-N 0 1 282.340 2.054 20 5 CEBDMN CC1CCN(CCn2cc(Cl)cc([N+](=O)[O-])c2=O)CC1 ZINC000158570831 188382475 /nfs/dbraw/zinc/38/24/75/188382475.db2.gz YLPNBEQURCCTHW-UHFFFAOYSA-N 0 1 299.758 2.142 20 5 CEBDMN CCN1CCCN(C(=O)c2cc(C)cc([N+](=O)[O-])c2)CC1 ZINC000133422183 366222688 /nfs/dbraw/zinc/22/26/88/366222688.db2.gz PHZQFURQKCVFDM-UHFFFAOYSA-N 0 1 291.351 2.071 20 5 CEBDMN CC[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])c1ccccc1 ZINC000196747609 540221365 /nfs/dbraw/zinc/22/13/65/540221365.db2.gz PZKMBBDYDMGADV-JTQLQIEISA-N 0 1 274.280 2.199 20 5 CEBDMN Cc1[nH]nc(C(=O)N(C)C2CCCCC2)c1[N+](=O)[O-] ZINC000197047429 540222797 /nfs/dbraw/zinc/22/27/97/540222797.db2.gz XLVVGEZUIXXVAG-UHFFFAOYSA-N 0 1 266.301 2.031 20 5 CEBDMN CCO[C@@H]1COC[C@H]1N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000451932817 283146345 /nfs/dbraw/zinc/14/63/45/283146345.db2.gz DUGAHBMZPNRZPE-MPKXVKKWSA-N 0 1 280.324 2.049 20 5 CEBDMN COCCC(C)(C)CNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000273671905 192256175 /nfs/dbraw/zinc/25/61/75/192256175.db2.gz XQAVCRSIJNFKTE-UHFFFAOYSA-N 0 1 296.323 2.093 20 5 CEBDMN COc1ccc([N+](=O)[O-])cc1CN1CC[C@@H](CCCO)C1 ZINC000452133996 283199578 /nfs/dbraw/zinc/19/95/78/283199578.db2.gz TWHOPLHLHPGXLE-GFCCVEGCSA-N 0 1 294.351 2.198 20 5 CEBDMN C[C@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)C(C)(F)F ZINC000452453212 283291826 /nfs/dbraw/zinc/29/18/26/283291826.db2.gz BYONGCRZJHDKAK-LURJTMIESA-N 0 1 298.249 2.245 20 5 CEBDMN CC(C)c1nc(CNc2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000294846925 199211204 /nfs/dbraw/zinc/21/12/04/199211204.db2.gz AOAAXFZUCFVNCB-UHFFFAOYSA-N 0 1 261.285 2.448 20 5 CEBDMN O=[N+]([O-])c1ccc(NCc2n[nH]c(C3CC3)n2)cc1 ZINC000294938672 199260212 /nfs/dbraw/zinc/26/02/12/199260212.db2.gz LASOTEVRZVALDJ-UHFFFAOYSA-N 0 1 259.269 2.202 20 5 CEBDMN C[C@H](Cc1ccccc1[N+](=O)[O-])NCc1nccn1C ZINC000453101030 283472874 /nfs/dbraw/zinc/47/28/74/283472874.db2.gz YCYPFHOYVWZFOF-LLVKDONJSA-N 0 1 274.324 2.049 20 5 CEBDMN CCOC(=O)CN(Cc1cc(O)ccc1[N+](=O)[O-])C(C)C ZINC000338949851 366585357 /nfs/dbraw/zinc/58/53/57/366585357.db2.gz CLNQPLTYCBPZIZ-UHFFFAOYSA-N 0 1 296.323 2.074 20 5 CEBDMN C[N@@H+](Cc1cc([O-])ccc1[N+](=O)[O-])[C@@H]1CCCC[C@@H]1O ZINC000339100011 366653814 /nfs/dbraw/zinc/65/38/14/366653814.db2.gz SZDKDROVSDYLPU-KGLIPLIRSA-N 0 1 280.324 2.036 20 5 CEBDMN Cc1nnc([C@@H](C)NCc2cc(O)ccc2[N+](=O)[O-])s1 ZINC000339088027 366648426 /nfs/dbraw/zinc/64/84/26/366648426.db2.gz KEPXIHROKSRKRT-SSDOTTSWSA-N 0 1 294.336 2.311 20 5 CEBDMN CCCc1[nH]nc(C(=O)N2CC[C@H](C)[C@H]2C)c1[N+](=O)[O-] ZINC000177083357 189027625 /nfs/dbraw/zinc/02/76/25/189027625.db2.gz CPTKXKFDDNLHJJ-DTWKUNHWSA-N 0 1 280.328 2.141 20 5 CEBDMN Cc1c(NC(=O)N2CCCN(C)CC2)cccc1[N+](=O)[O-] ZINC000180604787 189265051 /nfs/dbraw/zinc/26/50/51/189265051.db2.gz UHJGTOMCRXQJBY-UHFFFAOYSA-N 0 1 292.339 2.073 20 5 CEBDMN COc1cc(CN2C[C@@H](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000339571494 366707116 /nfs/dbraw/zinc/70/71/16/366707116.db2.gz KHOXMVSEXOUDAQ-ZJUUUORDSA-N 0 1 250.298 2.444 20 5 CEBDMN CC(C)n1ncnc1CNCCc1ccc([N+](=O)[O-])cc1 ZINC000088590066 363909852 /nfs/dbraw/zinc/90/98/52/363909852.db2.gz ZCGNPZHGOMYDRD-UHFFFAOYSA-N 0 1 289.339 2.100 20 5 CEBDMN O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H]1Cc2ccccc2CN1 ZINC000237907355 370759002 /nfs/dbraw/zinc/75/90/02/370759002.db2.gz YHVHJDSEAVCTKR-HNNXBMFYSA-N 0 1 297.314 2.248 20 5 CEBDMN CCCc1[nH]nc(C(=O)N(C)C[C@@H](C)CC)c1[N+](=O)[O-] ZINC000111628947 364746790 /nfs/dbraw/zinc/74/67/90/364746790.db2.gz KGWUMKWWNPORLJ-VIFPVBQESA-N 0 1 282.344 2.389 20 5 CEBDMN Cc1ccc(CN2CC[C@H](O)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000275852813 193147182 /nfs/dbraw/zinc/14/71/82/193147182.db2.gz IEERMGCXFBLJTL-AWEZNQCLSA-N 0 1 278.352 2.496 20 5 CEBDMN COC(CN(Cc1ccc([N+](=O)[O-])cc1)C(C)C)OC ZINC000160681678 367027279 /nfs/dbraw/zinc/02/72/79/367027279.db2.gz YTANHIMRAFMEGK-UHFFFAOYSA-N 0 1 282.340 2.424 20 5 CEBDMN CC[N@@H+]1CCCC[C@@H]1C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000166089115 367317433 /nfs/dbraw/zinc/31/74/33/367317433.db2.gz JVTDLSPJIVMLDL-LLVKDONJSA-N 0 1 293.323 2.113 20 5 CEBDMN CC[N@H+]1CCCC[C@@H]1C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000166089115 367317443 /nfs/dbraw/zinc/31/74/43/367317443.db2.gz JVTDLSPJIVMLDL-LLVKDONJSA-N 0 1 293.323 2.113 20 5 CEBDMN C[C@H]1CN(Cc2ccccc2[N+](=O)[O-])CCCO1 ZINC000170774483 367412533 /nfs/dbraw/zinc/41/25/33/367412533.db2.gz YLYJOPJEKMJBNU-NSHDSACASA-N 0 1 250.298 2.206 20 5 CEBDMN Cc1nc2ccc(Cn3nccc3[N+](=O)[O-])cc2[nH]1 ZINC000342662553 367473911 /nfs/dbraw/zinc/47/39/11/367473911.db2.gz MCCXGWRJIBBRCH-UHFFFAOYSA-N 0 1 257.253 2.024 20 5 CEBDMN CCc1[nH]nc(C(=O)N2CCC[C@H](CC)C2)c1[N+](=O)[O-] ZINC000171371196 367530034 /nfs/dbraw/zinc/53/00/34/367530034.db2.gz VSWVUSWPNGQQPE-VIFPVBQESA-N 0 1 280.328 2.143 20 5 CEBDMN Cc1[nH]ncc1CNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000342767449 367523593 /nfs/dbraw/zinc/52/35/93/367523593.db2.gz CJLQBPIWQRXOBY-UHFFFAOYSA-N 0 1 299.290 2.038 20 5 CEBDMN Cc1[nH]nc(C(=O)N(C)Cc2ccccc2F)c1[N+](=O)[O-] ZINC000342858346 367574532 /nfs/dbraw/zinc/57/45/32/367574532.db2.gz DCZKJPTZTKLORO-UHFFFAOYSA-N 0 1 292.270 2.038 20 5 CEBDMN CCc1[nH]nc(C(=O)N(C)CC2CCCC2)c1[N+](=O)[O-] ZINC000171806142 367619124 /nfs/dbraw/zinc/61/91/24/367619124.db2.gz TWBAFSFGXBXZCV-UHFFFAOYSA-N 0 1 280.328 2.143 20 5 CEBDMN COc1ccc(CN(C)CCOCC2CC2)cc1[N+](=O)[O-] ZINC000172774273 367816527 /nfs/dbraw/zinc/81/65/27/367816527.db2.gz SOJPNQFDNLPYIP-UHFFFAOYSA-N 0 1 294.351 2.462 20 5 CEBDMN Cc1ccoc1CNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000343593824 367905004 /nfs/dbraw/zinc/90/50/04/367905004.db2.gz PZEVUNIJFATWBC-UHFFFAOYSA-N 0 1 276.248 2.132 20 5 CEBDMN C[C@H](c1ccco1)N(C)CCn1cc([N+](=O)[O-])cn1 ZINC000174835469 368071405 /nfs/dbraw/zinc/07/14/05/368071405.db2.gz XPQSXHBGZVWNQC-SNVBAGLBSA-N 0 1 264.285 2.077 20 5 CEBDMN O=[N+]([O-])c1ccn(CCN2CCC[C@H](C(F)(F)F)C2)n1 ZINC000176193200 368210057 /nfs/dbraw/zinc/21/00/57/368210057.db2.gz CLHQKLCCVFEELM-VIFPVBQESA-N 0 1 292.261 2.066 20 5 CEBDMN CCN1C[C@@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000345942960 368490344 /nfs/dbraw/zinc/49/03/44/368490344.db2.gz FIFZHDXYCKLGEO-VXGBXAGGSA-N 0 1 291.351 2.150 20 5 CEBDMN O=C(Nc1nc(C2CCC2)n[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000184566285 368703510 /nfs/dbraw/zinc/70/35/10/368703510.db2.gz MTJZZIWMXYNLIA-UHFFFAOYSA-N 0 1 287.279 2.233 20 5 CEBDMN O=C(Nc1n[nH]c(C2CCC2)n1)c1cccc([N+](=O)[O-])c1 ZINC000184566285 368703515 /nfs/dbraw/zinc/70/35/15/368703515.db2.gz MTJZZIWMXYNLIA-UHFFFAOYSA-N 0 1 287.279 2.233 20 5 CEBDMN C/C=C/C[C@@H](CO)NCc1csc([N+](=O)[O-])c1 ZINC000185813747 368866341 /nfs/dbraw/zinc/86/63/41/368866341.db2.gz TUKCFGGSGWPXAH-PBKGFPTLSA-N 0 1 256.327 2.073 20 5 CEBDMN C/C=C/C[C@H](CO)NCc1ccc([N+](=O)[O-])cc1F ZINC000349791212 369402016 /nfs/dbraw/zinc/40/20/16/369402016.db2.gz OSRVRCGUFBFGGN-KXMPLOMGSA-N 0 1 268.288 2.151 20 5 CEBDMN C[C@H]1CCC[C@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC000188931732 369431875 /nfs/dbraw/zinc/43/18/75/369431875.db2.gz HYTGUPPQUOUXEZ-IUCAKERBSA-N 0 1 266.301 2.017 20 5 CEBDMN Cc1c([C@@H](C)N[C@@H](C)C(=O)N(C)C)cccc1[N+](=O)[O-] ZINC000189011455 369442886 /nfs/dbraw/zinc/44/28/86/369442886.db2.gz ZKWJRVNYAUJBML-MNOVXSKESA-N 0 1 279.340 2.031 20 5 CEBDMN Cc1cc([N+](=O)[O-])ccc1CN1CCSC[C@@H]1CCO ZINC000349962180 369467158 /nfs/dbraw/zinc/46/71/58/369467158.db2.gz HNIFJVIQUIWMTO-AWEZNQCLSA-N 0 1 296.392 2.203 20 5 CEBDMN Cc1ccc(CN2CC[C@@H](O)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000190054364 369592459 /nfs/dbraw/zinc/59/24/59/369592459.db2.gz LEXFWUZYCVEIRW-BXUZGUMPSA-N 0 1 264.325 2.106 20 5 CEBDMN COC(=O)[C@H]1CCN(Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000191821340 369746035 /nfs/dbraw/zinc/74/60/35/369746035.db2.gz RWODQTORMUVACP-FZMZJTMJSA-N 0 1 292.335 2.226 20 5 CEBDMN COc1ccc(CN2CC[C@H](CO)C[C@H]2C)cc1[N+](=O)[O-] ZINC000344126603 217063403 /nfs/dbraw/zinc/06/34/03/217063403.db2.gz IZUJSCHQBBRMRX-YPMHNXCESA-N 0 1 294.351 2.196 20 5 CEBDMN COc1cc(CSc2cn[nH]n2)c([N+](=O)[O-])cc1F ZINC000361579808 371946002 /nfs/dbraw/zinc/94/60/02/371946002.db2.gz XYJXJRXXQYJDNS-UHFFFAOYSA-N 0 1 284.272 2.153 20 5 CEBDMN Cc1[nH]nc(C(=O)N2[C@H](C)C[C@H]3CCCC[C@H]32)c1[N+](=O)[O-] ZINC000265579745 372023813 /nfs/dbraw/zinc/02/38/13/372023813.db2.gz IFEJKHNBYDVOLS-FBIMIBRVSA-N 0 1 292.339 2.420 20 5 CEBDMN CCCCN(C)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000269161994 372362394 /nfs/dbraw/zinc/36/23/94/372362394.db2.gz YJPSKWOQHRMCMU-UHFFFAOYSA-N 0 1 252.270 2.173 20 5 CEBDMN C[C@H](O)C[C@@H]1CCCN1Cc1ccc([N+](=O)[O-])cc1F ZINC000269868995 372582992 /nfs/dbraw/zinc/58/29/92/372582992.db2.gz YDSHJYKIQMTJKE-JQWIXIFHSA-N 0 1 282.315 2.469 20 5 CEBDMN Cc1ccccc1[C@]1(F)CCN(C(=O)[C@H]2CC2[N+](=O)[O-])C1 ZINC000370005462 373553090 /nfs/dbraw/zinc/55/30/90/373553090.db2.gz GOMLSDKXBWYLEQ-LNSITVRQSA-N 0 1 292.310 2.057 20 5 CEBDMN O=C([C@H]1CC1[N+](=O)[O-])N1CC=C(c2cccc(F)c2)CC1 ZINC000370252101 373617287 /nfs/dbraw/zinc/61/72/87/373617287.db2.gz YYMLOZQSQDSCIM-KBPBESRZSA-N 0 1 290.294 2.107 20 5 CEBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCCC[C@H]1Cc1ccccc1 ZINC000372949752 374227334 /nfs/dbraw/zinc/22/73/34/374227334.db2.gz PJEYMGCZGCLDQA-ZNMIVQPWSA-N 0 1 288.347 2.275 20 5 CEBDMN CO[C@@H]1CN([C@H](C)c2cccc([N+](=O)[O-])c2)C[C@@H]1OC ZINC000276939810 374352820 /nfs/dbraw/zinc/35/28/20/374352820.db2.gz UPYKYWOUPHRKNS-HONMWMINSA-N 0 1 280.324 2.001 20 5 CEBDMN O=C(N[C@@H]1CC[C@H](c2cccc(F)c2)C1)[C@H]1CC1[N+](=O)[O-] ZINC000373707431 374408810 /nfs/dbraw/zinc/40/88/10/374408810.db2.gz RQSQOGCMTOPSIZ-AHLTXXRQSA-N 0 1 292.310 2.243 20 5 CEBDMN Cc1cc([N+](=O)[O-])cc(Cl)c1N(C)Cc1nnc[nH]1 ZINC000277925337 374684730 /nfs/dbraw/zinc/68/47/30/374684730.db2.gz ZXAZWIMOAPHDMN-UHFFFAOYSA-N 0 1 281.703 2.311 20 5 CEBDMN NC(=O)c1ccc(CN2CCC3(CC3)CC2)c([N+](=O)[O-])c1 ZINC000376797872 374738144 /nfs/dbraw/zinc/73/81/44/374738144.db2.gz BHUYJCALFPPKFB-UHFFFAOYSA-N 0 1 289.335 2.070 20 5 CEBDMN O=C(NCc1cccc(-c2ccccn2)c1)[C@@H]1CC1[N+](=O)[O-] ZINC000378249858 375053822 /nfs/dbraw/zinc/05/38/22/375053822.db2.gz HCJMYBIGYNWPIN-UKRRQHHQSA-N 0 1 297.314 2.030 20 5 CEBDMN CC[C@@H]1[C@@H](CO)CCN1Cc1ccc([N+](=O)[O-])cc1F ZINC000385762223 375242173 /nfs/dbraw/zinc/24/21/73/375242173.db2.gz XVKSEZWEVGSOQY-BXUZGUMPSA-N 0 1 282.315 2.327 20 5 CEBDMN CC[C@@H]1[C@H](CO)CCN1Cc1ccc([N+](=O)[O-])cc1F ZINC000385762226 375243587 /nfs/dbraw/zinc/24/35/87/375243587.db2.gz XVKSEZWEVGSOQY-SMDDNHRTSA-N 0 1 282.315 2.327 20 5 CEBDMN C[C@@H](O)[C@@H]1CCCCN1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000283254608 375681455 /nfs/dbraw/zinc/68/14/55/375681455.db2.gz VQCLZXRIKLTHCK-MFKMUULPSA-N 0 1 282.315 2.469 20 5 CEBDMN CCN1CCN(c2cccc(F)c2[N+](=O)[O-])[C@@H](C)C1 ZINC000286219123 375876713 /nfs/dbraw/zinc/87/67/13/375876713.db2.gz CXDXOJDHFBBPEH-JTQLQIEISA-N 0 1 267.304 2.264 20 5 CEBDMN CCN1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000286556790 375993230 /nfs/dbraw/zinc/99/32/30/375993230.db2.gz STSFLARZPCYAMR-NSHDSACASA-N 0 1 292.339 2.153 20 5 CEBDMN O=[N+]([O-])c1cnc(Nc2cc3n(n2)CCCC3)s1 ZINC000286617366 376015365 /nfs/dbraw/zinc/01/53/65/376015365.db2.gz UKGSZJIBWRPCQN-UHFFFAOYSA-N 0 1 265.298 2.328 20 5 CEBDMN CC[C@@H](CNCc1cc(OC)c(OC)cc1[N+](=O)[O-])OC ZINC000289969945 376581524 /nfs/dbraw/zinc/58/15/24/376581524.db2.gz YXRSBBQWBQZSSJ-NSHDSACASA-N 0 1 298.339 2.127 20 5 CEBDMN O=[N+]([O-])c1ccccc1CN1CC[C@H](n2cccn2)C1 ZINC000291217723 377125917 /nfs/dbraw/zinc/12/59/17/377125917.db2.gz JBXVDJNCXHUIBE-ZDUSSCGKSA-N 0 1 272.308 2.238 20 5 CEBDMN C[C@@H]1N(Cc2cc(O)ccc2[N+](=O)[O-])CCOC1(C)C ZINC000330457995 377141862 /nfs/dbraw/zinc/14/18/62/377141862.db2.gz RDZIURSGXKTYNZ-JTQLQIEISA-N 0 1 280.324 2.300 20 5 CEBDMN CCCC[C@@H](C)N(C)C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000291356606 377188162 /nfs/dbraw/zinc/18/81/62/377188162.db2.gz VAGKHLQLNUUZKK-MRVPVSSYSA-N 0 1 268.317 2.277 20 5 CEBDMN Cc1[nH]nc(C(=O)N(C)C2(C)CCCC2)c1[N+](=O)[O-] ZINC000428653777 377498547 /nfs/dbraw/zinc/49/85/47/377498547.db2.gz ADGADKHKVLJKQL-UHFFFAOYSA-N 0 1 266.301 2.031 20 5 CEBDMN CCOCC(C)(C)NCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000293275654 377500906 /nfs/dbraw/zinc/50/09/06/377500906.db2.gz NSPJJNHQFMEVKX-UHFFFAOYSA-N 0 1 297.311 2.408 20 5 CEBDMN Cc1ccccc1C(C)(C)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000294031392 377878280 /nfs/dbraw/zinc/87/82/80/377878280.db2.gz WPODGABFYDKZLX-UHFFFAOYSA-N 0 1 288.307 2.291 20 5 CEBDMN CC(C)=CCC[C@@H](C)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000295531897 378199293 /nfs/dbraw/zinc/19/92/93/378199293.db2.gz FNFLITKVCGZBHO-SECBINFHSA-N 0 1 266.301 2.183 20 5 CEBDMN Cc1cc(NCCN2C[C@H]3CC[C@@H](C2)O3)ccc1[N+](=O)[O-] ZINC000450798942 378584647 /nfs/dbraw/zinc/58/46/47/378584647.db2.gz ZUWAKTLIVRTDPZ-OKILXGFUSA-N 0 1 291.351 2.178 20 5 CEBDMN Cc1nc(NC[C@H](C)[N@H+]2CCC[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000296541892 378568243 /nfs/dbraw/zinc/56/82/43/378568243.db2.gz NYISJZJAXLRNER-MNOVXSKESA-N 0 1 293.371 2.226 20 5 CEBDMN CCC[C@H](O)CN(C)Cc1ccccc1[N+](=O)[O-] ZINC000296651662 378606885 /nfs/dbraw/zinc/60/68/85/378606885.db2.gz XNFPCCQQSGMHJT-LBPRGKRZSA-N 0 1 252.314 2.188 20 5 CEBDMN Cc1cccc(C(=O)N(C)[C@H]2CCCN(C)C2)c1[N+](=O)[O-] ZINC000266188484 190238508 /nfs/dbraw/zinc/23/85/08/190238508.db2.gz USOJXJOWMUZDPG-LBPRGKRZSA-N 0 1 291.351 2.069 20 5 CEBDMN C[C@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)[C@H]1C(=O)[O-] ZINC000300425036 379173149 /nfs/dbraw/zinc/17/31/49/379173149.db2.gz PJBSTHPKBGDIDV-GXFFZTMASA-N 0 1 278.308 2.280 20 5 CEBDMN Cc1nc([C@H]2CCCN(c3ccccc3[N+](=O)[O-])C2)n[nH]1 ZINC000301629870 379291581 /nfs/dbraw/zinc/29/15/81/379291581.db2.gz CCXNIVIQBDWSNK-NSHDSACASA-N 0 1 287.323 2.405 20 5 CEBDMN Cc1nnc([C@H]2CCCN(c3ccccc3[N+](=O)[O-])C2)[nH]1 ZINC000301629870 379291589 /nfs/dbraw/zinc/29/15/89/379291589.db2.gz CCXNIVIQBDWSNK-NSHDSACASA-N 0 1 287.323 2.405 20 5 CEBDMN COc1ccc(CN2CCCC[C@@H]2[C@H](C)O)cc1[N+](=O)[O-] ZINC000303976671 379500983 /nfs/dbraw/zinc/50/09/83/379500983.db2.gz CIPKAQMDJMJNDF-WCQYABFASA-N 0 1 294.351 2.339 20 5 CEBDMN O=[N+]([O-])c1ccc(CN2CC[C@@](O)(C3CC3)C2)c(F)c1 ZINC000489277878 380171168 /nfs/dbraw/zinc/17/11/68/380171168.db2.gz MRESPRHTZGBACK-AWEZNQCLSA-N 0 1 280.299 2.081 20 5 CEBDMN CC(C)OCC[C@H](O)CN(C)Cc1ccccc1[N+](=O)[O-] ZINC000349240009 218829959 /nfs/dbraw/zinc/82/99/59/218829959.db2.gz GVKBHCNDQMDNFQ-AWEZNQCLSA-N 0 1 296.367 2.203 20 5 CEBDMN O=[N+]([O-])c1cnc(N2CC[C@@H](N3CCCCC3)C2)s1 ZINC000281933172 285176249 /nfs/dbraw/zinc/17/62/49/285176249.db2.gz OXUAEBKRQGSKIQ-SNVBAGLBSA-N 0 1 282.369 2.116 20 5 CEBDMN O=[N+]([O-])c1cnc2c(c1)CN([C@@H]1C=CCCC1)CC2 ZINC000347786484 285184772 /nfs/dbraw/zinc/18/47/72/285184772.db2.gz BBKPOXFPTGQWTF-GFCCVEGCSA-N 0 1 259.309 2.457 20 5 CEBDMN COC[C@H](N[C@@H](C)c1ccccc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000278889350 285408162 /nfs/dbraw/zinc/40/81/62/285408162.db2.gz XEBAIUZJTWAINV-WHOFXGATSA-N 0 1 294.351 2.439 20 5 CEBDMN CCOc1ccc([N+](=O)[O-])cc1CNC[C@@H](C)OC ZINC000191142999 130189096 /nfs/dbraw/zinc/18/90/96/130189096.db2.gz TZPNHGXNYLAOMX-SNVBAGLBSA-N 0 1 268.313 2.118 20 5 CEBDMN C[C@@H]1C[C@@H]1CN1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000356530074 394580018 /nfs/dbraw/zinc/58/00/18/394580018.db2.gz QTNWNWJJVZPFPY-GHMZBOCLSA-N 0 1 262.309 2.445 20 5 CEBDMN Cc1nc([C@@H]2CCN(c3ccc([N+](=O)[O-])c(C)c3)C2)n[nH]1 ZINC000413550630 394580763 /nfs/dbraw/zinc/58/07/63/394580763.db2.gz KSHZBCSNUFSJCD-LLVKDONJSA-N 0 1 287.323 2.324 20 5 CEBDMN Cc1nnc([C@@H]2CCN(c3ccc([N+](=O)[O-])c(C)c3)C2)[nH]1 ZINC000413550630 394580765 /nfs/dbraw/zinc/58/07/65/394580765.db2.gz KSHZBCSNUFSJCD-LLVKDONJSA-N 0 1 287.323 2.324 20 5 CEBDMN CCc1nc([C@@H](C)Nc2ncc([N+](=O)[O-])cc2Cl)n[nH]1 ZINC000270748305 394739229 /nfs/dbraw/zinc/73/92/29/394739229.db2.gz XKLJFUCBHMDOGP-ZCFIWIBFSA-N 0 1 296.718 2.497 20 5 CEBDMN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCN[C@@H](C)C1 ZINC000415292656 394919431 /nfs/dbraw/zinc/91/94/31/394919431.db2.gz HQEITWJYZJQMAR-JTQLQIEISA-N 0 1 292.339 2.037 20 5 CEBDMN CCCC[C@@H](CCC)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000132395123 394929719 /nfs/dbraw/zinc/92/97/19/394929719.db2.gz FGBJUSDQHTWXST-SECBINFHSA-N 0 1 268.317 2.407 20 5 CEBDMN Cc1cc(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)n[nH]1 ZINC000132832743 394938658 /nfs/dbraw/zinc/93/86/58/394938658.db2.gz RROPHWOOSNBYNH-UHFFFAOYSA-N 0 1 274.280 2.116 20 5 CEBDMN CC[C@H]1CCCC[C@H]1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000135838016 394967805 /nfs/dbraw/zinc/96/78/05/394967805.db2.gz OQNGXQGCCYGVNT-DTWKUNHWSA-N 0 1 266.301 2.017 20 5 CEBDMN CC[C@@](C)(O)CN1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000161516032 395064420 /nfs/dbraw/zinc/06/44/20/395064420.db2.gz NFRINTYVMJUBPS-CQSZACIVSA-N 0 1 264.325 2.114 20 5 CEBDMN Cc1cc(N2CCc3cnccc32)ncc1[N+](=O)[O-] ZINC000176773440 395142477 /nfs/dbraw/zinc/14/24/77/395142477.db2.gz NGYFSDMVSGMOFR-UHFFFAOYSA-N 0 1 256.265 2.387 20 5 CEBDMN C[C@H]1CCN(Cc2c([N+](=O)[O-])ncn2C)C[C@H](C)C1 ZINC000408437192 395299968 /nfs/dbraw/zinc/29/99/68/395299968.db2.gz QKDBTCMUTJYQGZ-WDEREUQCSA-N 0 1 266.345 2.196 20 5 CEBDMN CO[C@H](CN1CCc2c(cccc2[N+](=O)[O-])C1)C1CC1 ZINC000566139689 395502295 /nfs/dbraw/zinc/50/22/95/395502295.db2.gz FXKRDIFNYSLNJJ-OAHLLOKOSA-N 0 1 276.336 2.378 20 5 CEBDMN CCc1[nH]nc(C(=O)N(CC)[C@@H](C)C(C)C)c1[N+](=O)[O-] ZINC000574649420 395634268 /nfs/dbraw/zinc/63/42/68/395634268.db2.gz WSVJMSBGMVKFAN-VIFPVBQESA-N 0 1 282.344 2.387 20 5 CEBDMN Cc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc2[nH]nnc2c1 ZINC000194807437 153267039 /nfs/dbraw/zinc/26/70/39/153267039.db2.gz ZCWGZZPJORLOIE-UHFFFAOYSA-N 0 1 297.274 2.427 20 5 CEBDMN Cc1cccc([N+](=O)[O-])c1NCCN1CCSCC1 ZINC000226230863 153330444 /nfs/dbraw/zinc/33/04/44/153330444.db2.gz HQKIWUAMFCCJOM-UHFFFAOYSA-N 0 1 281.381 2.364 20 5 CEBDMN O=C(NCc1ccc(-c2cccnc2)cc1)[C@H]1CC1[N+](=O)[O-] ZINC000363571891 156027594 /nfs/dbraw/zinc/02/75/94/156027594.db2.gz WKXFFGVPJYSYES-LSDHHAIUSA-N 0 1 297.314 2.030 20 5 CEBDMN CCc1ccc([C@@H]2CCCN2C(=O)[C@H]2CC2[N+](=O)[O-])o1 ZINC000368657571 156386736 /nfs/dbraw/zinc/38/67/36/156386736.db2.gz HEBPAIYDYFBFIF-SDDRHHMPSA-N 0 1 278.308 2.171 20 5 CEBDMN O=[N+]([O-])c1ccccc1/C=C/CN1C[C@@H](O)C2(CC2)C1 ZINC000375285509 157072738 /nfs/dbraw/zinc/07/27/38/157072738.db2.gz CZGPROTXHPPWFS-LYKUJDHUSA-N 0 1 274.320 2.065 20 5 CEBDMN C[S@](=O)CCCNCc1ccc([N+](=O)[O-])cc1Cl ZINC000168129644 162363021 /nfs/dbraw/zinc/36/30/21/162363021.db2.gz CMNAXAKTNBTZHG-GOSISDBHSA-N 0 1 290.772 2.106 20 5 CEBDMN COc1ccc(C[N@H+]2CCCC[C@@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC000035297355 172110807 /nfs/dbraw/zinc/11/08/07/172110807.db2.gz MERDNJAHHVEULI-LLVKDONJSA-N 0 1 294.307 2.043 20 5 CEBDMN Cc1c(C[N@H+]2CCC[C@H](C(=O)[O-])C2)cccc1[N+](=O)[O-] ZINC000035649614 172325796 /nfs/dbraw/zinc/32/57/96/172325796.db2.gz SKWGPVKQAAUCJA-LBPRGKRZSA-N 0 1 278.308 2.200 20 5 CEBDMN C[C@@H](N[C@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1cn[nH]c1 ZINC000285302614 196246059 /nfs/dbraw/zinc/24/60/59/196246059.db2.gz SDMNIPPFACUOEG-RKDXNWHRSA-N 0 1 275.312 2.312 20 5 CEBDMN CN(CCc1ccccc1[N+](=O)[O-])Cc1cnn(C)c1 ZINC000285369993 196262690 /nfs/dbraw/zinc/26/26/90/196262690.db2.gz QVFFKQYWTKTPHC-UHFFFAOYSA-N 0 1 274.324 2.003 20 5 CEBDMN C[C@H](NCc1ccnn1C)c1ccc([N+](=O)[O-])cc1 ZINC000071333286 176126081 /nfs/dbraw/zinc/12/60/81/176126081.db2.gz RJDNDCBJSFXPJA-JTQLQIEISA-N 0 1 260.297 2.179 20 5 CEBDMN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)C1CC=CC1 ZINC000077614095 177287056 /nfs/dbraw/zinc/28/70/56/177287056.db2.gz VSQWHCIXNSHTGP-UHFFFAOYSA-N 0 1 299.290 2.285 20 5 CEBDMN CCc1[nH]nc(C(=O)N2C[C@H](C)CC[C@@H]2C)c1[N+](=O)[O-] ZINC000192664409 262207756 /nfs/dbraw/zinc/20/77/56/262207756.db2.gz HIOUHRNRRDNZBA-BDAKNGLRSA-N 0 1 280.328 2.141 20 5 CEBDMN C[C@@H]1CC[C@H](C(=O)[O-])C[N@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000397092594 270351206 /nfs/dbraw/zinc/35/12/06/270351206.db2.gz XANMHVYZJZJYOU-SCZZXKLOSA-N 0 1 284.337 2.341 20 5 CEBDMN C[C@@H]1CC[C@@H](CNCc2ccc([N+](=O)[O-])cc2F)O1 ZINC000398064222 270355721 /nfs/dbraw/zinc/35/57/21/270355721.db2.gz HENHMKTWPFCGSA-SKDRFNHKSA-N 0 1 268.288 2.391 20 5 CEBDMN O=C(NCc1cccs1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000427906896 271239779 /nfs/dbraw/zinc/23/97/79/271239779.db2.gz UHLLBGPSTSHJGQ-UHFFFAOYSA-N 0 1 278.289 2.292 20 5 CEBDMN C[C@@H]1[C@H](C)N(Cc2c(F)cc([N+](=O)[O-])cc2F)CCN1C ZINC000351730206 279104036 /nfs/dbraw/zinc/10/40/36/279104036.db2.gz MONOYKLWMXQGOK-ZJUUUORDSA-N 0 1 299.321 2.397 20 5 CEBDMN O=C(NCc1ccc(C(F)F)cc1)c1n[nH]cc1[N+](=O)[O-] ZINC000185403339 280124101 /nfs/dbraw/zinc/12/41/01/280124101.db2.gz MMQITECXZCCLQV-UHFFFAOYSA-N 0 1 296.233 2.186 20 5 CEBDMN O=[N+]([O-])c1cccc(CN2CCS[C@@H]3COCC[C@@H]32)c1 ZINC000135519488 280372447 /nfs/dbraw/zinc/37/24/47/280372447.db2.gz NTYSCEUJNDDFMZ-UONOGXRCSA-N 0 1 294.376 2.301 20 5 CEBDMN CSCCN1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153239801 289108870 /nfs/dbraw/zinc/10/88/70/289108870.db2.gz QTBYLDJRLLRYIR-UHFFFAOYSA-N 0 1 252.339 2.316 20 5 CEBDMN Cc1cc(C(=O)Nc2ccc3[nH]nnc3c2)cc([N+](=O)[O-])c1 ZINC000153374215 289111873 /nfs/dbraw/zinc/11/18/73/289111873.db2.gz HUQLQGIJWFEDMR-UHFFFAOYSA-N 0 1 297.274 2.427 20 5 CEBDMN CNC(=O)CCCN(C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000154573957 289149774 /nfs/dbraw/zinc/14/97/74/289149774.db2.gz DELWDFZFEGTSBK-UHFFFAOYSA-N 0 1 299.758 2.206 20 5 CEBDMN C[C@H](NCCOc1cccc([N+](=O)[O-])c1)c1ccn(C)n1 ZINC000459779291 290237496 /nfs/dbraw/zinc/23/74/96/290237496.db2.gz FNWFCHFFTIILAZ-NSHDSACASA-N 0 1 290.323 2.058 20 5 CEBDMN C[C@@H]1CN(C)CCN1c1ccc2ncccc2c1[N+](=O)[O-] ZINC000535008683 298179556 /nfs/dbraw/zinc/17/95/56/298179556.db2.gz AYSKABCSBJWESC-LLVKDONJSA-N 0 1 286.335 2.283 20 5 CEBDMN Cc1c(C[N@@H+](CC(=O)[O-])C2CCC2)cccc1[N+](=O)[O-] ZINC000519611200 313117951 /nfs/dbraw/zinc/11/79/51/313117951.db2.gz LATGDAVVWOUBBD-UHFFFAOYSA-N 0 1 278.308 2.342 20 5 CEBDMN C[C@H]1C[C@H]1c1noc(-c2cc(O)cc([N+](=O)[O-])c2)n1 ZINC000571735158 314103843 /nfs/dbraw/zinc/10/38/43/314103843.db2.gz NMSRFBJCZJCHCO-QUBYGPBYSA-N 0 1 261.237 2.474 20 5 CEBDMN C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@H](C)N1 ZINC000153451808 533877570 /nfs/dbraw/zinc/87/75/70/533877570.db2.gz SYDLLADKLMMXBQ-IUCAKERBSA-N 0 1 297.742 2.071 20 5 CEBDMN Cc1ccc(CN2C[C@H](C)C[C@H](O)C2)cc1[N+](=O)[O-] ZINC000414526786 533964171 /nfs/dbraw/zinc/96/41/71/533964171.db2.gz POFWUYFMIAUKIZ-MFKMUULPSA-N 0 1 264.325 2.106 20 5 CEBDMN CCCN(C)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000049480561 521482825 /nfs/dbraw/zinc/48/28/25/521482825.db2.gz MACTVWNRKGZRFZ-UHFFFAOYSA-N 0 1 265.313 2.184 20 5 CEBDMN COC[C@H](NCc1nc2cc([N+](=O)[O-])ccc2o1)C1CC1 ZINC000183437202 522757497 /nfs/dbraw/zinc/75/74/97/522757497.db2.gz AGOGRCSCWWQOEG-LBPRGKRZSA-N 0 1 291.307 2.251 20 5 CEBDMN Cc1ccccc1C1=CCN(C(=O)[C@H]2CC2[N+](=O)[O-])CC1 ZINC000374634006 525083913 /nfs/dbraw/zinc/08/39/13/525083913.db2.gz XWXKQXVWJVUZDP-GJZGRUSLSA-N 0 1 286.331 2.276 20 5 CEBDMN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCCOCC1 ZINC000363377520 526084476 /nfs/dbraw/zinc/08/44/76/526084476.db2.gz DBXHCUPEGAMAKP-LLVKDONJSA-N 0 1 250.298 2.378 20 5 CEBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@H]1/C=C/c1cccs1 ZINC000364941726 526500482 /nfs/dbraw/zinc/50/04/82/526500482.db2.gz LLSQJMZTHQPNJP-IRIVYCKASA-N 0 1 292.360 2.418 20 5 CEBDMN C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@H]1CCN(C(=O)[O-])C1 ZINC000739716888 574932062 /nfs/dbraw/zinc/93/20/62/574932062.db2.gz WFARYBDNIKMNOF-LLVKDONJSA-N 0 1 293.323 2.027 20 5 CEBDMN C[C@@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C[C@H]1C(=O)[O-] ZINC000828456001 601536676 /nfs/dbraw/zinc/53/66/76/601536676.db2.gz HZSCZXBJDFWIIC-LDYMZIIASA-N 0 1 298.726 2.401 20 5 CEBDMN CC[N@@H+]1C[C@H](Nc2cc(C(=O)[O-])ccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000833658547 605191867 /nfs/dbraw/zinc/19/18/67/605191867.db2.gz SVWBESJVBOETNP-CABZTGNLSA-N 0 1 293.323 2.045 20 5 CEBDMN Cc1nc([C@H](C)Nc2c([N+](=O)[O-])cccc2[N+](=O)[O-])n[nH]1 ZINC000804839133 623045992 /nfs/dbraw/zinc/04/59/92/623045992.db2.gz XWBBCWKAVKRVSK-LURJTMIESA-N 0 1 292.255 2.103 20 5 CEBDMN COC(=O)[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000933173369 623525740 /nfs/dbraw/zinc/52/57/40/623525740.db2.gz BGHQSSYRPCFBPR-DGCLKSJQSA-N 0 1 292.335 2.368 20 5 CEBDMN C[C@H]1CCN(Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000725780486 624780447 /nfs/dbraw/zinc/78/04/47/624780447.db2.gz ZAYRCPGPGCXZKP-NSHDSACASA-N 0 1 287.323 2.153 20 5 CEBDMN O=[N+]([O-])c1ccc(F)cc1CN1CCC[C@H]1CCO ZINC000311659217 627686730 /nfs/dbraw/zinc/68/67/30/627686730.db2.gz JQFUICXGTKASLJ-LBPRGKRZSA-N 0 1 268.288 2.081 20 5 CEBDMN O=C(OC[C@@H]1CC12CCC2)c1ccc([N+](=O)[O-])[nH]1 ZINC000893466326 628637296 /nfs/dbraw/zinc/63/72/96/628637296.db2.gz CXCSAZUSGGAHRW-QMMMGPOBSA-N 0 1 250.254 2.270 20 5 CEBDMN Cc1ccccc1C(C)(C)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840464179 634676417 /nfs/dbraw/zinc/67/64/17/634676417.db2.gz LZNFNZBXCMVMGK-ZYHUDNBSSA-N 0 1 262.309 2.012 20 5 CEBDMN CCN1CCN(c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000893825636 629011941 /nfs/dbraw/zinc/01/19/41/629011941.db2.gz FKTCKEMXAJBHDX-SNVBAGLBSA-N 0 1 294.311 2.033 20 5 CEBDMN Cc1nc(COC(=O)c2cc(Cl)ccc2[N+](=O)[O-])n[nH]1 ZINC000795252320 629497861 /nfs/dbraw/zinc/49/78/61/629497861.db2.gz PAIGUJNHOKMBHX-UHFFFAOYSA-N 0 1 296.670 2.032 20 5 CEBDMN CC(C)c1n[nH]c(COC(=O)c2csc([N+](=O)[O-])c2)n1 ZINC000795335755 629519505 /nfs/dbraw/zinc/51/95/05/629519505.db2.gz HRDOADIWBMYQMM-UHFFFAOYSA-N 0 1 296.308 2.255 20 5 CEBDMN CC(C)c1nc(COC(=O)c2csc([N+](=O)[O-])c2)n[nH]1 ZINC000795335755 629519527 /nfs/dbraw/zinc/51/95/27/629519527.db2.gz HRDOADIWBMYQMM-UHFFFAOYSA-N 0 1 296.308 2.255 20 5 CEBDMN COC(=O)/C(C)=C/CN(C)CCc1ccccc1[N+](=O)[O-] ZINC000796112911 629774874 /nfs/dbraw/zinc/77/48/74/629774874.db2.gz JYOAYBNDSWRTRM-XYOKQWHBSA-N 0 1 292.335 2.188 20 5 CEBDMN C[N@H+]1CCN(c2cccnc2[N+](=O)[O-])C[C@@H]1C(C)(C)C ZINC000895102542 629900267 /nfs/dbraw/zinc/90/02/67/629900267.db2.gz XJRUAQZLSKJMGX-GFCCVEGCSA-N 0 1 278.356 2.156 20 5 CEBDMN CN1CCN(c2cccnc2[N+](=O)[O-])C[C@@H]1C(C)(C)C ZINC000895102542 629900268 /nfs/dbraw/zinc/90/02/68/629900268.db2.gz XJRUAQZLSKJMGX-GFCCVEGCSA-N 0 1 278.356 2.156 20 5 CEBDMN COC(=O)[C@H]1C[C@H](NCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000895471758 630215174 /nfs/dbraw/zinc/21/51/74/630215174.db2.gz ZPAHSBJIKIMXTJ-HOMQSWHASA-N 0 1 298.726 2.289 20 5 CEBDMN O=C(O[C@H]1CCc2cccnc21)c1ccc([N+](=O)[O-])[nH]1 ZINC000802223359 631404959 /nfs/dbraw/zinc/40/49/59/631404959.db2.gz RCOGRWIAOYWSNB-JTQLQIEISA-N 0 1 273.248 2.162 20 5 CEBDMN CC(C)[C@H](C(=O)OCc1ccc([N+](=O)[O-])c(F)c1)N(C)C ZINC000803495718 631573977 /nfs/dbraw/zinc/57/39/77/631573977.db2.gz SEGAMAAAOSORDQ-CYBMUJFWSA-N 0 1 298.314 2.363 20 5 CEBDMN CC(C)c1ccc(CN[C@]2(C)CCNC2=O)cc1[N+](=O)[O-] ZINC000897874157 631955016 /nfs/dbraw/zinc/95/50/16/631955016.db2.gz TVSXIHALUGNHLU-OAHLLOKOSA-N 0 1 291.351 2.086 20 5 CEBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC=C(Cl)C1 ZINC000898196698 632110366 /nfs/dbraw/zinc/11/03/66/632110366.db2.gz ZSZVGQXRTMQJHI-UHFFFAOYSA-N 0 1 282.683 2.269 20 5 CEBDMN Cc1nn(CN2CC[C@@H](C3CCC3)C2)c(C)c1[N+](=O)[O-] ZINC000840188916 632157257 /nfs/dbraw/zinc/15/72/57/632157257.db2.gz NPJWLJODJTUCGI-CYBMUJFWSA-N 0 1 278.356 2.488 20 5 CEBDMN CC1(C)[C@H](c2ccccc2)CCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000817506638 633684911 /nfs/dbraw/zinc/68/49/11/633684911.db2.gz MMWIIUJQROMEHN-HZSPNIEDSA-N 0 1 288.347 2.446 20 5 CEBDMN CC(C)Nc1cc(F)ccc1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000840359164 633917919 /nfs/dbraw/zinc/91/79/19/633917919.db2.gz GODZSUUKAFDEPD-BXKDBHETSA-N 0 1 281.287 2.250 20 5 CEBDMN O=C(N[C@@H](C1CCCCC1)C(F)(F)F)[C@@H]1CC1[N+](=O)[O-] ZINC000840389465 634220789 /nfs/dbraw/zinc/22/07/89/634220789.db2.gz PIWVMGBSRFTNQI-BBBLOLIVSA-N 0 1 294.273 2.279 20 5 CEBDMN CC(C)(c1ccccc1)C1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000840472380 634948938 /nfs/dbraw/zinc/94/89/38/634948938.db2.gz FXMDXUDZZATPBG-CHWSQXEVSA-N 0 1 288.347 2.278 20 5 CEBDMN O=C([O-])c1ccc([N+](=O)[O-])c(C[N@H+]2CCC[C@@H](CF)C2)c1 ZINC000903608662 635176148 /nfs/dbraw/zinc/17/61/48/635176148.db2.gz ZKSUKBFHFZYOOC-JTQLQIEISA-N 0 1 296.298 2.475 20 5 CEBDMN O=[N+]([O-])CCN[C@@H]1C[C@H]1c1ccccc1C(F)(F)F ZINC000905083304 635798770 /nfs/dbraw/zinc/79/87/70/635798770.db2.gz VRIARIDGPGABBV-GXSJLCMTSA-N 0 1 274.242 2.428 20 5 CEBDMN Cc1ccc(-c2nc(CCNCC[N+](=O)[O-])co2)cc1 ZINC000905090799 635802553 /nfs/dbraw/zinc/80/25/53/635802553.db2.gz UGPRVRIHUBVXKZ-UHFFFAOYSA-N 0 1 275.308 2.059 20 5 CEBDMN COC(=O)[C@H]1C[C@@H](NCc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000827501155 636338785 /nfs/dbraw/zinc/33/87/85/636338785.db2.gz SAEYNSUOXXYUMR-DKTWLAJQSA-N 0 1 298.726 2.289 20 5 CEBDMN O=C(Oc1cccc(C(F)F)c1)[C@@H]1CC1[N+](=O)[O-] ZINC000906256905 636665467 /nfs/dbraw/zinc/66/54/67/636665467.db2.gz CNMIEMFLEVOABV-RKDXNWHRSA-N 0 1 257.192 2.195 20 5 CEBDMN O=[N+]([O-])c1ccc(Cl)c(CN[C@@H]2CCC[C@H]2O)c1 ZINC000323697207 636956338 /nfs/dbraw/zinc/95/63/38/636956338.db2.gz QJOHRHOGYUUXNM-VXGBXAGGSA-N 0 1 270.716 2.251 20 5 CEBDMN COC[C@@H](C)CC(=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837577825 639291365 /nfs/dbraw/zinc/29/13/65/639291365.db2.gz RNFHLCHFPORLKF-VIFPVBQESA-N 0 1 283.280 2.016 20 5 CEBDMN Cc1csc(CNC2CC(n3cc([N+](=O)[O-])cn3)C2)n1 ZINC000876919665 650486835 /nfs/dbraw/zinc/48/68/35/650486835.db2.gz XBPOLXDLXPQQSC-UHFFFAOYSA-N 0 1 293.352 2.050 20 5 CEBDMN O=C(OCc1cc(O)ccc1[N+](=O)[O-])C1(CCF)CC1 ZINC000837737014 639366304 /nfs/dbraw/zinc/36/63/04/639366304.db2.gz RCIASBGFVGXEAZ-UHFFFAOYSA-N 0 1 283.255 2.483 20 5 CEBDMN CC(C)Oc1ccc(COC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC000840671672 639521304 /nfs/dbraw/zinc/52/13/04/639521304.db2.gz YXDHMQMPLHVKLA-CHWSQXEVSA-N 0 1 279.292 2.182 20 5 CEBDMN Cc1ccc2ncc(COC(=O)[C@@H]3CC3[N+](=O)[O-])cc2c1 ZINC000840674620 639521319 /nfs/dbraw/zinc/52/13/19/639521319.db2.gz NNHOKPRICPPVNF-TZMCWYRMSA-N 0 1 286.287 2.252 20 5 CEBDMN CC(C)COc1cccc(COC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC000841231352 639713571 /nfs/dbraw/zinc/71/35/71/639713571.db2.gz ZWLMZKQMSALBQG-ZIAGYGMSSA-N 0 1 293.319 2.430 20 5 CEBDMN C[C@@H]1CCC[C@H](C)CN1Cn1nccc1[N+](=O)[O-] ZINC000172919240 639828176 /nfs/dbraw/zinc/82/81/76/639828176.db2.gz DVAHYBMWVJSWMX-WDEREUQCSA-N 0 1 252.318 2.259 20 5 CEBDMN CCCCO[C@H]1C[C@@H](OC(=O)[C@@H]2CC2[N+](=O)[O-])C1(C)C ZINC000842318432 640012527 /nfs/dbraw/zinc/01/25/27/640012527.db2.gz LNXBOYRDEYSOSM-WISYIIOYSA-N 0 1 285.340 2.179 20 5 CEBDMN O=C1C[C@@H](NCc2cc([N+](=O)[O-])ccc2Cl)CCCN1 ZINC000877087723 650565939 /nfs/dbraw/zinc/56/59/39/650565939.db2.gz QMDXIHXFROYIJK-JTQLQIEISA-N 0 1 297.742 2.007 20 5 CEBDMN Cc1c(NC(=O)CN(C)C2CCC2)cccc1[N+](=O)[O-] ZINC000072721806 642321603 /nfs/dbraw/zinc/32/16/03/642321603.db2.gz DNIPNVFQGJCUQR-UHFFFAOYSA-N 0 1 277.324 2.326 20 5 CEBDMN CO[C@H](C(=O)OCc1cc(O)ccc1[N+](=O)[O-])C1CCC1 ZINC000850177907 642607075 /nfs/dbraw/zinc/60/70/75/642607075.db2.gz OCNAQNIVVFBYHX-ZDUSSCGKSA-N 0 1 295.291 2.159 20 5 CEBDMN CC(C)n1cc([C@H](C)OC(=O)c2ccc([N+](=O)[O-])[nH]2)nn1 ZINC000851240763 642957764 /nfs/dbraw/zinc/95/77/64/642957764.db2.gz JAGGVXHHZXYFSX-QMMMGPOBSA-N 0 1 293.283 2.013 20 5 CEBDMN C[C@H](c1c(F)cccc1F)N(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839509529 644245126 /nfs/dbraw/zinc/24/51/26/644245126.db2.gz RJKPBXOMYIZFGP-SOCHQFKDSA-N 0 1 284.262 2.149 20 5 CEBDMN O=C(Nc1ccc2c(c1)[C@H](O)CCCC2)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000855546752 644385669 /nfs/dbraw/zinc/38/56/69/644385669.db2.gz RWGCSPXPJHLFHN-MGPQQGTHSA-N 0 1 290.319 2.050 20 5 CEBDMN CC1=CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000756631541 644676470 /nfs/dbraw/zinc/67/64/70/644676470.db2.gz DQONEQNXZSNGRJ-AWEZNQCLSA-N 0 1 262.309 2.280 20 5 CEBDMN C=C/C=C\CCN1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000877917984 650947036 /nfs/dbraw/zinc/94/70/36/650947036.db2.gz LHOVZFOLPXWZMH-ARJAWSKDSA-N 0 1 288.351 2.244 20 5 CEBDMN Cc1ccc2c(c1)[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])[C@H](C)C2 ZINC000839721372 644792889 /nfs/dbraw/zinc/79/28/89/644792889.db2.gz LGLNKOAMFXMQJV-JXJLXUTGSA-N 0 1 274.320 2.010 20 5 CEBDMN C[C@H]1CCCc2ccccc2[C@H]1NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839726755 644793398 /nfs/dbraw/zinc/79/33/98/644793398.db2.gz WQCKUEXNJAPIIG-QOWREQOWSA-N 0 1 288.347 2.482 20 5 CEBDMN CCc1cc(CNc2ccc([N+](=O)[O-])c(C)n2)n[nH]1 ZINC000760463843 645159953 /nfs/dbraw/zinc/15/99/53/645159953.db2.gz UBCJWOHHPZAUJS-UHFFFAOYSA-N 0 1 261.285 2.196 20 5 CEBDMN C[C@@H](NC[C@@H]1CC2(CC2)C(=O)O1)c1ccccc1[N+](=O)[O-] ZINC000763756383 645574862 /nfs/dbraw/zinc/57/48/62/645574862.db2.gz ADYVEDMBIZPDEA-MNOVXSKESA-N 0 1 290.319 2.341 20 5 CEBDMN C[C@H](OC(=O)c1ccc([N+](=O)[O-])[nH]1)c1ccco1 ZINC000764796659 645690636 /nfs/dbraw/zinc/69/06/36/645690636.db2.gz POAQAUUEBUUVOE-ZETCQYMHSA-N 0 1 250.210 2.434 20 5 CEBDMN C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@@H](C)CN1C ZINC000768525731 646135605 /nfs/dbraw/zinc/13/56/05/646135605.db2.gz KWKCIVKOZZQOAF-ZJUUUORDSA-N 0 1 294.311 2.032 20 5 CEBDMN Cc1nc(COC(=O)c2ccc(Cl)cc2[N+](=O)[O-])n[nH]1 ZINC000770644712 646421540 /nfs/dbraw/zinc/42/15/40/646421540.db2.gz XOWASOMHNGDWQW-UHFFFAOYSA-N 0 1 296.670 2.032 20 5 CEBDMN CCOC(=O)C1=CC[C@@H](NCc2csc([N+](=O)[O-])c2)C1 ZINC000862486581 646477191 /nfs/dbraw/zinc/47/71/91/646477191.db2.gz FJBYQQXYUPYOCQ-LLVKDONJSA-N 0 1 296.348 2.398 20 5 CEBDMN CCc1nc(CN2CCc3cc(C)c([N+](=O)[O-])cc32)n[nH]1 ZINC000771764728 646549164 /nfs/dbraw/zinc/54/91/64/646549164.db2.gz IWYGXTHBBNIYBO-UHFFFAOYSA-N 0 1 287.323 2.146 20 5 CEBDMN O=C(NC1(c2c(F)cccc2F)CCC1)[C@@H]1CC1[N+](=O)[O-] ZINC000863836086 646830766 /nfs/dbraw/zinc/83/07/66/646830766.db2.gz BWJZIUNYAOPZKC-LDYMZIIASA-N 0 1 296.273 2.125 20 5 CEBDMN CC[C@@H]1C[C@H](C)CN1Cn1cc([N+](=O)[O-])c(C)n1 ZINC000779863396 647366857 /nfs/dbraw/zinc/36/68/57/647366857.db2.gz OQJKOONOFXUGGX-GXSJLCMTSA-N 0 1 252.318 2.178 20 5 CEBDMN COc1cc(F)c([N+](=O)[O-])c(N2CC(N3CCCC3)C2)c1 ZINC000865937437 647543996 /nfs/dbraw/zinc/54/39/96/647543996.db2.gz QHFMPMPAXITJSA-UHFFFAOYSA-N 0 1 295.314 2.027 20 5 CEBDMN C[C@](N)(C(=O)NCCC1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000867944307 647997364 /nfs/dbraw/zinc/99/73/64/647997364.db2.gz COSIFVRFYYUDKF-OAHLLOKOSA-N 0 1 291.351 2.075 20 5 CEBDMN CC(C)[C@H](C(=O)OCc1ccccc1[N+](=O)[O-])N(C)C ZINC000787963008 648153465 /nfs/dbraw/zinc/15/34/65/648153465.db2.gz TUQJSZKHUJEKBB-CYBMUJFWSA-N 0 1 280.324 2.224 20 5 CEBDMN C[C@H](Cc1ccc(Cl)cc1)N(C)CC[N+](=O)[O-] ZINC000791051336 648475922 /nfs/dbraw/zinc/47/59/22/648475922.db2.gz AZFYIFKRYMKRNR-SNVBAGLBSA-N 0 1 256.733 2.480 20 5 CEBDMN Cc1ccc2[nH]c([C@H]3CCCN(CC[N+](=O)[O-])C3)nc2c1 ZINC000791054662 648477327 /nfs/dbraw/zinc/47/73/27/648477327.db2.gz NJJQYTWURCABBI-LBPRGKRZSA-N 0 1 288.351 2.327 20 5 CEBDMN Cc1ccc2nc([C@H]3CCCN(CC[N+](=O)[O-])C3)[nH]c2c1 ZINC000791054662 648477328 /nfs/dbraw/zinc/47/73/28/648477328.db2.gz NJJQYTWURCABBI-LBPRGKRZSA-N 0 1 288.351 2.327 20 5 CEBDMN Cc1noc(CCN[C@H](C)c2c(F)cccc2[N+](=O)[O-])n1 ZINC000872046015 649253652 /nfs/dbraw/zinc/25/36/52/649253652.db2.gz CVCLFUANFOFKTR-MRVPVSSYSA-N 0 1 294.286 2.319 20 5 CEBDMN Cc1ccc([N+](=O)[O-])c(C)c1CNC[C@@H](O)C(F)(F)F ZINC000873020673 649533740 /nfs/dbraw/zinc/53/37/40/649533740.db2.gz ZVNVGURUTAGAEM-LLVKDONJSA-N 0 1 292.257 2.224 20 5 CEBDMN CCc1nc(CNCc2c(C)ccc([N+](=O)[O-])c2C)n[nH]1 ZINC000873128283 649564500 /nfs/dbraw/zinc/56/45/00/649564500.db2.gz JOKFNSSSQRSAPZ-UHFFFAOYSA-N 0 1 289.339 2.182 20 5 CEBDMN CCCc1[nH]nc(C(=O)N2CCC[C@H](CF)C2)c1[N+](=O)[O-] ZINC000881595690 651812571 /nfs/dbraw/zinc/81/25/71/651812571.db2.gz NDBZWKHMOPMWGS-SECBINFHSA-N 0 1 298.318 2.092 20 5 CEBDMN Cc1cc(Cl)c([N+](=O)[O-])c(N2C[C@@H](C)N(C)C[C@H]2C)n1 ZINC001164632256 719184312 /nfs/dbraw/zinc/18/43/12/719184312.db2.gz DRNXAZZYDHGPGT-NXEZZACHSA-N 0 1 298.774 2.480 20 5 CEBDMN O=[N+]([O-])c1ccc(Cl)cc1CN1C[C@@H]2[C@H](O)CC[C@@H]2C1 ZINC000712273665 810418156 /nfs/dbraw/zinc/41/81/56/810418156.db2.gz CCYSSDQQSYDDLL-LJWDBELGSA-N 0 1 296.754 2.451 20 5 CEBDMN CCCCC(=O)NCCNCc1csc([N+](=O)[O-])c1 ZINC001123666804 815544874 /nfs/dbraw/zinc/54/48/74/815544874.db2.gz ULSLLJARBFESGN-UHFFFAOYSA-N 0 1 285.369 2.052 20 5 CEBDMN CCc1n[nH]c(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])n1 ZINC000123118107 816597305 /nfs/dbraw/zinc/59/73/05/816597305.db2.gz ZVZHAQPCVGATLL-UHFFFAOYSA-N 0 1 295.686 2.181 20 5 CEBDMN CCc1nc(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])n[nH]1 ZINC000123118107 816597310 /nfs/dbraw/zinc/59/73/10/816597310.db2.gz ZVZHAQPCVGATLL-UHFFFAOYSA-N 0 1 295.686 2.181 20 5 CEBDMN CC(C)(C)CNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000269270534 190482263 /nfs/dbraw/zinc/48/22/63/190482263.db2.gz GHNHRPNWWZGSPM-UHFFFAOYSA-N 0 1 252.270 2.076 20 5 CEBDMN C[C@H]1CC[C@H](C)N1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000408162628 290629792 /nfs/dbraw/zinc/62/97/92/290629792.db2.gz YEEGILZWAKMBCD-IUCAKERBSA-N 0 1 264.281 2.313 20 5 CEBDMN CCC(CC)(NCc1cc(O)ccc1[N+](=O)[O-])C(=O)OC ZINC000339085981 282141950 /nfs/dbraw/zinc/14/19/50/282141950.db2.gz SZRXBZPXMMVGDI-UHFFFAOYSA-N 0 1 296.323 2.122 20 5 CEBDMN CC1(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CCC1 ZINC000126040344 187212647 /nfs/dbraw/zinc/21/26/47/187212647.db2.gz VYRSMBUSUGSSOH-UHFFFAOYSA-N 0 1 274.280 2.144 20 5 CEBDMN Cc1ncc([N+](=O)[O-])n1CCn1c(C)nc2c1CCCC2 ZINC000601914128 346924894 /nfs/dbraw/zinc/92/48/94/346924894.db2.gz UWMSMQPUDBKXLL-UHFFFAOYSA-N 0 1 289.339 2.184 20 5 CEBDMN Cc1cc([N+](=O)[O-])ccc1N1N=C2CCC[C@@H]2C1=O ZINC000601943726 346936048 /nfs/dbraw/zinc/93/60/48/346936048.db2.gz TZVMIBIALGMYMY-JTQLQIEISA-N 0 1 259.265 2.406 20 5 CEBDMN Cc1cc([N+](=O)[O-])ccc1-n1[nH]c2c(c1=O)CCC2 ZINC000601943726 346936050 /nfs/dbraw/zinc/93/60/50/346936050.db2.gz TZVMIBIALGMYMY-JTQLQIEISA-N 0 1 259.265 2.406 20 5 CEBDMN Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)[C@H]1CC1[N+](=O)[O-] ZINC000044686604 343476849 /nfs/dbraw/zinc/47/68/49/343476849.db2.gz HYIBWQNFLWBCGD-SRVKXCTJSA-N 0 1 292.335 2.383 20 5 CEBDMN Cc1[nH]ncc1CNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000051381678 343550570 /nfs/dbraw/zinc/55/05/70/343550570.db2.gz OXPDGTZWBZBJEE-UHFFFAOYSA-N 0 1 299.290 2.038 20 5 CEBDMN CCC(C)(C)NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000128553186 365795916 /nfs/dbraw/zinc/79/59/16/365795916.db2.gz OYTNZYCDWBWDCN-UHFFFAOYSA-N 0 1 290.316 2.201 20 5 CEBDMN CCCc1[nH]nc(C(=O)N2CCC(C)CC2)c1[N+](=O)[O-] ZINC000068229682 343757973 /nfs/dbraw/zinc/75/79/73/343757973.db2.gz CWWCJWOVFRCFPU-UHFFFAOYSA-N 0 1 280.328 2.143 20 5 CEBDMN Cc1ccc([C@@H](C)NC(=O)[C@@H](C)N(C)C)cc1[N+](=O)[O-] ZINC000602116604 346977398 /nfs/dbraw/zinc/97/73/98/346977398.db2.gz NGULVSKZLZBCLR-GHMZBOCLSA-N 0 1 279.340 2.031 20 5 CEBDMN CC1(C)C[C@@H](O)CC[N@@H+](Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000449616266 282305284 /nfs/dbraw/zinc/30/52/84/282305284.db2.gz CLUKBXXSGQPIPE-ZDUSSCGKSA-N 0 1 294.351 2.283 20 5 CEBDMN CC1CN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000338956966 214863388 /nfs/dbraw/zinc/86/33/88/214863388.db2.gz LDEANFDQCQHMQW-UHFFFAOYSA-N 0 1 286.335 2.447 20 5 CEBDMN Cn1cc(CN2CCS[C@@H]3CCCC[C@@H]32)c([N+](=O)[O-])n1 ZINC000602477034 347051460 /nfs/dbraw/zinc/05/14/60/347051460.db2.gz OVSPQQKOMYGBDV-NWDGAFQWSA-N 0 1 296.396 2.188 20 5 CEBDMN C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@](C)(C(=O)[O-])C1 ZINC000227825942 344556907 /nfs/dbraw/zinc/55/69/07/344556907.db2.gz RPOPQXKQYVEBPN-HZMBPMFUSA-N 0 1 278.308 2.452 20 5 CEBDMN O=[N+]([O-])c1ccc(-c2nc([C@H]3CCCN3)no2)cc1 ZINC000228560302 344560813 /nfs/dbraw/zinc/56/08/13/344560813.db2.gz INRNLSWKOLICQD-SNVBAGLBSA-N 0 1 260.253 2.069 20 5 CEBDMN COc1ccc([N+](=O)[O-])cc1CN1CCC[C@H](CCO)C1 ZINC000051916535 362447954 /nfs/dbraw/zinc/44/79/54/362447954.db2.gz XWWJQXIUFDYJKL-GFCCVEGCSA-N 0 1 294.351 2.198 20 5 CEBDMN CN[C@H](C)c1cn(-c2ccc(Cl)cc2[N+](=O)[O-])nn1 ZINC000311354418 344733738 /nfs/dbraw/zinc/73/37/38/344733738.db2.gz BUBQWNMDYPHFOP-SSDOTTSWSA-N 0 1 281.703 2.109 20 5 CEBDMN C[C@@H]1C[N@@H+](Cc2csc([N+](=O)[O-])c2)CC[C@@H]1C(=O)[O-] ZINC000388861582 344834245 /nfs/dbraw/zinc/83/42/45/344834245.db2.gz FYPGJUJLPRAHJL-SCZZXKLOSA-N 0 1 284.337 2.199 20 5 CEBDMN C[C@H]1CCCN(CCNc2c(Cl)cncc2[N+](=O)[O-])C1 ZINC000589106860 345065964 /nfs/dbraw/zinc/06/59/64/345065964.db2.gz MRUHLUZSTWDTAA-JTQLQIEISA-N 0 1 298.774 2.209 20 5 CEBDMN Cc1ccccc1C1(NC(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC000592825799 345400564 /nfs/dbraw/zinc/40/05/64/345400564.db2.gz FRVCJMFOOJDCAQ-UHFFFAOYSA-N 0 1 286.291 2.045 20 5 CEBDMN Cc1ccc(CN2CCC[C@@H](O)[C@H]2C)cc1[N+](=O)[O-] ZINC000295115326 199352760 /nfs/dbraw/zinc/35/27/60/199352760.db2.gz WPPLPADNLKYYJJ-BXUZGUMPSA-N 0 1 264.325 2.248 20 5 CEBDMN O=[N+]([O-])c1cnc(N[C@@H]2CCCN3CCCC[C@H]23)s1 ZINC000594601266 345656839 /nfs/dbraw/zinc/65/68/39/345656839.db2.gz NDBPXIXBBBUNHV-NXEZZACHSA-N 0 1 282.369 2.480 20 5 CEBDMN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCc1cc(C)[nH]n1 ZINC000595010689 345725901 /nfs/dbraw/zinc/72/59/01/345725901.db2.gz WNKBUOKQMDFWOX-SNVBAGLBSA-N 0 1 290.323 2.486 20 5 CEBDMN COc1cc([N+](=O)[O-])ccc1[C@@H](C)N[C@H]1CCOC1 ZINC000595036134 345732237 /nfs/dbraw/zinc/73/22/37/345732237.db2.gz PNEKHHGCBDOFIV-ZJUUUORDSA-N 0 1 266.297 2.043 20 5 CEBDMN CN(Cc1ccc(F)cc1[N+](=O)[O-])C[C@H]1CCC[C@@H]1O ZINC000595387225 345772036 /nfs/dbraw/zinc/77/20/36/345772036.db2.gz BYGIPVNAABKTJI-RISCZKNCSA-N 0 1 282.315 2.327 20 5 CEBDMN C[C@@H](O)[C@H]1CCCN(Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595390892 345773276 /nfs/dbraw/zinc/77/32/76/345773276.db2.gz ZPUXABXGNDAFKB-MNOVXSKESA-N 0 1 282.315 2.327 20 5 CEBDMN CO[C@@]1(CO)CCCN([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000595660327 345841080 /nfs/dbraw/zinc/84/10/80/345841080.db2.gz FEDBOWUIHICBEF-WFASDCNBSA-N 0 1 294.351 2.129 20 5 CEBDMN O=[N+]([O-])c1ccc(CN2CC[C@@H]3COC[C@@H]3C2)c(F)c1 ZINC000595827003 345887346 /nfs/dbraw/zinc/88/73/46/345887346.db2.gz BVUNYYABPOEMLP-NEPJUHHUSA-N 0 1 280.299 2.202 20 5 CEBDMN COc1ccc(CN2CC[C@H]3COC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000595836660 345892732 /nfs/dbraw/zinc/89/27/32/345892732.db2.gz XXACISQVEUYYMK-STQMWFEESA-N 0 1 292.335 2.072 20 5 CEBDMN O=[N+]([O-])c1cncc(Cl)c1N1CCCc2[nH]ncc2C1 ZINC000596001436 345922379 /nfs/dbraw/zinc/92/23/79/345922379.db2.gz RXABFUJLPKQGJK-UHFFFAOYSA-N 0 1 293.714 2.319 20 5 CEBDMN CN(CC1CN(C)C1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000596453707 346027834 /nfs/dbraw/zinc/02/78/34/346027834.db2.gz MBVDFOFKGMPFNO-UHFFFAOYSA-N 0 1 269.732 2.246 20 5 CEBDMN CCc1[nH]nc(C(=O)N(CC)[C@@H](C)CC)c1[N+](=O)[O-] ZINC000597855844 346238884 /nfs/dbraw/zinc/23/88/84/346238884.db2.gz LOPADOWQLLUBQB-QMMMGPOBSA-N 0 1 268.317 2.141 20 5 CEBDMN Cc1ccc(CNCCn2cc([N+](=O)[O-])cn2)c(F)c1 ZINC000601111577 346756366 /nfs/dbraw/zinc/75/63/66/346756366.db2.gz SHNHQYBYOQYBHE-UHFFFAOYSA-N 0 1 278.287 2.029 20 5 CEBDMN Cc1ccc(CN[C@@H](C)[C@@H](O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000601150883 346770585 /nfs/dbraw/zinc/77/05/85/346770585.db2.gz HEYFDFQWFIMMEQ-GZMMTYOYSA-N 0 1 292.257 2.305 20 5 CEBDMN Cc1[nH]ncc1CN(C)c1ncc([N+](=O)[O-])cc1Cl ZINC000601181489 346778861 /nfs/dbraw/zinc/77/88/61/346778861.db2.gz LGKBFTQPVPYYRV-UHFFFAOYSA-N 0 1 281.703 2.311 20 5 CEBDMN Cn1cc(CN(C2CCC2)C2CCC2)c([N+](=O)[O-])n1 ZINC000602841427 347220518 /nfs/dbraw/zinc/22/05/18/347220518.db2.gz QUAVUZUVNYQJCE-UHFFFAOYSA-N 0 1 264.329 2.235 20 5 CEBDMN CNC(C)(C)c1cn([C@H](C)c2cccc([N+](=O)[O-])c2)nn1 ZINC000603187000 347303250 /nfs/dbraw/zinc/30/32/50/347303250.db2.gz ZDMATWAXXMCLER-SNVBAGLBSA-N 0 1 289.339 2.250 20 5 CEBDMN CCN1CCCN(c2ccsc2[N+](=O)[O-])CC1 ZINC000610515268 347687974 /nfs/dbraw/zinc/68/79/74/347687974.db2.gz ROPYVBQKFATDJT-UHFFFAOYSA-N 0 1 255.343 2.188 20 5 CEBDMN COc1ccc(OCCN2C[C@@H]3CCC[C@H]32)c([N+](=O)[O-])c1 ZINC000610762785 347712943 /nfs/dbraw/zinc/71/29/43/347712943.db2.gz VIWXDRFRNXVMGB-WCQYABFASA-N 0 1 292.335 2.467 20 5 CEBDMN O=[N+]([O-])c1sccc1N1CC[C@@H](N2CC=CC2)C1 ZINC000610281824 347669501 /nfs/dbraw/zinc/66/95/01/347669501.db2.gz OFEAZNLTJCAZQQ-SNVBAGLBSA-N 0 1 265.338 2.107 20 5 CEBDMN O=C(N[C@H]1CCC(F)(F)C1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000611558440 347794563 /nfs/dbraw/zinc/79/45/63/347794563.db2.gz LKFWKKUDMNVJKP-QMMMGPOBSA-N 0 1 286.234 2.218 20 5 CEBDMN C[C@@H]1CN(Cc2csc([N+](=O)[O-])c2)[C@H](C)CN1C ZINC000351957274 219265930 /nfs/dbraw/zinc/26/59/30/219265930.db2.gz FUKCTNKKXWVVMZ-NXEZZACHSA-N 0 1 269.370 2.181 20 5 CEBDMN Cc1cc(CNc2nc3ccccc3cc2[N+](=O)[O-])n[nH]1 ZINC000616058713 348435256 /nfs/dbraw/zinc/43/52/56/348435256.db2.gz HCUWMYOVXKQNRP-UHFFFAOYSA-N 0 1 283.291 2.209 20 5 CEBDMN CC(C)[C@H](C)N(C)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000352105044 219321772 /nfs/dbraw/zinc/32/17/72/219321772.db2.gz FBYFQQLVKLMIIL-VIFPVBQESA-N 0 1 266.297 2.417 20 5 CEBDMN COc1cc([N+](=O)[O-])ccc1CN1CCC[C@H]([C@@H](C)O)C1 ZINC000569062875 299176597 /nfs/dbraw/zinc/17/65/97/299176597.db2.gz WYYFCCMNBFDADA-NEPJUHHUSA-N 0 1 294.351 2.196 20 5 CEBDMN O=[N+]([O-])c1ccc(N[C@H]2CCN(Cc3ccncc3)C2)nc1 ZINC000122266480 187023442 /nfs/dbraw/zinc/02/34/42/187023442.db2.gz SFMMXHZYSLIHQU-ZDUSSCGKSA-N 0 1 299.334 2.071 20 5 CEBDMN O=[N+]([O-])c1ccccc1CNC[C@@H]1COC2(CCCC2)O1 ZINC000271482398 191163825 /nfs/dbraw/zinc/16/38/25/191163825.db2.gz XWNNELCOMCLHIZ-CYBMUJFWSA-N 0 1 292.335 2.370 20 5 CEBDMN COc1cc(CN[C@@H]2COCC2(C)C)c([N+](=O)[O-])cc1F ZINC000451813602 283114062 /nfs/dbraw/zinc/11/40/62/283114062.db2.gz RHTGNLYGYRFFSZ-CYBMUJFWSA-N 0 1 298.314 2.257 20 5 CEBDMN C[C@@H](NCC(=O)N1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000134822817 366362452 /nfs/dbraw/zinc/36/24/52/366362452.db2.gz BOGRCNXEYWRRHT-GFCCVEGCSA-N 0 1 291.351 2.258 20 5 CEBDMN CC[C@@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)C(F)F ZINC000452246631 283229672 /nfs/dbraw/zinc/22/96/72/283229672.db2.gz ONACQZGTQBMIKV-SECBINFHSA-N 0 1 274.223 2.074 20 5 CEBDMN CC[C@@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)C(F)F ZINC000452258614 283234013 /nfs/dbraw/zinc/23/40/13/283234013.db2.gz XGVPFFDOVORJIX-MRVPVSSYSA-N 0 1 298.249 2.245 20 5 CEBDMN COc1cc(N2C[C@@H](C)N(C)[C@H](C)C2)c([N+](=O)[O-])cc1F ZINC000338783240 366520865 /nfs/dbraw/zinc/52/08/65/366520865.db2.gz FZNHKMLYDGHJAW-NXEZZACHSA-N 0 1 297.330 2.271 20 5 CEBDMN COC(=O)C[C@@H]1CCCN1Cc1cccc([N+](=O)[O-])c1 ZINC000179143667 189172731 /nfs/dbraw/zinc/17/27/31/189172731.db2.gz OZFZYZLEFGPRJX-LBPRGKRZSA-N 0 1 278.308 2.122 20 5 CEBDMN O=[N+]([O-])c1ccc(CCN2CCOC[C@H]2C2CC2)cc1 ZINC000090010120 364035821 /nfs/dbraw/zinc/03/58/21/364035821.db2.gz PAAAGDXACPPFSB-HNNXBMFYSA-N 0 1 276.336 2.248 20 5 CEBDMN CN(Cc1nccs1)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356638106 370779524 /nfs/dbraw/zinc/77/95/24/370779524.db2.gz UUDQCBPDIVMMPK-UHFFFAOYSA-N 0 1 293.304 2.029 20 5 CEBDMN C[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])c1ccc(F)cc1F ZINC000158941652 366862143 /nfs/dbraw/zinc/86/21/43/366862143.db2.gz CLLWSFDDVOWEKD-ZCFIWIBFSA-N 0 1 296.233 2.087 20 5 CEBDMN COc1ccc([N+](=O)[O-])cc1CN1[C@H](C)CCC[C@@H]1CO ZINC000159095920 366876429 /nfs/dbraw/zinc/87/64/29/366876429.db2.gz YZJTXUYLASKLNZ-BXUZGUMPSA-N 0 1 294.351 2.339 20 5 CEBDMN O=C(N[C@H]1CCC[C@@H]1F)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000340837040 367050667 /nfs/dbraw/zinc/05/06/67/367050667.db2.gz ZNFTVMYNWUFKQT-ONGXEEELSA-N 0 1 292.270 2.092 20 5 CEBDMN CC(C)(C)N1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000597922966 367209451 /nfs/dbraw/zinc/20/94/51/367209451.db2.gz HQCNZXCVEDZRPN-SECBINFHSA-N 0 1 297.380 2.259 20 5 CEBDMN CC(C)(C)N1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000597922967 367209600 /nfs/dbraw/zinc/20/96/00/367209600.db2.gz HQCNZXCVEDZRPN-VIFPVBQESA-N 0 1 297.380 2.259 20 5 CEBDMN C[C@@H]1CN(Cc2cccc([N+](=O)[O-])c2)CCCO1 ZINC000170766134 367409043 /nfs/dbraw/zinc/40/90/43/367409043.db2.gz GMDHIYRKMFVOIG-LLVKDONJSA-N 0 1 250.298 2.206 20 5 CEBDMN C[C@@H]1CN(Cc2ccccc2[N+](=O)[O-])CCCO1 ZINC000170774481 367411869 /nfs/dbraw/zinc/41/18/69/367411869.db2.gz YLYJOPJEKMJBNU-LLVKDONJSA-N 0 1 250.298 2.206 20 5 CEBDMN CCCN(C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000171557109 367566983 /nfs/dbraw/zinc/56/69/83/367566983.db2.gz FWECFLWFXOOPAE-UHFFFAOYSA-N 0 1 288.307 2.486 20 5 CEBDMN O=[N+]([O-])c1cccc(CN2CCC(C3OCCO3)CC2)c1 ZINC000171237756 367501699 /nfs/dbraw/zinc/50/16/99/367501699.db2.gz PIOXZUCLCYNCIF-UHFFFAOYSA-N 0 1 292.335 2.180 20 5 CEBDMN CCN(CC)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000342861731 367575940 /nfs/dbraw/zinc/57/59/40/367575940.db2.gz WNRQRXWUAOLMLA-JTQLQIEISA-N 0 1 265.313 2.264 20 5 CEBDMN C[C@H]1CCCC[C@H]1CCNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000343398524 367792580 /nfs/dbraw/zinc/79/25/80/367792580.db2.gz KAHWNACJYJTIDS-UWVGGRQHSA-N 0 1 280.328 2.264 20 5 CEBDMN CCN1C[C@@H](C)N(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000344456473 368126175 /nfs/dbraw/zinc/12/61/75/368126175.db2.gz PSDHFGKUYOTEJS-TXEJJXNPSA-N 0 1 291.351 2.150 20 5 CEBDMN CC(C)[C@H]1CN(CCc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000330736577 203170816 /nfs/dbraw/zinc/17/08/16/203170816.db2.gz MFKNDXUPUSMOKS-OAHLLOKOSA-N 0 1 278.352 2.494 20 5 CEBDMN O=[N+]([O-])c1cc(Cl)ccc1NCCN1CCC1 ZINC000349216421 369269461 /nfs/dbraw/zinc/26/94/61/369269461.db2.gz OCSUWFGEUYBZBT-UHFFFAOYSA-N 0 1 255.705 2.366 20 5 CEBDMN C[C@H]1CC[C@H](C)N1CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000330889538 203357037 /nfs/dbraw/zinc/35/70/37/203357037.db2.gz BKAXGOTZCRRUOW-QWRGUYRKSA-N 0 1 277.324 2.406 20 5 CEBDMN CC[N@H+]1CCCC[C@H]1CNc1ncc([N+](=O)[O-])s1 ZINC000190328246 369613972 /nfs/dbraw/zinc/61/39/72/369613972.db2.gz NLBNOGZPKRYTRA-VIFPVBQESA-N 0 1 270.358 2.338 20 5 CEBDMN CCN1CCCC[C@H]1CNc1ncc([N+](=O)[O-])s1 ZINC000190328246 369613976 /nfs/dbraw/zinc/61/39/76/369613976.db2.gz NLBNOGZPKRYTRA-VIFPVBQESA-N 0 1 270.358 2.338 20 5 CEBDMN CC(C)[C@](C)(CO)NCc1c(F)cc([N+](=O)[O-])cc1F ZINC000352895986 369939036 /nfs/dbraw/zinc/93/90/36/369939036.db2.gz WTNJCUWTGZDVPE-ZDUSSCGKSA-N 0 1 288.294 2.370 20 5 CEBDMN COc1ccc(CN2CCC[C@@](C)(O)CC2)cc1[N+](=O)[O-] ZINC000230377423 370457561 /nfs/dbraw/zinc/45/75/61/370457561.db2.gz RIAKYEWZSSPVET-OAHLLOKOSA-N 0 1 294.351 2.340 20 5 CEBDMN CC(C)N(Cc1c([N+](=O)[O-])ncn1C)C1CCC1 ZINC000331753850 204126105 /nfs/dbraw/zinc/12/61/05/204126105.db2.gz GWWJQFOTDAXKAZ-UHFFFAOYSA-N 0 1 252.318 2.091 20 5 CEBDMN O=C([C@H]1CC1[N+](=O)[O-])N1CCC(=Cc2ccccc2)CC1 ZINC000361030381 371609824 /nfs/dbraw/zinc/60/98/24/371609824.db2.gz CBDBLAWJKJXYQY-GJZGRUSLSA-N 0 1 286.331 2.358 20 5 CEBDMN CCN(CC(C)(C)C)C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000361222241 371723864 /nfs/dbraw/zinc/72/38/64/371723864.db2.gz WOAPZCUQMLRXLW-UHFFFAOYSA-N 0 1 268.317 2.135 20 5 CEBDMN Cc1cc([N+](=O)[O-])ccc1-c1nc(C2(N)CCC2)no1 ZINC000261791382 371734406 /nfs/dbraw/zinc/73/44/06/371734406.db2.gz OMXDWBZOZAYNRT-UHFFFAOYSA-N 0 1 274.280 2.291 20 5 CEBDMN CN(Cc1c([N+](=O)[O-])ncn1C)[C@H]1CCC(C)(C)C1 ZINC000361471278 371864671 /nfs/dbraw/zinc/86/46/71/371864671.db2.gz YTJJPNLUJUOTGW-JTQLQIEISA-N 0 1 266.345 2.339 20 5 CEBDMN Cc1ccc([C@]2(C)CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)cc1 ZINC000364314071 372724234 /nfs/dbraw/zinc/72/42/34/372724234.db2.gz KNMNAVAGRUVCOE-IJEWVQPXSA-N 0 1 288.347 2.150 20 5 CEBDMN O=C([C@H]1CC1[N+](=O)[O-])N1CCC(c2ccsc2)CC1 ZINC000368880755 373284565 /nfs/dbraw/zinc/28/45/65/373284565.db2.gz BBXLJODWLAHUMC-RYUDHWBXSA-N 0 1 280.349 2.119 20 5 CEBDMN O=[N+]([O-])c1ccccc1OCCN1CCC[C@H]2COC[C@H]21 ZINC000370234625 373612412 /nfs/dbraw/zinc/61/24/12/373612412.db2.gz ZSESISSJBCAJTL-GXTWGEPZSA-N 0 1 292.335 2.084 20 5 CEBDMN CC1(C)CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C[C@@H]1c1ccccc1 ZINC000372113355 374043769 /nfs/dbraw/zinc/04/37/69/374043769.db2.gz JBDZRYKIWBFNOW-MCIONIFRSA-N 0 1 288.347 2.304 20 5 CEBDMN O=C([C@H]1CC1[N+](=O)[O-])N1CCC(c2cccc(F)c2)CC1 ZINC000374068958 374480608 /nfs/dbraw/zinc/48/06/08/374480608.db2.gz XRYBPNIFGXNLMP-KBPBESRZSA-N 0 1 292.310 2.197 20 5 CEBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCSC[C@H]1c1cccs1 ZINC000374122768 374493009 /nfs/dbraw/zinc/49/30/09/374493009.db2.gz QXYPAJLMLBVKMM-UTLUCORTSA-N 0 1 298.389 2.030 20 5 CEBDMN CC[C@H](C)c1nc([C@H](C)Nc2c([N+](=O)[O-])ncn2C)n[nH]1 ZINC000277479885 374536178 /nfs/dbraw/zinc/53/61/78/374536178.db2.gz SIJIUSNUUQMFLA-YUMQZZPRSA-N 0 1 293.331 2.133 20 5 CEBDMN O=C(N[C@@H]1CCC[C@@H]1c1ccccc1)[C@@H]1CC1[N+](=O)[O-] ZINC000377604130 374895552 /nfs/dbraw/zinc/89/55/52/374895552.db2.gz CNKDVVYZIOUOPK-SYQHCUMBSA-N 0 1 274.320 2.104 20 5 CEBDMN CCOc1cc(CN2C[C@@H](O)C(C)(C)C2)ccc1[N+](=O)[O-] ZINC000279973314 375049954 /nfs/dbraw/zinc/04/99/54/375049954.db2.gz ZBKQZAGFKXBACC-CQSZACIVSA-N 0 1 294.351 2.196 20 5 CEBDMN CC(C)[N@@H+](C)C[C@@H](C)Nc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000386512046 375261874 /nfs/dbraw/zinc/26/18/74/375261874.db2.gz CPLVJGHPTGFNEJ-SNVBAGLBSA-N 0 1 295.339 2.434 20 5 CEBDMN Cc1[nH]nc(C(=O)N2CC[C@@]3(CC[C@H](C)C3)C2)c1[N+](=O)[O-] ZINC000408175358 375423072 /nfs/dbraw/zinc/42/30/72/375423072.db2.gz YLQXCDZBAJXHGF-LKFCYVNXSA-N 0 1 292.339 2.279 20 5 CEBDMN O=[N+]([O-])c1ccc2[nH]cc(CCNCc3cocn3)c2c1 ZINC000558125640 376592916 /nfs/dbraw/zinc/59/29/16/376592916.db2.gz HREAEFCKHCLQBG-UHFFFAOYSA-N 0 1 286.291 2.396 20 5 CEBDMN CC[C@H]1CN(C)CCN1Cc1ccc([N+](=O)[O-])cc1F ZINC000560618721 376770969 /nfs/dbraw/zinc/77/09/69/376770969.db2.gz GOBSXSBKHALMMV-LBPRGKRZSA-N 0 1 281.331 2.260 20 5 CEBDMN CC(C)[C@H]1C[N@@H+](C)CCN1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000330894484 377202431 /nfs/dbraw/zinc/20/24/31/377202431.db2.gz FJLVXVOFQCUNOX-OAHLLOKOSA-N 0 1 293.367 2.072 20 5 CEBDMN CCc1[nH]nc(C(=O)N(C)Cc2occc2C)c1[N+](=O)[O-] ZINC000293857930 377791185 /nfs/dbraw/zinc/79/11/85/377791185.db2.gz DDJOPYRSKAHJFT-UHFFFAOYSA-N 0 1 292.295 2.054 20 5 CEBDMN O=C(c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1)N1CCCC1 ZINC000294295258 377970233 /nfs/dbraw/zinc/97/02/33/377970233.db2.gz VSYLOQQYWPGDJB-UHFFFAOYSA-N 0 1 286.291 2.221 20 5 CEBDMN Cc1ccc([C@@H](O)CNCc2csc([N+](=O)[O-])c2)o1 ZINC000265993004 190221117 /nfs/dbraw/zinc/22/11/17/190221117.db2.gz OATZBHYFEGZQHG-JTQLQIEISA-N 0 1 282.321 2.381 20 5 CEBDMN CS[C@H]1CCN(C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])C1 ZINC000295557302 378210564 /nfs/dbraw/zinc/21/05/64/378210564.db2.gz NFDKVJAYOJSVKE-QMMMGPOBSA-N 0 1 298.368 2.019 20 5 CEBDMN Cc1nc([C@@H]2CCCCN2c2ccc([N+](=O)[O-])nc2)n[nH]1 ZINC000450496646 378451556 /nfs/dbraw/zinc/45/15/56/378451556.db2.gz ACJQDVCCFHJVOJ-NSHDSACASA-N 0 1 288.311 2.148 20 5 CEBDMN Cc1[nH]nc(C(=O)N(C)[C@H](C)c2ccco2)c1[N+](=O)[O-] ZINC000299498174 379020723 /nfs/dbraw/zinc/02/07/23/379020723.db2.gz BTEGRKORZHRPRH-MRVPVSSYSA-N 0 1 278.268 2.053 20 5 CEBDMN CCN(Cc1cccs1)C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000299501123 379022701 /nfs/dbraw/zinc/02/27/01/379022701.db2.gz CVQVRPOBPBKTOP-UHFFFAOYSA-N 0 1 294.336 2.350 20 5 CEBDMN CC[C@H]1CN(CC)CCN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000456338771 379395956 /nfs/dbraw/zinc/39/59/56/379395956.db2.gz COPBDPQVNPJLHQ-ZDUSSCGKSA-N 0 1 291.351 2.151 20 5 CEBDMN CCC1(O)CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC000266619237 190271782 /nfs/dbraw/zinc/27/17/82/190271782.db2.gz ZCAKATJCGALHCJ-UHFFFAOYSA-N 0 1 264.325 2.332 20 5 CEBDMN CCC1(NC(=O)c2n[nH]cc2[N+](=O)[O-])CCCCC1 ZINC000456240770 379361561 /nfs/dbraw/zinc/36/15/61/379361561.db2.gz XIGOMMGMOAAANS-UHFFFAOYSA-N 0 1 266.301 2.161 20 5 CEBDMN CC[C@H]1CN(CC)CCN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000456361836 379405547 /nfs/dbraw/zinc/40/55/47/379405547.db2.gz VZBKWJIVQCPSFO-ZDUSSCGKSA-N 0 1 291.351 2.151 20 5 CEBDMN C[C@H](C[S@@](C)=O)N(C)[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000520428322 379467800 /nfs/dbraw/zinc/46/78/00/379467800.db2.gz QPSNBPVBEWHYGX-LITPITGPSA-N 0 1 296.392 2.281 20 5 CEBDMN O=[N+]([O-])c1ccccc1CN(CCCCO)C1CC1 ZINC000304247855 379536314 /nfs/dbraw/zinc/53/63/14/379536314.db2.gz OXAHEBHKXVZKSL-UHFFFAOYSA-N 0 1 264.325 2.332 20 5 CEBDMN CCCc1[nH]nc(C(=O)N2C3CCC2CC3)c1[N+](=O)[O-] ZINC000521891703 379549659 /nfs/dbraw/zinc/54/96/59/379549659.db2.gz LBLOFPMBQRLMFZ-UHFFFAOYSA-N 0 1 278.312 2.037 20 5 CEBDMN CCCc1[nH]nc(C(=O)N2CC(C(C)(C)C)C2)c1[N+](=O)[O-] ZINC000457346353 379757563 /nfs/dbraw/zinc/75/75/63/379757563.db2.gz UQWHJHQYUMUWBO-UHFFFAOYSA-N 0 1 294.355 2.389 20 5 CEBDMN Cc1ccc([C@H](C)NC(=O)[C@H]2CCCN2C)cc1[N+](=O)[O-] ZINC000267771140 190353772 /nfs/dbraw/zinc/35/37/72/190353772.db2.gz VKXXSAQQZMHEGO-WCQYABFASA-N 0 1 291.351 2.175 20 5 CEBDMN C[C@H]1CC[C@@H](CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000334071271 380231735 /nfs/dbraw/zinc/23/17/35/380231735.db2.gz ZYBLQQKLQSGKQN-VHSXEESVSA-N 0 1 278.308 2.466 20 5 CEBDMN O=[N+]([O-])c1cc(F)ccc1N1CC[C@H](N2CC=CC2)C1 ZINC000266279045 285095748 /nfs/dbraw/zinc/09/57/48/285095748.db2.gz SXCOBXCLRIKLTA-LBPRGKRZSA-N 0 1 277.299 2.184 20 5 CEBDMN COC(=O)[C@]1(C)CCCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000412117266 533588988 /nfs/dbraw/zinc/58/89/88/533588988.db2.gz YZOLHKMQUZBYJR-OAHLLOKOSA-N 0 1 292.335 2.370 20 5 CEBDMN O=[N+]([O-])c1cccc(SCCN2CCCOCC2)c1 ZINC000413004882 394459238 /nfs/dbraw/zinc/45/92/38/394459238.db2.gz LHBBOEHJCVNOMH-UHFFFAOYSA-N 0 1 282.365 2.409 20 5 CEBDMN C[C@H]1[C@@H](Nc2ncc([N+](=O)[O-])cc2F)CCCN1C ZINC000413233317 394508722 /nfs/dbraw/zinc/50/87/22/394508722.db2.gz DATIEVPLXRBGEW-KWQFWETISA-N 0 1 268.292 2.024 20 5 CEBDMN Cc1nc([C@@H]2CCN(c3c(F)cccc3[N+](=O)[O-])C2)n[nH]1 ZINC000413560223 394584081 /nfs/dbraw/zinc/58/40/81/394584081.db2.gz ZOLPNWKZBBBHIW-SECBINFHSA-N 0 1 291.286 2.154 20 5 CEBDMN Cc1nnc([C@@H]2CCN(c3c(F)cccc3[N+](=O)[O-])C2)[nH]1 ZINC000413560223 394584084 /nfs/dbraw/zinc/58/40/84/394584084.db2.gz ZOLPNWKZBBBHIW-SECBINFHSA-N 0 1 291.286 2.154 20 5 CEBDMN CCc1[nH]nc(C(=O)N2CC[C@H](C)C(C)(C)C2)c1[N+](=O)[O-] ZINC000273554958 394788551 /nfs/dbraw/zinc/78/85/51/394788551.db2.gz AUWDBCLKWRDNLK-VIFPVBQESA-N 0 1 294.355 2.389 20 5 CEBDMN Cc1cnc([C@@H]2CCCCN2C(=O)[C@@H]2CC2[N+](=O)[O-])s1 ZINC000360829173 394808600 /nfs/dbraw/zinc/80/86/00/394808600.db2.gz MLCGJKYOTXACGX-OUAUKWLOSA-N 0 1 295.364 2.170 20 5 CEBDMN C[C@@H]1CSc2ccccc2CN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000364371418 394894851 /nfs/dbraw/zinc/89/48/51/394894851.db2.gz WITHHLIGPCQVPY-YUSALJHKSA-N 0 1 292.360 2.175 20 5 CEBDMN Cc1cccc(N2C[C@@H](C)N(C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000338788494 394928974 /nfs/dbraw/zinc/92/89/74/394928974.db2.gz UTZPUWPLGAXCDK-VXGBXAGGSA-N 0 1 263.341 2.432 20 5 CEBDMN COc1cc([N+](=O)[O-])ccc1CN1[C@@H](C)CCC[C@H]1CO ZINC000430212874 395164240 /nfs/dbraw/zinc/16/42/40/395164240.db2.gz QUXHSXNZTLORFZ-FZMZJTMJSA-N 0 1 294.351 2.339 20 5 CEBDMN C[C@@H]1C[C@H](C)CN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000408150778 395293276 /nfs/dbraw/zinc/29/32/76/395293276.db2.gz RTEYWCOXUQADPX-DTWKUNHWSA-N 0 1 288.307 2.342 20 5 CEBDMN CC(=O)NCCN(C)[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000573365471 395606776 /nfs/dbraw/zinc/60/67/76/395606776.db2.gz YBIJWCQYNMLIHP-LLVKDONJSA-N 0 1 279.340 2.032 20 5 CEBDMN Cc1c(CN2CC[C@@](O)(C(F)F)C2)cccc1[N+](=O)[O-] ZINC000451439379 395618482 /nfs/dbraw/zinc/61/84/82/395618482.db2.gz NXKHFYJQZXXECV-ZDUSSCGKSA-N 0 1 286.278 2.105 20 5 CEBDMN CO[C@H]1CCN([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000267660791 286061614 /nfs/dbraw/zinc/06/16/14/286061614.db2.gz MPURUYYQGGUSKD-QWRGUYRKSA-N 0 1 250.298 2.377 20 5 CEBDMN O=C([O-])[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000035308489 172121570 /nfs/dbraw/zinc/12/15/70/172121570.db2.gz RGRSBOLMFZTMNF-SECBINFHSA-N 0 1 282.271 2.031 20 5 CEBDMN CC(C)C(=O)NCCNCc1cc([N+](=O)[O-])ccc1Cl ZINC000035368183 172159418 /nfs/dbraw/zinc/15/94/18/172159418.db2.gz FLBAJSBUERKJIA-UHFFFAOYSA-N 0 1 299.758 2.110 20 5 CEBDMN COc1ccc([N+](=O)[O-])cc1CN(C)CC1CC1 ZINC000076747190 177083596 /nfs/dbraw/zinc/08/35/96/177083596.db2.gz XJNYBFXPBKTQOE-UHFFFAOYSA-N 0 1 250.298 2.445 20 5 CEBDMN C[C@H]1CC[C@H](C(=O)[O-])C[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000397479668 270353972 /nfs/dbraw/zinc/35/39/72/270353972.db2.gz CXMTYOLXWHTSTM-JQWIXIFHSA-N 0 1 278.308 2.280 20 5 CEBDMN COCCO[C@@H]1CCN([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000249406533 280395864 /nfs/dbraw/zinc/39/58/64/280395864.db2.gz UOQBUDOVDLPDPU-SWLSCSKDSA-N 0 1 294.351 2.393 20 5 CEBDMN Cc1cc(N2CC[C@](C)(O)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000228557290 280578960 /nfs/dbraw/zinc/57/89/60/280578960.db2.gz RWXTZQZMFLRGJU-HNNXBMFYSA-N 0 1 287.319 2.413 20 5 CEBDMN COc1ccc([N+](=O)[O-])cc1CN[C@H]1COC(C)(C)C1 ZINC000396675407 280675625 /nfs/dbraw/zinc/67/56/25/280675625.db2.gz UIFSASNHZZEPPR-LLVKDONJSA-N 0 1 280.324 2.261 20 5 CEBDMN Cc1ccc([C@@H](C)N[C@@H]2CCCCNC2=O)cc1[N+](=O)[O-] ZINC000036976539 280941160 /nfs/dbraw/zinc/94/11/60/280941160.db2.gz LNDXWBNIQSWXLD-DGCLKSJQSA-N 0 1 291.351 2.223 20 5 CEBDMN COc1cc(CN2CCC[C@@H]([C@@H](C)O)C2)ccc1[N+](=O)[O-] ZINC000305864286 289274861 /nfs/dbraw/zinc/27/48/61/289274861.db2.gz ZAZXGCLSIJHALQ-DGCLKSJQSA-N 0 1 294.351 2.196 20 5 CEBDMN CC1(C)CC(CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000548057534 298390266 /nfs/dbraw/zinc/39/02/66/298390266.db2.gz CCZMPUMSNQYBDX-UHFFFAOYSA-N 0 1 278.308 2.466 20 5 CEBDMN COc1cccc([N+](=O)[O-])c1N1CC[C@@H](N2CC=CC2)C1 ZINC000516193069 313085315 /nfs/dbraw/zinc/08/53/15/313085315.db2.gz FWLSCOMIIDAIQB-GFCCVEGCSA-N 0 1 289.335 2.054 20 5 CEBDMN C[C@H]1CN2CCCC[C@@H]2CN1c1ncc([N+](=O)[O-])cc1F ZINC000571293231 314082959 /nfs/dbraw/zinc/08/29/59/314082959.db2.gz LVVSGLUOHHOIPM-WDEREUQCSA-N 0 1 294.330 2.192 20 5 CEBDMN CC[C@@H](N[C@@H](C)c1cc([N+](=O)[O-])ccc1C)C(=O)NC ZINC000579077591 314545608 /nfs/dbraw/zinc/54/56/08/314545608.db2.gz HCXVNBZUVJRYDR-GXFFZTMASA-N 0 1 279.340 2.078 20 5 CEBDMN C[C@@H]1CC[C@@H](C(=O)[O-])C[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000397325750 329349863 /nfs/dbraw/zinc/34/98/63/329349863.db2.gz AERZKRXQYPCDSF-ZYHUDNBSSA-N 0 1 278.308 2.280 20 5 CEBDMN C[C@H](Nc1ccc([N+](=O)[O-])c2cccnc12)c1nnc[nH]1 ZINC000226500042 525659731 /nfs/dbraw/zinc/65/97/31/525659731.db2.gz RNTVXWPIIWXNFN-QMMMGPOBSA-N 0 1 284.279 2.434 20 5 CEBDMN O=C([C@H]1CC1[N+](=O)[O-])N1CC=C(c2cccs2)CC1 ZINC000363410799 526566076 /nfs/dbraw/zinc/56/60/76/526566076.db2.gz HFSKTAWNGQXKCT-WDEREUQCSA-N 0 1 278.333 2.029 20 5 CEBDMN O=[N+]([O-])c1ccc(F)cc1CN1C[C@H]2CCC[C@@H](C1)C2O ZINC000363656676 527357190 /nfs/dbraw/zinc/35/71/90/527357190.db2.gz OJHZSYKBONVDDC-YWXMQNBFSA-N 0 1 294.326 2.327 20 5 CEBDMN CC(C)[C@H](CNc1ccc([N+](=O)[O-])cc1)N1CCOCC1 ZINC000248274486 535023018 /nfs/dbraw/zinc/02/30/18/535023018.db2.gz RJRPPOYIMZJQBA-HNNXBMFYSA-N 0 1 293.367 2.364 20 5 CEBDMN C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](CNC(=O)[O-])C1 ZINC000739060781 574891932 /nfs/dbraw/zinc/89/19/32/574891932.db2.gz VRNCCFSVYLDPCK-QWRGUYRKSA-N 0 1 293.323 2.245 20 5 CEBDMN C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](NC(=O)[O-])C1 ZINC000825638026 604036290 /nfs/dbraw/zinc/03/62/90/604036290.db2.gz JCONEZHBSUBVIQ-QWRGUYRKSA-N 0 1 293.323 2.388 20 5 CEBDMN C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](NC(=O)[O-])C1 ZINC000825638026 604036294 /nfs/dbraw/zinc/03/62/94/604036294.db2.gz JCONEZHBSUBVIQ-QWRGUYRKSA-N 0 1 293.323 2.388 20 5 CEBDMN C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](CNC(=O)[O-])C1 ZINC000825638770 604042810 /nfs/dbraw/zinc/04/28/10/604042810.db2.gz OOUKMCBILNTDKJ-QWRGUYRKSA-N 0 1 293.323 2.245 20 5 CEBDMN C[C@@H]1C[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C[C@H]1C(=O)[O-] ZINC000833618286 604665136 /nfs/dbraw/zinc/66/51/36/604665136.db2.gz ABRSJAUEIBSJBU-CBHWHFHUSA-N 0 1 290.319 2.261 20 5 CEBDMN C[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1C(=O)[O-] ZINC000235363153 605212578 /nfs/dbraw/zinc/21/25/78/605212578.db2.gz OHSXOPFCMJVUSP-LDYMZIIASA-N 0 1 298.726 2.401 20 5 CEBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CC[C@H](NC(=O)[O-])C1 ZINC000833907456 605550805 /nfs/dbraw/zinc/55/08/05/605550805.db2.gz JPKDJASZHDAASD-MNOVXSKESA-N 0 1 293.323 2.306 20 5 CEBDMN C[C@@H]1C[C@H](C(=O)[O-])CC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000235361819 625342259 /nfs/dbraw/zinc/34/22/59/625342259.db2.gz YZDBCPNJSBXURJ-GHMZBOCLSA-N 0 1 278.308 2.280 20 5 CEBDMN CCCN1CCN(c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC1 ZINC000891480833 623736581 /nfs/dbraw/zinc/73/65/81/623736581.db2.gz WDVLTBVZIMKPDP-UHFFFAOYSA-N 0 1 294.311 2.035 20 5 CEBDMN C[C@@H]1CSCCCN1Cc1cccnc1[N+](=O)[O-] ZINC000934297008 624395561 /nfs/dbraw/zinc/39/55/61/624395561.db2.gz WZOVZGZTZWVFGQ-SNVBAGLBSA-N 0 1 267.354 2.317 20 5 CEBDMN C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+](C)[C@@H](C)C(=O)[O-] ZINC000901979597 634403743 /nfs/dbraw/zinc/40/37/43/634403743.db2.gz CSUKFWFMCGPVLY-HUYFXPKMSA-N 0 1 278.308 2.403 20 5 CEBDMN C[C@H]1CCN(Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000725778725 624776203 /nfs/dbraw/zinc/77/62/03/624776203.db2.gz ONKPSORFZOFSMK-NSHDSACASA-N 0 1 287.323 2.153 20 5 CEBDMN CN1CC[C@@H]1CNC(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000931298000 628505982 /nfs/dbraw/zinc/50/59/82/628505982.db2.gz TYABXGVTVTZMDK-MRVPVSSYSA-N 0 1 298.730 2.074 20 5 CEBDMN O=C(Nc1cc([N+](=O)[O-])c(F)cc1F)c1cocn1 ZINC000105366830 628785720 /nfs/dbraw/zinc/78/57/20/628785720.db2.gz UXURRUHGHCXGJJ-UHFFFAOYSA-N 0 1 269.163 2.113 20 5 CEBDMN CCOC(=O)CCN(C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094775827 628876303 /nfs/dbraw/zinc/87/63/03/628876303.db2.gz YJRPWWFNUIEIGO-UHFFFAOYSA-N 0 1 284.287 2.119 20 5 CEBDMN O=C(OCc1ccc(Cl)nc1Cl)[C@@H]1CC1[N+](=O)[O-] ZINC000840673679 629362657 /nfs/dbraw/zinc/36/26/57/629362657.db2.gz YHQCSTSZBKTSMG-RNFRBKRXSA-N 0 1 291.090 2.097 20 5 CEBDMN CC(C)c1n[nH]c(COC(=O)c2cccc([N+](=O)[O-])c2)n1 ZINC000795233288 629489325 /nfs/dbraw/zinc/48/93/25/629489325.db2.gz LHWLODSCRZVVBV-UHFFFAOYSA-N 0 1 290.279 2.193 20 5 CEBDMN CC(C)c1nc(COC(=O)c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000795233288 629489328 /nfs/dbraw/zinc/48/93/28/629489328.db2.gz LHWLODSCRZVVBV-UHFFFAOYSA-N 0 1 290.279 2.193 20 5 CEBDMN Cc1nc([C@@H](C)NCc2ccc([N+](=O)[O-])cc2F)n[nH]1 ZINC000894771964 629627328 /nfs/dbraw/zinc/62/73/28/629627328.db2.gz CDGKYCFNXILKMO-SSDOTTSWSA-N 0 1 279.275 2.011 20 5 CEBDMN CC(C)(C)c1ccc(C(=O)Nc2c[nH]nn2)cc1[N+](=O)[O-] ZINC000807922855 631888343 /nfs/dbraw/zinc/88/83/43/631888343.db2.gz LANMYFZLDGMJEH-UHFFFAOYSA-N 0 1 289.295 2.263 20 5 CEBDMN CCCc1[nH]nc(C(=O)N2CCC=C(Cl)C2)c1[N+](=O)[O-] ZINC000898193769 632107834 /nfs/dbraw/zinc/10/78/34/632107834.db2.gz SNBANSBSGPPEBP-UHFFFAOYSA-N 0 1 298.730 2.239 20 5 CEBDMN Cc1ccc([N+](=O)[O-])c(C(=O)N(C)Cc2cnc[nH]2)c1C ZINC000898578176 632545907 /nfs/dbraw/zinc/54/59/07/632545907.db2.gz IARWVAOWHAVFIQ-UHFFFAOYSA-N 0 1 288.307 2.207 20 5 CEBDMN CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])[C@@H]1CCCC[C@@H]1C ZINC000840311612 632784710 /nfs/dbraw/zinc/78/47/10/632784710.db2.gz FICCCSCIPWDUIE-IRCOFANPSA-N 0 1 254.330 2.079 20 5 CEBDMN CC[C@](C)(NC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccccc1 ZINC000840330714 632989512 /nfs/dbraw/zinc/98/95/12/632989512.db2.gz ZNWJFSPGZSMMEA-BZPMIXESSA-N 0 1 262.309 2.093 20 5 CEBDMN O=[N+]([O-])CCNCCOCc1ccc(Cl)cc1Cl ZINC000905199587 635876392 /nfs/dbraw/zinc/87/63/92/635876392.db2.gz HMZZVELZMSORQU-UHFFFAOYSA-N 0 1 293.150 2.376 20 5 CEBDMN CC(C)(C)c1nc(CNc2ccc(N)cc2[N+](=O)[O-])n[nH]1 ZINC000840337387 633597427 /nfs/dbraw/zinc/59/74/27/633597427.db2.gz ZXHUOCVQHDHTBW-UHFFFAOYSA-N 0 1 290.327 2.205 20 5 CEBDMN O=C(NC1(c2ccc(Cl)cc2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC000840343374 633703790 /nfs/dbraw/zinc/70/37/90/633703790.db2.gz XDJWDPVKFMQKJA-GHMZBOCLSA-N 0 1 280.711 2.111 20 5 CEBDMN Cc1nc([C@@H]2CCN(c3ccc([N+](=O)[O-])cc3F)C2)n[nH]1 ZINC000840377554 634111805 /nfs/dbraw/zinc/11/18/05/634111805.db2.gz FAIKGOOSMIDFPZ-SECBINFHSA-N 0 1 291.286 2.154 20 5 CEBDMN Cc1nnc([C@@H]2CCN(c3ccc([N+](=O)[O-])cc3F)C2)[nH]1 ZINC000840377554 634111808 /nfs/dbraw/zinc/11/18/08/634111808.db2.gz FAIKGOOSMIDFPZ-SECBINFHSA-N 0 1 291.286 2.154 20 5 CEBDMN CCC(CC)N(CC(C)C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840377904 634114224 /nfs/dbraw/zinc/11/42/24/634114224.db2.gz MVVWINHELUWLKX-VXGBXAGGSA-N 0 1 256.346 2.325 20 5 CEBDMN Cc1ccoc1CNC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819330010 634142470 /nfs/dbraw/zinc/14/24/70/634142470.db2.gz YKYDIQZAUWGTJX-CYBMUJFWSA-N 0 1 276.292 2.319 20 5 CEBDMN Cc1ccc(C[N@H+]2CCC[C@@H]3C[C@@]32C(=O)[O-])cc1[N+](=O)[O-] ZINC000903935602 635361253 /nfs/dbraw/zinc/36/12/53/635361253.db2.gz LYQOQQXMLZOBFO-DOMZBBRYSA-N 0 1 290.319 2.342 20 5 CEBDMN CSC[C@H](C)C(=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837512222 639261405 /nfs/dbraw/zinc/26/14/05/639261405.db2.gz BQPHTOOBDYJJGI-QMMMGPOBSA-N 0 1 285.321 2.343 20 5 CEBDMN C[C@@H](CCc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H]1C(=O)[O-] ZINC000840996416 639611792 /nfs/dbraw/zinc/61/17/92/639611792.db2.gz OBFONIYAXNADOY-SMDDNHRTSA-N 0 1 292.335 2.465 20 5 CEBDMN C[C@@H]1C[C@H](c2cccc(F)c2)N(CC[N+](=O)[O-])C1 ZINC000929724273 640034569 /nfs/dbraw/zinc/03/45/69/640034569.db2.gz YWVCQKQGNBTWCG-ZWNOBZJWSA-N 0 1 252.289 2.485 20 5 CEBDMN CC(C)[C@@H](N)c1noc(COc2ccccc2[N+](=O)[O-])n1 ZINC000843147057 640306230 /nfs/dbraw/zinc/30/62/30/640306230.db2.gz YXDCOGJDQLBHKS-GFCCVEGCSA-N 0 1 292.295 2.213 20 5 CEBDMN C[C@H](CSc1ccccc1)N(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000844684087 640805264 /nfs/dbraw/zinc/80/52/64/640805264.db2.gz BURABTSFRLCWOD-RAIGVLPGSA-N 0 1 294.376 2.291 20 5 CEBDMN C[C@@H]1CC[C@H](C(=O)[O-])[N@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000844837293 640849991 /nfs/dbraw/zinc/84/99/91/640849991.db2.gz ZBGLTMQXRKLXDY-PRHODGIISA-N 0 1 282.271 2.171 20 5 CEBDMN O=C([O-])[C@@]12CCC[C@@H]1C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C2 ZINC000846283216 641258949 /nfs/dbraw/zinc/25/89/49/641258949.db2.gz FUCVTRCPVIKMGZ-IUODEOHRSA-N 0 1 290.319 2.282 20 5 CEBDMN CC(=O)C1CCN(CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000846954137 641497783 /nfs/dbraw/zinc/49/77/83/641497783.db2.gz RSZWSMFENNFYGJ-UHFFFAOYSA-N 0 1 292.335 2.275 20 5 CEBDMN CCOCCN(CC)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000107668661 642034588 /nfs/dbraw/zinc/03/45/88/642034588.db2.gz LXZLPEVYBIYIBF-UHFFFAOYSA-N 0 1 292.339 2.260 20 5 CEBDMN CC1(C)[C@H](O)CCN1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000877542191 650778119 /nfs/dbraw/zinc/77/81/19/650778119.db2.gz PLNGDHKBFVKARN-GFCCVEGCSA-N 0 1 291.307 2.081 20 5 CEBDMN Cc1ccc([N+](=O)[O-])c(C)c1CNCC1OCCCO1 ZINC000922280340 642997623 /nfs/dbraw/zinc/99/76/23/642997623.db2.gz JDWNDSLCMLOHDV-UHFFFAOYSA-N 0 1 280.324 2.064 20 5 CEBDMN CN(C)c1ccnc(CNCc2csc([N+](=O)[O-])c2)c1 ZINC000922479707 643089276 /nfs/dbraw/zinc/08/92/76/643089276.db2.gz YUIYPAWTQYHXFN-UHFFFAOYSA-N 0 1 292.364 2.407 20 5 CEBDMN CCN1CCC[C@@H](NCc2cccc([N+](=O)[O-])c2C)C1=O ZINC000922639282 643171563 /nfs/dbraw/zinc/17/15/63/643171563.db2.gz MDHYCKMAWXOYLV-CYBMUJFWSA-N 0 1 291.351 2.004 20 5 CEBDMN C[C@@H](C(=O)OCc1cc(O)ccc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000923056735 643541500 /nfs/dbraw/zinc/54/15/00/643541500.db2.gz CEAJVOOBKAXVFI-NOZJJQNGSA-N 0 1 295.291 2.159 20 5 CEBDMN CC(C)[C@@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccccc1 ZINC000839524628 644243317 /nfs/dbraw/zinc/24/33/17/644243317.db2.gz JRPBDCFFHQFVDS-MGPQQGTHSA-N 0 1 276.336 2.208 20 5 CEBDMN C=C/C=C/CCN1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000877917985 650947345 /nfs/dbraw/zinc/94/73/45/650947345.db2.gz LHOVZFOLPXWZMH-ONEGZZNKSA-N 0 1 288.351 2.244 20 5 CEBDMN CC(C)[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccc(F)cc1 ZINC000839689187 644774075 /nfs/dbraw/zinc/77/40/75/644774075.db2.gz LIUWIBBWZRUZLR-UPJWGTAASA-N 0 1 280.299 2.304 20 5 CEBDMN Cc1ccc(C[C@H](C)NC(=O)[C@@H]2CC2[N+](=O)[O-])c(C)c1 ZINC000839672882 644779875 /nfs/dbraw/zinc/77/98/75/644779875.db2.gz UDQSKLMRJPVTEJ-IACUBPJLSA-N 0 1 276.336 2.016 20 5 CEBDMN CC[C@H](C)n1ncc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1C1CC1 ZINC000839716352 644790516 /nfs/dbraw/zinc/79/05/16/644790516.db2.gz NTCPAGDBEXXTJO-MKPLZMMCSA-N 0 1 292.339 2.335 20 5 CEBDMN CC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCCCCC1 ZINC000839720605 644791552 /nfs/dbraw/zinc/79/15/52/644791552.db2.gz ISJQPRIHGOAZSH-GHMZBOCLSA-N 0 1 254.330 2.128 20 5 CEBDMN CC[C@@H]1Cc2ccccc2CN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839724406 644792523 /nfs/dbraw/zinc/79/25/23/644792523.db2.gz HTVLQQRIHOETNP-MGPQQGTHSA-N 0 1 274.320 2.015 20 5 CEBDMN O=C(NCCCCCc1ccc(F)cc1)[C@@H]1CC1[N+](=O)[O-] ZINC000839731324 644795471 /nfs/dbraw/zinc/79/54/71/644795471.db2.gz OSPTURKCZIZEOF-ZIAGYGMSSA-N 0 1 294.326 2.320 20 5 CEBDMN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000839772654 644810216 /nfs/dbraw/zinc/81/02/16/644810216.db2.gz CFAJXPFDUCMYEA-UTINFBMNSA-N 0 1 294.273 2.231 20 5 CEBDMN C[C@@H](c1ccccc1[N+](=O)[O-])N1CCN(C)[C@H](C)C1 ZINC000761076957 645232748 /nfs/dbraw/zinc/23/27/48/645232748.db2.gz QKBDRECHZISNKW-NEPJUHHUSA-N 0 1 263.341 2.292 20 5 CEBDMN Cc1c(CN2CCN(C)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000761080749 645233742 /nfs/dbraw/zinc/23/37/42/645233742.db2.gz XUGNMCQMKRTOPH-NSHDSACASA-N 0 1 263.341 2.039 20 5 CEBDMN C[C@H](Nc1nc2ccc([N+](=O)[O-])cc2s1)c1nnc[nH]1 ZINC000769249297 646230014 /nfs/dbraw/zinc/23/00/14/646230014.db2.gz FVSCUHZLBZLEGK-LURJTMIESA-N 0 1 290.308 2.496 20 5 CEBDMN CCc1cc(CNC(=O)c2c(C)cccc2[N+](=O)[O-])n[nH]1 ZINC000772266614 646612664 /nfs/dbraw/zinc/61/26/64/646612664.db2.gz MZGSKWUNMWAGLG-UHFFFAOYSA-N 0 1 288.307 2.119 20 5 CEBDMN CS[C@H]1CC[C@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000780590852 647449649 /nfs/dbraw/zinc/44/96/49/647449649.db2.gz VMABAODXSPSCJO-CABZTGNLSA-N 0 1 296.348 2.314 20 5 CEBDMN CN(C[C@@H]1CC=CCC1)Cn1cc([N+](=O)[O-])cn1 ZINC000784007397 647785389 /nfs/dbraw/zinc/78/53/89/647785389.db2.gz DRZSDXPQPWYJDF-LLVKDONJSA-N 0 1 250.302 2.037 20 5 CEBDMN C[C@H](N[C@H](CO)CCF)c1c(F)cccc1[N+](=O)[O-] ZINC000872085514 649268868 /nfs/dbraw/zinc/26/88/68/649268868.db2.gz ZIZGTKMQDXSKTJ-IUCAKERBSA-N 0 1 274.267 2.105 20 5 CEBDMN Cc1ccc(CNC[C@H](O)c2cccc([N+](=O)[O-])c2)o1 ZINC000872223856 649321449 /nfs/dbraw/zinc/32/14/49/649321449.db2.gz OGXAWMNPJYZURF-AWEZNQCLSA-N 0 1 276.292 2.319 20 5 CEBDMN Cc1c(CNCc2n[nH]c(C3CC3)n2)cccc1[N+](=O)[O-] ZINC000873129323 649565078 /nfs/dbraw/zinc/56/50/78/649565078.db2.gz MQSFNPRQFWQCNE-UHFFFAOYSA-N 0 1 287.323 2.189 20 5 CEBDMN C[C@]1(C(F)(F)F)CCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000879999797 651371976 /nfs/dbraw/zinc/37/19/76/651371976.db2.gz AZLJCBHWSGTUGT-JTQLQIEISA-N 0 1 292.261 2.066 20 5 CEBDMN CC(C)c1[nH]nc(C(=O)N2CCC[C@H](CF)C2)c1[N+](=O)[O-] ZINC000881600379 651815527 /nfs/dbraw/zinc/81/55/27/651815527.db2.gz RJCDSPAGULIBHY-SECBINFHSA-N 0 1 298.318 2.263 20 5 CEBDMN CCN1CC[C@H]1CNc1c(OC)cccc1[N+](=O)[O-] ZINC000882959884 652291628 /nfs/dbraw/zinc/29/16/28/652291628.db2.gz SOYAFKZPNFCWRZ-JTQLQIEISA-N 0 1 265.313 2.110 20 5 CEBDMN CSCc1n[nH]c(CNc2cc(C)ccc2[N+](=O)[O-])n1 ZINC000884694962 652967921 /nfs/dbraw/zinc/96/79/21/652967921.db2.gz CUUMUUHHOKTEIC-UHFFFAOYSA-N 0 1 293.352 2.496 20 5 CEBDMN CSCc1nnc(CNc2cc(C)ccc2[N+](=O)[O-])[nH]1 ZINC000884694962 652967922 /nfs/dbraw/zinc/96/79/22/652967922.db2.gz CUUMUUHHOKTEIC-UHFFFAOYSA-N 0 1 293.352 2.496 20 5 CEBDMN CN1CC[C@@H](Oc2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC001226908401 805790087 /nfs/dbraw/zinc/79/00/87/805790087.db2.gz GSMFCSYITYOIGR-SSDOTTSWSA-N 0 1 274.679 2.470 20 5 CEBDMN O=[N+]([O-])c1cccc([C@H](O)CN2CC[C@@H]3[C@H](C2)C3(F)F)c1 ZINC001168310912 806643037 /nfs/dbraw/zinc/64/30/37/806643037.db2.gz WLFSGDJTAXCSQF-FRRDWIJNSA-N 0 1 298.289 2.215 20 5 CEBDMN CN1CC[C@H](Nc2ncc(C(C)(C)C)cc2[N+](=O)[O-])C1 ZINC001167270435 802619784 /nfs/dbraw/zinc/61/97/84/802619784.db2.gz VJHQZQDMPJPQGO-NSHDSACASA-N 0 1 278.356 2.403 20 5 CEBDMN O=[N+]([O-])c1cc(F)ccc1CN1CCC[C@H](CO)CC1 ZINC000692810111 803927725 /nfs/dbraw/zinc/92/77/25/803927725.db2.gz GZCQJODDQKPJOX-NSHDSACASA-N 0 1 282.315 2.328 20 5 CEBDMN CCC[C@H](CC(=O)OC)Oc1cc(O)ccc1[N+](=O)[O-] ZINC001225490809 804884863 /nfs/dbraw/zinc/88/48/63/804884863.db2.gz LFVGYBHIQDYROB-SNVBAGLBSA-N 0 1 283.280 2.411 20 5 CEBDMN C[C@@H](Oc1cc(O)ccc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC001225491130 804885358 /nfs/dbraw/zinc/88/53/58/804885358.db2.gz MRUCGFLLWSFVGX-MRVPVSSYSA-N 0 1 283.280 2.409 20 5 CEBDMN COc1cccc2c1CN([C@@H]1CC[C@H](C[N+](=O)[O-])C1)CC2 ZINC001169007647 811333199 /nfs/dbraw/zinc/33/31/99/811333199.db2.gz OWYAWPPEJHPLBH-GXTWGEPZSA-N 0 1 290.363 2.499 20 5 CEBDMN CN(Cc1nccs1)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169036553 811346820 /nfs/dbraw/zinc/34/68/20/811346820.db2.gz GMHOSYIXASCLED-VHSXEESVSA-N 0 1 255.343 2.020 20 5 CEBDMN COc1ccc(C[C@H](C)n2ccnc2CN)c([N+](=O)[O-])c1 ZINC001170300084 812376460 /nfs/dbraw/zinc/37/64/60/812376460.db2.gz WTHDWXBXABSBBM-JTQLQIEISA-N 0 1 290.323 2.062 20 5 CEBDMN Cc1ccnc(N2CCN(C)CC23CCCC3)c1[N+](=O)[O-] ZINC001158408587 812690047 /nfs/dbraw/zinc/69/00/47/812690047.db2.gz KQEYBMXKHNGVJF-UHFFFAOYSA-N 0 1 290.367 2.363 20 5 CEBDMN CC[C@@](N)(CO)Nc1cc(Cl)ccc1/C=C/[N+](=O)[O-] ZINC001170861372 813553834 /nfs/dbraw/zinc/55/38/34/813553834.db2.gz AMOWPFOUJUFHCL-FYJFLYSWSA-N 0 1 285.731 2.057 20 5 CEBDMN CC(C)[C@H](C)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000269143270 190471947 /nfs/dbraw/zinc/47/19/47/190471947.db2.gz OEMSIQCJMHGOAS-QMMMGPOBSA-N 0 1 252.270 2.075 20 5 CEBDMN COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H]1CC(=O)[O-] ZINC000042163186 362064459 /nfs/dbraw/zinc/06/44/59/362064459.db2.gz SYWSVIKBEUMPSQ-LLVKDONJSA-N 0 1 294.307 2.043 20 5 CEBDMN CC1(c2cc(=O)n(-c3ccc([N+](=O)[O-])cc3)[nH]2)CC1 ZINC000601935779 346931611 /nfs/dbraw/zinc/93/16/11/346931611.db2.gz YKUWVAQJXWQGJL-UHFFFAOYSA-N 0 1 259.265 2.488 20 5 CEBDMN Cc1ccc([N+](=O)[O-])cc1-n1[nH]c([C@H]2CCOC2)cc1=O ZINC000601935088 346931711 /nfs/dbraw/zinc/93/17/11/346931711.db2.gz HARBBPRVODPQJL-JTQLQIEISA-N 0 1 289.291 2.032 20 5 CEBDMN Cc1ccc([C@H](C)NCc2cn[nH]c2)cc1[N+](=O)[O-] ZINC000038006002 343433061 /nfs/dbraw/zinc/43/30/61/343433061.db2.gz GEFKKMFQIYWIEV-JTQLQIEISA-N 0 1 260.297 2.477 20 5 CEBDMN Cc1ccc2[nH]c3c(c2c1)CN(C(=O)[C@@H]1CC1[N+](=O)[O-])CC3 ZINC000052531784 343562776 /nfs/dbraw/zinc/56/27/76/343562776.db2.gz LTXQTEKNIJOLCR-ABAIWWIYSA-N 0 1 299.330 2.026 20 5 CEBDMN O=[N+]([O-])c1sccc1NCCCCN1CCOCC1 ZINC000063262462 343675546 /nfs/dbraw/zinc/67/55/46/343675546.db2.gz AXFHPPNXHOBCJH-UHFFFAOYSA-N 0 1 285.369 2.181 20 5 CEBDMN C[C@@]1(CO)CCC[C@@H]1NCc1c(F)cccc1[N+](=O)[O-] ZINC000351495036 219105447 /nfs/dbraw/zinc/10/54/47/219105447.db2.gz PNGKDQCMDGWOFU-KBPBESRZSA-N 0 1 282.315 2.375 20 5 CEBDMN CNC(=O)C1CCN([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000075613431 343859267 /nfs/dbraw/zinc/85/92/67/343859267.db2.gz GQLRPUJRVZRPAC-LLVKDONJSA-N 0 1 291.351 2.114 20 5 CEBDMN CCN1CCN([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000075616079 343859582 /nfs/dbraw/zinc/85/95/82/343859582.db2.gz VHAAXNJLRHTPQQ-LBPRGKRZSA-N 0 1 263.341 2.293 20 5 CEBDMN Cc1n[nH]c(C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000091479116 344164418 /nfs/dbraw/zinc/16/44/18/344164418.db2.gz LBBJPHBKZXBYFK-UHFFFAOYSA-N 0 1 287.323 2.405 20 5 CEBDMN Cc1nnc(C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)[nH]1 ZINC000091479116 344164421 /nfs/dbraw/zinc/16/44/21/344164421.db2.gz LBBJPHBKZXBYFK-UHFFFAOYSA-N 0 1 287.323 2.405 20 5 CEBDMN CCCN(CC(=O)OCC)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000092380317 344187062 /nfs/dbraw/zinc/18/70/62/344187062.db2.gz QCBPRZCTEZIJAS-UHFFFAOYSA-N 0 1 296.323 2.076 20 5 CEBDMN CCOCCNCc1ccc([N+](=O)[O-])cc1Cl ZINC000049963417 362388657 /nfs/dbraw/zinc/38/86/57/362388657.db2.gz UBOOMNSEAISAIX-UHFFFAOYSA-N 0 1 258.705 2.374 20 5 CEBDMN COc1cc(-c2nc([C@H]3CCCN3)no2)ccc1[N+](=O)[O-] ZINC000164984236 344473102 /nfs/dbraw/zinc/47/31/02/344473102.db2.gz QGEMYAJAPXHNJT-SECBINFHSA-N 0 1 290.279 2.078 20 5 CEBDMN CS[C@@H]1CCCCN(Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602488987 347057032 /nfs/dbraw/zinc/05/70/32/347057032.db2.gz XRJFTTJNMOCUKU-LLVKDONJSA-N 0 1 284.385 2.046 20 5 CEBDMN C[C@@H](NCCc1ccccc1[N+](=O)[O-])c1ncc[nH]1 ZINC000285939578 344678911 /nfs/dbraw/zinc/67/89/11/344678911.db2.gz FQVKRWUMXLHVBU-SNVBAGLBSA-N 0 1 260.297 2.211 20 5 CEBDMN CO[C@H](CNCc1nc2cc([N+](=O)[O-])ccc2o1)C(C)C ZINC000602562718 347078632 /nfs/dbraw/zinc/07/86/32/347078632.db2.gz VZRGJLMMUJVALQ-CYBMUJFWSA-N 0 1 293.323 2.497 20 5 CEBDMN CC(C)[N@@H+](C)CCNc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000054134728 362513556 /nfs/dbraw/zinc/51/35/56/362513556.db2.gz HYCXFXSCDPQDTD-UHFFFAOYSA-N 0 1 281.312 2.045 20 5 CEBDMN CO[C@H](C)CN(C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000586787097 345021782 /nfs/dbraw/zinc/02/17/82/345021782.db2.gz ZIGUAFNYLKFABY-SECBINFHSA-N 0 1 279.296 2.203 20 5 CEBDMN O=[N+]([O-])c1ccsc1NCc1n[nH]c(C2CC2)n1 ZINC000590709681 345166574 /nfs/dbraw/zinc/16/65/74/345166574.db2.gz IWQGZKWHKFHXLA-UHFFFAOYSA-N 0 1 265.298 2.264 20 5 CEBDMN O=[N+]([O-])c1ccccc1OCCN1C[C@@H]2C[C@H]1CS2 ZINC000590972694 345208838 /nfs/dbraw/zinc/20/88/38/345208838.db2.gz GKUFECHNIJUTRH-QWRGUYRKSA-N 0 1 280.349 2.163 20 5 CEBDMN Cc1cc(N[C@H](CO)CCF)c2cc([N+](=O)[O-])ccc2n1 ZINC000593508538 345500507 /nfs/dbraw/zinc/50/05/07/345500507.db2.gz HOOBNVXGBVKUBG-JTQLQIEISA-N 0 1 293.298 2.006 20 5 CEBDMN CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@@H](CC)C(=O)[O-] ZINC000593287938 345462869 /nfs/dbraw/zinc/46/28/69/345462869.db2.gz AFCQOJXQAUPBGE-LBPRGKRZSA-N 0 1 296.323 2.289 20 5 CEBDMN Cc1cc([N+](=O)[O-])ccc1C[N@H+]1[C@H](C)CC[C@@H]1C(=O)[O-] ZINC000593331805 345467426 /nfs/dbraw/zinc/46/74/26/345467426.db2.gz CFMPODIVHXFOMN-ZWNOBZJWSA-N 0 1 278.308 2.341 20 5 CEBDMN O=[N+]([O-])c1ccc(CN[C@H]2C[C@@H](O)C23CCC3)c(F)c1 ZINC000594988011 345722527 /nfs/dbraw/zinc/72/25/27/345722527.db2.gz NOSUUQOSTKUYOL-QWHCGFSZSA-N 0 1 280.299 2.127 20 5 CEBDMN CCOCCN[C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595012490 345726848 /nfs/dbraw/zinc/72/68/48/345726848.db2.gz OVPGVNHIQWICAH-SNVBAGLBSA-N 0 1 268.313 2.291 20 5 CEBDMN Cc1noc(CN2C[C@H](C)[C@H](C)[C@H]2C)c1[N+](=O)[O-] ZINC000595553602 345811803 /nfs/dbraw/zinc/81/18/03/345811803.db2.gz ZIIZXBGHWMHURF-OYNCUSHFSA-N 0 1 253.302 2.368 20 5 CEBDMN CCN1CCN(Cc2ccc(F)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000595493495 345795208 /nfs/dbraw/zinc/79/52/08/345795208.db2.gz RUVIIZVUAKUXFK-LLVKDONJSA-N 0 1 281.331 2.260 20 5 CEBDMN C[C@@]12COC[C@@H]1CN(Cc1ccc([N+](=O)[O-])cc1F)C2 ZINC000595757378 345868204 /nfs/dbraw/zinc/86/82/04/345868204.db2.gz JENHJYGREWHHHS-SMDDNHRTSA-N 0 1 280.299 2.202 20 5 CEBDMN O=[N+]([O-])c1ccc(CNCCOCCF)c(Cl)c1 ZINC000596057400 345929665 /nfs/dbraw/zinc/92/96/65/345929665.db2.gz OXWNTGRNGRPBEX-UHFFFAOYSA-N 0 1 276.695 2.324 20 5 CEBDMN C[C@@H]1CCCCN1CCNc1c(Cl)cncc1[N+](=O)[O-] ZINC000596078067 345934880 /nfs/dbraw/zinc/93/48/80/345934880.db2.gz ZIWJLQNBVHZAKE-SNVBAGLBSA-N 0 1 298.774 2.351 20 5 CEBDMN Cc1noc(COc2cc(C)nc(C)c2)c1[N+](=O)[O-] ZINC000596259886 345983574 /nfs/dbraw/zinc/98/35/74/345983574.db2.gz CUJPIXUCHSUMCK-UHFFFAOYSA-N 0 1 263.253 2.482 20 5 CEBDMN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N(C)Cc1cnc[nH]1 ZINC000597866606 346242176 /nfs/dbraw/zinc/24/21/76/346242176.db2.gz ZWGNRHFBPSFJLT-UHFFFAOYSA-N 0 1 288.307 2.207 20 5 CEBDMN C[C@H]1CC(CNC(=O)c2n[nH]cc2[N+](=O)[O-])C[C@H](C)C1 ZINC000597980646 346262654 /nfs/dbraw/zinc/26/26/54/346262654.db2.gz UYBJNNWTAMOALF-RKDXNWHRSA-N 0 1 280.328 2.120 20 5 CEBDMN O=C(NC[C@@H]1CCC[C@@H]2C[C@@H]21)c1cc(O)cc([N+](=O)[O-])c1 ZINC000598209463 346306038 /nfs/dbraw/zinc/30/60/38/346306038.db2.gz UJEAKXSRQBCDQD-BFVZDQMLSA-N 0 1 290.319 2.466 20 5 CEBDMN C[C@@H]1CCN(Cc2ccc(F)cc2[N+](=O)[O-])C[C@H]1CO ZINC000598647568 346392489 /nfs/dbraw/zinc/39/24/89/346392489.db2.gz OUHWSWJOJDOWCW-PWSUYJOCSA-N 0 1 282.315 2.184 20 5 CEBDMN O=[N+]([O-])c1cc(CN[C@H]2CO[C@H](C3CC3)C2)cs1 ZINC000599006287 346445376 /nfs/dbraw/zinc/44/53/76/346445376.db2.gz GJLWVLMTMPUWNI-MNOVXSKESA-N 0 1 268.338 2.313 20 5 CEBDMN O=[N+]([O-])c1cc(F)ccc1CN1C[C@@H]2CCC[C@]2(CO)C1 ZINC000599638722 346551346 /nfs/dbraw/zinc/55/13/46/346551346.db2.gz PBRNXVMDHJNSRZ-SWLSCSKDSA-N 0 1 294.326 2.328 20 5 CEBDMN Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H](C(=O)[O-])[C@@H](C)C1 ZINC000600800247 346692396 /nfs/dbraw/zinc/69/23/96/346692396.db2.gz JYZMQCJMGPSUDR-FZMZJTMJSA-N 0 1 292.335 2.446 20 5 CEBDMN Cc1ccc(CN[C@@H](C)[C@H](O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000601150885 346770514 /nfs/dbraw/zinc/77/05/14/346770514.db2.gz HEYFDFQWFIMMEQ-KWQFWETISA-N 0 1 292.257 2.305 20 5 CEBDMN O=[N+]([O-])c1ccc2oc(CN[C@@H]3CC34CC4)nc2c1 ZINC000602696250 347152682 /nfs/dbraw/zinc/15/26/82/347152682.db2.gz XGDQMLTVNWYKIK-LLVKDONJSA-N 0 1 259.265 2.378 20 5 CEBDMN Cc1ncc([N+](=O)[O-])n1CCN(C)[C@@H](C)c1ccco1 ZINC000602769209 347190641 /nfs/dbraw/zinc/19/06/41/347190641.db2.gz OGJVWFHHNFPILV-JTQLQIEISA-N 0 1 278.312 2.386 20 5 CEBDMN COc1ccc([N+](=O)[O-])cc1CN1CC[C@@H](C)C[C@H]1CO ZINC000602930629 347250615 /nfs/dbraw/zinc/25/06/15/347250615.db2.gz ILCBKVWHWYMUOX-RISCZKNCSA-N 0 1 294.351 2.196 20 5 CEBDMN Cc1ncc([N+](=O)[O-])n1CCN1CCC(F)(F)C[C@@H]1C ZINC000602914798 347245297 /nfs/dbraw/zinc/24/52/97/347245297.db2.gz IQEKEQKOFJNTJM-VIFPVBQESA-N 0 1 288.298 2.219 20 5 CEBDMN Cc1cc(CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)n[nH]1 ZINC000609595299 347645834 /nfs/dbraw/zinc/64/58/34/347645834.db2.gz XZABPSGAYAWFEF-UHFFFAOYSA-N 0 1 294.698 2.210 20 5 CEBDMN Cc1cc(CNC(=O)Nc2cc([N+](=O)[O-])ccc2C)n[nH]1 ZINC000609600851 347646091 /nfs/dbraw/zinc/64/60/91/347646091.db2.gz RSSZVEFOVHSLPN-UHFFFAOYSA-N 0 1 289.295 2.256 20 5 CEBDMN CCN(CCn1c(C)ncc1[N+](=O)[O-])Cc1ccncc1 ZINC000610656805 347698892 /nfs/dbraw/zinc/69/88/92/347698892.db2.gz SMDAMIVSUCOMAT-UHFFFAOYSA-N 0 1 289.339 2.017 20 5 CEBDMN Cc1cnc(N2C[C@@H]3CCCCN3C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000610283969 347669695 /nfs/dbraw/zinc/66/96/95/347669695.db2.gz FDEIEGDIHZJRFF-STQMWFEESA-N 0 1 290.367 2.361 20 5 CEBDMN O=[N+]([O-])c1ccc(N2CCc3cn[nH]c3C2)c2ncccc12 ZINC000611298503 347764758 /nfs/dbraw/zinc/76/47/58/347764758.db2.gz OYGUTRLATUHTPK-UHFFFAOYSA-N 0 1 295.302 2.429 20 5 CEBDMN O=[N+]([O-])c1ccc(CN2CCc3cn[nH]c3C2)c(F)c1 ZINC000611008664 347732241 /nfs/dbraw/zinc/73/22/41/347732241.db2.gz GGBZPFKIXSERDN-UHFFFAOYSA-N 0 1 276.271 2.015 20 5 CEBDMN O=C(NCc1ccc(Cl)o1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000611553552 347793947 /nfs/dbraw/zinc/79/39/47/347793947.db2.gz QKGDAYXDPJSNOF-UHFFFAOYSA-N 0 1 296.666 2.477 20 5 CEBDMN C[C@@H](CNC(=O)c1cc(O)cc([N+](=O)[O-])c1)C1CC1 ZINC000611555404 347793982 /nfs/dbraw/zinc/79/39/82/347793982.db2.gz XRLLJHHMJIIXCW-QMMMGPOBSA-N 0 1 264.281 2.076 20 5 CEBDMN COC[C@@H]1CCCN1Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000611516434 347789240 /nfs/dbraw/zinc/78/92/40/347789240.db2.gz VNXHPZWSJRFLNR-LBPRGKRZSA-N 0 1 280.324 2.214 20 5 CEBDMN COCCOCCN(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130082242 365922387 /nfs/dbraw/zinc/92/23/87/365922387.db2.gz XNUYZWAPHZUKNM-UHFFFAOYSA-N 0 1 294.351 2.222 20 5 CEBDMN CCC[N@@H+](CC(=O)[O-])[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000086776143 179328142 /nfs/dbraw/zinc/32/81/42/179328142.db2.gz MGKFIKWZNXXSDA-SNVBAGLBSA-N 0 1 266.297 2.452 20 5 CEBDMN CCC1(C)CN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000291961390 198118144 /nfs/dbraw/zinc/11/81/44/198118144.db2.gz RHOYJRAHSMEABI-GFCCVEGCSA-N 0 1 294.351 2.066 20 5 CEBDMN Cc1c(CN2CC[C@H](O)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000292447990 198292920 /nfs/dbraw/zinc/29/29/20/198292920.db2.gz PDUNTWPDOIIZQL-GWCFXTLKSA-N 0 1 264.325 2.248 20 5 CEBDMN C[C@@H]1OCCN(CCCOc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000156162873 188245682 /nfs/dbraw/zinc/24/56/82/188245682.db2.gz ZYDFNDOPJBJTHO-STQMWFEESA-N 0 1 294.351 2.473 20 5 CEBDMN CC(C)C(=O)NCCN(C)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000157568149 188325325 /nfs/dbraw/zinc/32/53/25/188325325.db2.gz CMVUPDFJWQVEOP-LBPRGKRZSA-N 0 1 293.367 2.360 20 5 CEBDMN C[C@H]1CC(C)(C)CC[C@H]1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000132193658 366125391 /nfs/dbraw/zinc/12/53/91/366125391.db2.gz LMRWFFQZVYFEHJ-DTWKUNHWSA-N 0 1 280.328 2.263 20 5 CEBDMN CCCC[C@H]1CCC[C@@H]1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000132480033 366147625 /nfs/dbraw/zinc/14/76/25/366147625.db2.gz GWXMFJIGZKFHDK-UWVGGRQHSA-N 0 1 280.328 2.407 20 5 CEBDMN C[C@H]1CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C[C@H](C)N1 ZINC000132718253 366167012 /nfs/dbraw/zinc/16/70/12/366167012.db2.gz VJFPGEWDXHNPCP-IUCAKERBSA-N 0 1 297.742 2.071 20 5 CEBDMN Cc1ncc(CN(C)CCc2cccc([N+](=O)[O-])c2)cn1 ZINC000338357283 366313902 /nfs/dbraw/zinc/31/39/02/366313902.db2.gz YOEOKZMZETYHCH-UHFFFAOYSA-N 0 1 286.335 2.368 20 5 CEBDMN Cc1cc([N+](=O)[O-])ccc1CN1CCCO[C@@H](CF)C1 ZINC000414475480 236375391 /nfs/dbraw/zinc/37/53/91/236375391.db2.gz HHCHJQWCVSGHES-AWEZNQCLSA-N 0 1 282.315 2.464 20 5 CEBDMN O=[N+]([O-])c1ccc2[nH]c(NCc3n[nH]c(C4CC4)n3)nc2c1 ZINC000294900082 199238692 /nfs/dbraw/zinc/23/86/92/199238692.db2.gz HBVUZQOJRNFRLR-UHFFFAOYSA-N 0 1 299.294 2.079 20 5 CEBDMN CC[C@@H]1C[C@H]1CNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000452781591 283382753 /nfs/dbraw/zinc/38/27/53/283382753.db2.gz WXGHKVZNAYSFAS-SCZZXKLOSA-N 0 1 264.281 2.076 20 5 CEBDMN C[C@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)c1cncs1 ZINC000338899240 366563960 /nfs/dbraw/zinc/56/39/60/366563960.db2.gz GSAVXSNBZQDKQK-ZETCQYMHSA-N 0 1 293.304 2.248 20 5 CEBDMN C[C@H]1C[C@H]1c1ccc(CNCCn2cc([N+](=O)[O-])cn2)o1 ZINC000151257933 366633755 /nfs/dbraw/zinc/63/37/55/366633755.db2.gz IYALZCBCRBRYEK-GXFFZTMASA-N 0 1 290.323 2.298 20 5 CEBDMN CC(C)N1CC[C@H](N[C@H](C)c2ccc([N+](=O)[O-])cc2)C1=O ZINC000178656544 189135179 /nfs/dbraw/zinc/13/51/79/189135179.db2.gz ZGMLIVUYNPDDRV-RISCZKNCSA-N 0 1 291.351 2.255 20 5 CEBDMN Cc1ccc(NC(=O)N2CCCN(C)CC2)cc1[N+](=O)[O-] ZINC000180587461 189263637 /nfs/dbraw/zinc/26/36/37/189263637.db2.gz LSSNFRPAGBVLSL-UHFFFAOYSA-N 0 1 292.339 2.073 20 5 CEBDMN CCOCCN(C)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000181488521 189297977 /nfs/dbraw/zinc/29/79/77/189297977.db2.gz WXTAIJFPDDGCAS-UHFFFAOYSA-N 0 1 252.314 2.372 20 5 CEBDMN CCn1c(=O)[nH]nc1SCc1csc([N+](=O)[O-])c1 ZINC000339974014 366733807 /nfs/dbraw/zinc/73/38/07/366733807.db2.gz SLKMFFDZIOLSDS-UHFFFAOYSA-N 0 1 286.338 2.266 20 5 CEBDMN CSc1n[nH]c(NC(=O)c2cc([N+](=O)[O-])c(C)s2)n1 ZINC000340266112 366822736 /nfs/dbraw/zinc/82/27/36/366822736.db2.gz JAOMAWZTRAPQAL-UHFFFAOYSA-N 0 1 299.337 2.057 20 5 CEBDMN C[C@H](c1ccccc1[N+](=O)[O-])N(C)CC1(CO)CC1 ZINC000275380426 193015064 /nfs/dbraw/zinc/01/50/64/193015064.db2.gz AYNDSYZRWIJLMM-LLVKDONJSA-N 0 1 264.325 2.360 20 5 CEBDMN C[C@@H]1[C@@H](C)N(c2ccc(F)cc2[N+](=O)[O-])CCN1C ZINC000356793111 370795790 /nfs/dbraw/zinc/79/57/90/370795790.db2.gz KBLCBLQAVPQFMF-NXEZZACHSA-N 0 1 267.304 2.263 20 5 CEBDMN Cc1cccc([C@@H](C)NC(=O)c2n[nH]cc2[N+](=O)[O-])c1C ZINC000160087963 366971252 /nfs/dbraw/zinc/97/12/52/366971252.db2.gz BZWXLAJLKQRQAK-SNVBAGLBSA-N 0 1 288.307 2.426 20 5 CEBDMN CCc1[nH]nc(C(=O)N(C)Cc2ccoc2C)c1[N+](=O)[O-] ZINC000171804264 367618447 /nfs/dbraw/zinc/61/84/47/367618447.db2.gz KQMKJJHRIWELHM-UHFFFAOYSA-N 0 1 292.295 2.054 20 5 CEBDMN C[C@H](NC[C@@H](O)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000173345136 367898793 /nfs/dbraw/zinc/89/87/93/367898793.db2.gz CJFXJWQURPMQSZ-OIBJUYFYSA-N 0 1 278.230 2.169 20 5 CEBDMN CN(CCn1ccc([N+](=O)[O-])n1)Cc1cccc(F)c1 ZINC000176191679 368209884 /nfs/dbraw/zinc/20/98/84/368209884.db2.gz NLKMVVWOQPRNRP-UHFFFAOYSA-N 0 1 278.287 2.062 20 5 CEBDMN CCCc1[nH]nc(C(=O)N(C)Cc2ccoc2)c1[N+](=O)[O-] ZINC000345903672 368476489 /nfs/dbraw/zinc/47/64/89/368476489.db2.gz LLGMKFUQNYZQHH-UHFFFAOYSA-N 0 1 292.295 2.136 20 5 CEBDMN COCC(C)(C)NCc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000184198451 368679502 /nfs/dbraw/zinc/67/95/02/368679502.db2.gz WOIVZAWNABRESX-UHFFFAOYSA-N 0 1 286.303 2.257 20 5 CEBDMN C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000330631789 203061588 /nfs/dbraw/zinc/06/15/88/203061588.db2.gz GNYSWTYGVFQFRH-AOOOYVTPSA-N 0 1 293.323 2.112 20 5 CEBDMN C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000330631789 203061590 /nfs/dbraw/zinc/06/15/90/203061590.db2.gz GNYSWTYGVFQFRH-AOOOYVTPSA-N 0 1 293.323 2.112 20 5 CEBDMN O=[N+]([O-])c1ccc(-c2noc([C@H]3C[C@@H]3c3nc[nH]n3)n2)cc1 ZINC000349887050 369438314 /nfs/dbraw/zinc/43/83/14/369438314.db2.gz FNIDGQMKGDTVTP-UWVGGRQHSA-N 0 1 298.262 2.034 20 5 CEBDMN O=[N+]([O-])c1cccc(-c2noc([C@@H]3C[C@H]3c3nc[nH]n3)n2)c1 ZINC000349902021 369444151 /nfs/dbraw/zinc/44/41/51/369444151.db2.gz HZULPDWMWGGTPM-NXEZZACHSA-N 0 1 298.262 2.034 20 5 CEBDMN CC[C@]1(CO)CCC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000189657366 369554531 /nfs/dbraw/zinc/55/45/31/369554531.db2.gz IZCONUXESURAJT-OAHLLOKOSA-N 0 1 294.351 2.211 20 5 CEBDMN CC[N@@H+](CCNc1nccc(C)c1[N+](=O)[O-])C1CC1 ZINC000227116070 370361389 /nfs/dbraw/zinc/36/13/89/370361389.db2.gz VKJQBWHLDPALBS-UHFFFAOYSA-N 0 1 264.329 2.194 20 5 CEBDMN Cc1c(CN[C@H](C)c2ccnn2C)cccc1[N+](=O)[O-] ZINC000235190633 370557741 /nfs/dbraw/zinc/55/77/41/370557741.db2.gz ZKHNHRSSISRLPU-LLVKDONJSA-N 0 1 274.324 2.488 20 5 CEBDMN C[C@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)[C@@H]1C(=O)[O-] ZINC000235670091 370572042 /nfs/dbraw/zinc/57/20/42/370572042.db2.gz PJBSTHPKBGDIDV-GWCFXTLKSA-N 0 1 278.308 2.280 20 5 CEBDMN Cc1cc(C)c([N+](=O)[O-])c(Nc2ccn(CC(F)F)n2)n1 ZINC000359095864 371335435 /nfs/dbraw/zinc/33/54/35/371335435.db2.gz KJKVJHGVFCFGQY-UHFFFAOYSA-N 0 1 297.265 2.234 20 5 CEBDMN CCC[C@H]1CNCCN1C(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000359222899 371382821 /nfs/dbraw/zinc/38/28/21/371382821.db2.gz KKSKPGHWPDNQRW-ZDUSSCGKSA-N 0 1 291.351 2.117 20 5 CEBDMN C[C@H](C(=O)[O-])[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000262458160 371864533 /nfs/dbraw/zinc/86/45/33/371864533.db2.gz JAZYFMDOUKIXKO-SECBINFHSA-N 0 1 264.281 2.032 20 5 CEBDMN O=[N+]([O-])c1ccccc1CCNc1nc(C2CC2)ns1 ZINC000344076768 217040458 /nfs/dbraw/zinc/04/04/58/217040458.db2.gz MZILBNJOYGGUQF-UHFFFAOYSA-N 0 1 290.348 2.400 20 5 CEBDMN COCc1cc([N+](=O)[O-])ccc1N1CCN(C(C)C)CC1 ZINC000266064824 372034640 /nfs/dbraw/zinc/03/46/40/372034640.db2.gz ZSLNCGFAFORURZ-UHFFFAOYSA-N 0 1 293.367 2.272 20 5 CEBDMN Cc1c([C@@H](C)NC[C@H](O)C(F)(F)F)cccc1[N+](=O)[O-] ZINC000268880950 372269846 /nfs/dbraw/zinc/26/98/46/372269846.db2.gz XPHLTNFRNAXWDG-KCJUWKMLSA-N 0 1 292.257 2.477 20 5 CEBDMN CC1CCN(CCn2cc([N+](=O)[O-])cc(Cl)c2=O)CC1 ZINC000269163881 372361895 /nfs/dbraw/zinc/36/18/95/372361895.db2.gz ZFMGNTAQOSVQID-UHFFFAOYSA-N 0 1 299.758 2.142 20 5 CEBDMN CC[C@H](C)N(OC)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000269195959 372373454 /nfs/dbraw/zinc/37/34/54/372373454.db2.gz KWECIUZMPNNEIY-QMMMGPOBSA-N 0 1 292.295 2.273 20 5 CEBDMN Cc1[nH]nc(C(=O)N2CC[C@H](C)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000269856632 372580090 /nfs/dbraw/zinc/58/00/90/372580090.db2.gz YWUNHKSALXUTJX-DTWKUNHWSA-N 0 1 280.328 2.135 20 5 CEBDMN O=[N+]([O-])c1ccn(C2CCN(Cc3ccncc3)CC2)n1 ZINC000365520795 372881252 /nfs/dbraw/zinc/88/12/52/372881252.db2.gz ZQVRUYDOOUIWNZ-UHFFFAOYSA-N 0 1 287.323 2.023 20 5 CEBDMN C[C@H]1CCOCCN1CCOc1ccccc1[N+](=O)[O-] ZINC000367655509 373178343 /nfs/dbraw/zinc/17/83/43/373178343.db2.gz DCQNIERNYJXNRD-LBPRGKRZSA-N 0 1 280.324 2.084 20 5 CEBDMN Cc1[nH]nc(C(=O)N2CC3(C2)CCCCC3)c1[N+](=O)[O-] ZINC000272778994 373654075 /nfs/dbraw/zinc/65/40/75/373654075.db2.gz UTFXEQRAUSUHOJ-UHFFFAOYSA-N 0 1 278.312 2.033 20 5 CEBDMN CC[C@H]1CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000272643660 373597914 /nfs/dbraw/zinc/59/79/14/373597914.db2.gz FBGAVNVVHOPANY-VIFPVBQESA-N 0 1 264.281 2.173 20 5 CEBDMN Cc1ccc([C@@H]2CCCCN2C(=O)[C@@H]2CC2[N+](=O)[O-])o1 ZINC000371766441 373973379 /nfs/dbraw/zinc/97/33/79/373973379.db2.gz QGUGVPFKPQTPOH-WOPDTQHZSA-N 0 1 278.308 2.307 20 5 CEBDMN O=C1C[C@H]2CC[C@@H](C1)N2CCOc1cccc([N+](=O)[O-])c1 ZINC000275305468 374212068 /nfs/dbraw/zinc/21/20/68/374212068.db2.gz QKXJHKFKCBJALN-TXEJJXNPSA-N 0 1 290.319 2.170 20 5 CEBDMN CSC1(CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)CCC1 ZINC000280098919 375089735 /nfs/dbraw/zinc/08/97/35/375089735.db2.gz MLPUZROUFLKSFK-UHFFFAOYSA-N 0 1 296.348 2.316 20 5 CEBDMN C[C@@H]1C[C@@H](N(C)c2ncc([N+](=O)[O-])cc2F)CC[N@H+]1C ZINC000408464802 375488449 /nfs/dbraw/zinc/48/84/49/375488449.db2.gz FTUBZRASCVIVHY-ZJUUUORDSA-N 0 1 282.319 2.048 20 5 CEBDMN Cc1c(C[N@H+](C)[C@@H]2CCC[C@H]2O)cccc1[N+](=O)[O-] ZINC000286761606 376056902 /nfs/dbraw/zinc/05/69/02/376056902.db2.gz ZJHCDPTWEYZSOE-ZIAGYGMSSA-N 0 1 264.325 2.248 20 5 CEBDMN CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@H](C)C(=O)[O-] ZINC000262645046 190059487 /nfs/dbraw/zinc/05/94/87/190059487.db2.gz JURNSDONSKKYST-SNVBAGLBSA-N 0 1 296.323 2.287 20 5 CEBDMN CC[C@@H]1CO[C@@H](C)CN1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000330417251 377122873 /nfs/dbraw/zinc/12/28/73/377122873.db2.gz DPUOXBGNJHPXTA-CMPLNLGQSA-N 0 1 280.324 2.300 20 5 CEBDMN CC[C@@]1(C)CN(Cc2cc(O)ccc2[N+](=O)[O-])CCO1 ZINC000330463426 377147266 /nfs/dbraw/zinc/14/72/66/377147266.db2.gz ZLBIBJSYJUEKOF-AWEZNQCLSA-N 0 1 280.324 2.301 20 5 CEBDMN Cn1nc(Nc2ncc([N+](=O)[O-])s2)cc1C1CC1 ZINC000291263529 377148586 /nfs/dbraw/zinc/14/85/86/377148586.db2.gz ZIKCTMXKXHBURP-UHFFFAOYSA-N 0 1 265.298 2.406 20 5 CEBDMN C[C@@H]1CC[C@H](C(N)=O)C[N@H+]1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000330566918 377188900 /nfs/dbraw/zinc/18/89/00/377188900.db2.gz AWDNRHYBQIIYAD-ZJUUUORDSA-N 0 1 293.323 2.436 20 5 CEBDMN CCOc1cc(CN2CC[C@H](O)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000331182687 377317539 /nfs/dbraw/zinc/31/75/39/377317539.db2.gz RUQYIRVKJXFUSB-FZMZJTMJSA-N 0 1 294.351 2.196 20 5 CEBDMN CCOc1cc(CN2CCN(C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000331191785 377321764 /nfs/dbraw/zinc/32/17/64/377321764.db2.gz WGHNLASNTQNGBJ-GFCCVEGCSA-N 0 1 293.367 2.129 20 5 CEBDMN C[C@@H]1CCCC[C@H]1N(C)Cc1c([N+](=O)[O-])ncn1C ZINC000331075345 377270527 /nfs/dbraw/zinc/27/05/27/377270527.db2.gz UWBQWKPJSGFJIV-GHMZBOCLSA-N 0 1 266.345 2.339 20 5 CEBDMN Cc1noc([C@@H]2CCN(Cc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000332078224 377511510 /nfs/dbraw/zinc/51/15/10/377511510.db2.gz HEUIJIZDGMHPGA-GFCCVEGCSA-N 0 1 288.307 2.276 20 5 CEBDMN Cc1[nH]nc(C(=O)N2CC[C@H](C(C)(C)C)C2)c1[N+](=O)[O-] ZINC000332724582 377682679 /nfs/dbraw/zinc/68/26/79/377682679.db2.gz SDFNRCAHEDGKPB-VIFPVBQESA-N 0 1 280.328 2.135 20 5 CEBDMN Cc1cc(N2CCCC[C@H]2c2nnc[nH]2)ncc1[N+](=O)[O-] ZINC000295062185 378038933 /nfs/dbraw/zinc/03/89/33/378038933.db2.gz YVYWMTTWBYYSRT-JTQLQIEISA-N 0 1 288.311 2.148 20 5 CEBDMN Cc1ccc([C@H](O)CNCc2ccccc2[N+](=O)[O-])o1 ZINC000266082814 190229089 /nfs/dbraw/zinc/22/90/89/190229089.db2.gz YIXMEHJQSPIZRN-CYBMUJFWSA-N 0 1 276.292 2.319 20 5 CEBDMN CC[C@@H](C)N1CCN(c2ccc([N+](=O)[O-])c(N)c2F)CC1 ZINC000296047140 378402537 /nfs/dbraw/zinc/40/25/37/378402537.db2.gz QFDXMBVJJAKDEX-SNVBAGLBSA-N 0 1 296.346 2.237 20 5 CEBDMN C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC2(CC1)OCCO2 ZINC000266553880 190266518 /nfs/dbraw/zinc/26/65/18/190266518.db2.gz UZAPIHWVKIRNDX-LBPRGKRZSA-N 0 1 292.335 2.495 20 5 CEBDMN CCOc1ccc([N+](=O)[O-])cc1CN(C)CC(C)(C)O ZINC000267068618 190301000 /nfs/dbraw/zinc/30/10/00/190301000.db2.gz VHACSTQAROMRFA-UHFFFAOYSA-N 0 1 282.340 2.196 20 5 CEBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1C2CCC1CC2 ZINC000541873802 380283117 /nfs/dbraw/zinc/28/31/17/380283117.db2.gz YAJZHHAEPUQKRO-UHFFFAOYSA-N 0 1 262.265 2.067 20 5 CEBDMN CCc1[nH]nc(C(=O)N(C)[C@H](C)C(C)(C)C)c1[N+](=O)[O-] ZINC000555072940 380807258 /nfs/dbraw/zinc/80/72/58/380807258.db2.gz GIMSKRCXMCCACA-MRVPVSSYSA-N 0 1 282.344 2.387 20 5 CEBDMN O=[N+]([O-])c1ccc(O)cc1CN1CCO[C@@H]2CCC[C@H]21 ZINC000338926036 285136702 /nfs/dbraw/zinc/13/67/02/285136702.db2.gz ODMZMQWZONRLEM-ZIAGYGMSSA-N 0 1 278.308 2.054 20 5 CEBDMN C[C@H]1C[C@@H](CO)CCN1Cc1ccccc1[N+](=O)[O-] ZINC000288564890 197114113 /nfs/dbraw/zinc/11/41/13/197114113.db2.gz AUORZXBMOURGBW-RYUDHWBXSA-N 0 1 264.325 2.188 20 5 CEBDMN C[C@@H](NCc1ccc([N+](=O)[O-])c(F)c1)c1cn[nH]c1 ZINC000283050255 195779572 /nfs/dbraw/zinc/77/95/72/195779572.db2.gz IWMAXBXPUSVPJI-MRVPVSSYSA-N 0 1 264.260 2.308 20 5 CEBDMN C[C@@H](NCC1(C)OCCCO1)c1cccc([N+](=O)[O-])c1 ZINC000190663140 130131660 /nfs/dbraw/zinc/13/16/60/130131660.db2.gz ULDCPGVYTAXPKF-LLVKDONJSA-N 0 1 280.324 2.399 20 5 CEBDMN Cc1cc(C[C@H](C)Nc2ncc([N+](=O)[O-])cc2F)[nH]n1 ZINC000413207728 394504835 /nfs/dbraw/zinc/50/48/35/394504835.db2.gz ZMTMISOUVCMIPN-ZETCQYMHSA-N 0 1 279.275 2.204 20 5 CEBDMN Cc1sc(C(=O)NC[C@@H](C)N2CCCC2)cc1[N+](=O)[O-] ZINC000057308208 394562907 /nfs/dbraw/zinc/56/29/07/394562907.db2.gz KQNGZJMDPNXWPC-SECBINFHSA-N 0 1 297.380 2.179 20 5 CEBDMN O=C([O-])C[C@@H]1CCC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000048756064 394527430 /nfs/dbraw/zinc/52/74/30/394527430.db2.gz GOWYVRUOWLZDSB-NSHDSACASA-N 0 1 264.281 2.034 20 5 CEBDMN CC(C)C[C@@H]1OCCC[C@H]1NCc1c([N+](=O)[O-])ncn1C ZINC000331133934 394627363 /nfs/dbraw/zinc/62/73/63/394627363.db2.gz RHNSPNWJRPTUNS-YPMHNXCESA-N 0 1 296.371 2.012 20 5 CEBDMN Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@@H](N3CC=CC3)C2)n1 ZINC000359101604 394741337 /nfs/dbraw/zinc/74/13/37/394741337.db2.gz RDVSAHUWLIFGQH-CYBMUJFWSA-N 0 1 288.351 2.057 20 5 CEBDMN CC(C)c1[nH]nc(C(=O)N2CCS[C@@H](C)C2)c1[N+](=O)[O-] ZINC000269460182 394717807 /nfs/dbraw/zinc/71/78/07/394717807.db2.gz SGJCQWNTLNENQF-QMMMGPOBSA-N 0 1 298.368 2.019 20 5 CEBDMN Cc1cc(C2CCN(c3ccncc3[N+](=O)[O-])CC2)[nH]n1 ZINC000361041099 394813119 /nfs/dbraw/zinc/81/31/19/394813119.db2.gz CGCUYXPPYJORRY-UHFFFAOYSA-N 0 1 287.323 2.405 20 5 CEBDMN CS[C@H]1CCCCN(Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000370879848 395020535 /nfs/dbraw/zinc/02/05/35/395020535.db2.gz ZZYZBEOQPQKCHM-JTQLQIEISA-N 0 1 284.385 2.046 20 5 CEBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CC2(C1)CCCC2 ZINC000428308356 395144643 /nfs/dbraw/zinc/14/46/43/395144643.db2.gz HQPVKCXEKARNFZ-UHFFFAOYSA-N 0 1 276.292 2.317 20 5 CEBDMN CC(C)c1[nH]nc(C(=O)N2CCCC3(CC3)C2)c1[N+](=O)[O-] ZINC000408305208 395296280 /nfs/dbraw/zinc/29/62/80/395296280.db2.gz HZRJMZUDULXWNP-UHFFFAOYSA-N 0 1 292.339 2.458 20 5 CEBDMN C[C@H]1CN(C)CCN1c1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000408431756 395299759 /nfs/dbraw/zinc/29/97/59/395299759.db2.gz BNFXALZYTFOGLO-NSHDSACASA-N 0 1 286.335 2.283 20 5 CEBDMN CC(C)c1[nH]nc(C(=O)N(C)Cc2ccc[nH]2)c1[N+](=O)[O-] ZINC000434018839 395270661 /nfs/dbraw/zinc/27/06/61/395270661.db2.gz SPXBEHNPUMDTKP-UHFFFAOYSA-N 0 1 291.311 2.042 20 5 CEBDMN O=[N+]([O-])c1ccc2ccnc(N3CC[N@H+]4CC[C@H]3C4)c2c1 ZINC000599084441 400616612 /nfs/dbraw/zinc/61/66/12/400616612.db2.gz XOXSYXDYEAMHEQ-ZDUSSCGKSA-N 0 1 284.319 2.037 20 5 CEBDMN C[C@@]1(NCc2csc([N+](=O)[O-])c2)CCCOC1 ZINC000221334869 153312773 /nfs/dbraw/zinc/31/27/73/153312773.db2.gz HRTVQOBWKQRAEA-LLVKDONJSA-N 0 1 256.327 2.315 20 5 CEBDMN O=C([O-])c1coc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)c1 ZINC000228166542 153358118 /nfs/dbraw/zinc/35/81/18/153358118.db2.gz TXDZARKNYJZXDX-UHFFFAOYSA-N 0 1 276.248 2.176 20 5 CEBDMN CC(C)NC(=O)[C@@H](C)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000228929998 153374343 /nfs/dbraw/zinc/37/43/43/153374343.db2.gz OGXMTGLHASCVIT-WDEREUQCSA-N 0 1 279.340 2.159 20 5 CEBDMN C[C@H]1OCC[C@]1(C)NCc1csc([N+](=O)[O-])c1 ZINC000230155404 153387218 /nfs/dbraw/zinc/38/72/18/153387218.db2.gz HGVRSEHTKOCQJY-KCJUWKMLSA-N 0 1 256.327 2.313 20 5 CEBDMN CCN1CCN(Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000351858317 154319873 /nfs/dbraw/zinc/31/98/73/154319873.db2.gz VQOBTGORFIOAMC-UHFFFAOYSA-N 0 1 285.294 2.011 20 5 CEBDMN O=[N+]([O-])c1ccc(CN2CC[C@H]3OCC[C@H]3C2)cc1F ZINC000366995766 156112115 /nfs/dbraw/zinc/11/21/15/156112115.db2.gz LTJWJOUWUGCHHC-SMDDNHRTSA-N 0 1 280.299 2.345 20 5 CEBDMN Cc1cc([C@@H]2CCCN(c3ncc([N+](=O)[O-])s3)C2)[nH]n1 ZINC000375592015 157112245 /nfs/dbraw/zinc/11/22/45/157112245.db2.gz QARIGWVZOHWBIY-SECBINFHSA-N 0 1 293.352 2.467 20 5 CEBDMN CCNC(=O)[C@H](C)N[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000540822406 298268259 /nfs/dbraw/zinc/26/82/59/298268259.db2.gz HJHXRNLNYCPQMY-MNOVXSKESA-N 0 1 279.340 2.078 20 5 CEBDMN CCN(CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C(C)C ZINC000171056737 162378412 /nfs/dbraw/zinc/37/84/12/162378412.db2.gz GMYBRCUTHNJRCX-UHFFFAOYSA-N 0 1 291.351 2.214 20 5 CEBDMN CCOc1cc(CN(C)C[C@@H](C)OC)ccc1[N+](=O)[O-] ZINC000285565991 196329013 /nfs/dbraw/zinc/32/90/13/196329013.db2.gz HJDAFJZTOOHKAP-LLVKDONJSA-N 0 1 282.340 2.460 20 5 CEBDMN O=C(CNCc1ccc([N+](=O)[O-])cc1)NC1CCCCC1 ZINC000037668620 173610511 /nfs/dbraw/zinc/61/05/11/173610511.db2.gz KUNKJKCXPWTHIE-UHFFFAOYSA-N 0 1 291.351 2.133 20 5 CEBDMN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cccnc1 ZINC000077165948 177229598 /nfs/dbraw/zinc/22/95/98/177229598.db2.gz MAQJPYCMQNHFSH-UHFFFAOYSA-N 0 1 293.304 2.099 20 5 CEBDMN CC(=O)NCC[N@H+](C)C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000566796759 299022670 /nfs/dbraw/zinc/02/26/70/299022670.db2.gz IIWXHJLSLHIFOB-FMIVXFBMSA-N 0 1 291.351 2.066 20 5 CEBDMN CCc1[nH]nc(C(=O)N2C[C@@H](C)CC[C@H]2C)c1[N+](=O)[O-] ZINC000192664448 262208195 /nfs/dbraw/zinc/20/81/95/262208195.db2.gz HIOUHRNRRDNZBA-DTWKUNHWSA-N 0 1 280.328 2.141 20 5 CEBDMN CO[C@H](C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1)C1CC1 ZINC000425418548 264295996 /nfs/dbraw/zinc/29/59/96/264295996.db2.gz IYLJZRYCQHDEDF-OAHLLOKOSA-N 0 1 276.336 2.378 20 5 CEBDMN CO[C@H](CN1CCc2ccc([N+](=O)[O-])cc2C1)C1CC1 ZINC000425418548 264295998 /nfs/dbraw/zinc/29/59/98/264295998.db2.gz IYLJZRYCQHDEDF-OAHLLOKOSA-N 0 1 276.336 2.378 20 5 CEBDMN CCc1nc(CNc2c(C)cccc2[N+](=O)[O-])n[nH]1 ZINC000392505213 270340513 /nfs/dbraw/zinc/34/05/13/270340513.db2.gz SBDIDXRCPXGXGF-UHFFFAOYSA-N 0 1 261.285 2.196 20 5 CEBDMN O=[N+]([O-])c1ccc(N2CCN(C3CC3)CC2)c2ncccc12 ZINC000301108680 275036156 /nfs/dbraw/zinc/03/61/56/275036156.db2.gz QSDYJPBJPLCNKB-UHFFFAOYSA-N 0 1 298.346 2.427 20 5 CEBDMN C[C@@H]1C[C@H]1CN1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000356530776 279006619 /nfs/dbraw/zinc/00/66/19/279006619.db2.gz QTNWNWJJVZPFPY-MNOVXSKESA-N 0 1 262.309 2.445 20 5 CEBDMN O=[N+]([O-])c1ccccc1/C=C/CN1CCC(CO)CC1 ZINC000127053271 279851115 /nfs/dbraw/zinc/85/11/15/279851115.db2.gz GRRCAEOHIDLMKY-HWKANZROSA-N 0 1 276.336 2.312 20 5 CEBDMN CCN(C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)C(C)C ZINC000194811904 280195784 /nfs/dbraw/zinc/19/57/84/280195784.db2.gz ASMQSKVJMJCUCV-UHFFFAOYSA-N 0 1 276.296 2.342 20 5 CEBDMN Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@H](N3CC=CC3)C2)n1 ZINC000359101606 280399211 /nfs/dbraw/zinc/39/92/11/280399211.db2.gz RDVSAHUWLIFGQH-ZDUSSCGKSA-N 0 1 288.351 2.057 20 5 CEBDMN CC[C@@H]1OCC[C@H]1NCc1ccc([N+](=O)[O-])cc1F ZINC000459741653 290223831 /nfs/dbraw/zinc/22/38/31/290223831.db2.gz NAVSEEKSBAMEOC-OLZOCXBDSA-N 0 1 268.288 2.391 20 5 CEBDMN Cc1cc(C)c([N+](=O)[O-])c(N2CCN(C)[C@H](C(C)C)C2)n1 ZINC000487080534 290331063 /nfs/dbraw/zinc/33/10/63/290331063.db2.gz STIFYZPAXBBIGI-ZDUSSCGKSA-N 0 1 292.383 2.383 20 5 CEBDMN CC(C)N(CCn1cc([N+](=O)[O-])cn1)Cc1ccccn1 ZINC000531103712 298094021 /nfs/dbraw/zinc/09/40/21/298094021.db2.gz GZGOAAFBAIIMGV-UHFFFAOYSA-N 0 1 289.339 2.097 20 5 CEBDMN O=[N+]([O-])c1ccc(N2CCN(CCCCCF)CC2)cn1 ZINC000551382692 298456719 /nfs/dbraw/zinc/45/67/19/298456719.db2.gz OEGHNQQFMGOLJZ-UHFFFAOYSA-N 0 1 296.346 2.252 20 5 CEBDMN CC(C)(C)N1CC[C@H](NCc2cccc([N+](=O)[O-])c2)C1=O ZINC000566094998 298943950 /nfs/dbraw/zinc/94/39/50/298943950.db2.gz WDXRLPITGLYYPX-ZDUSSCGKSA-N 0 1 291.351 2.084 20 5 CEBDMN COc1cccc([N+](=O)[O-])c1N1CC[C@H](N2CC=CC2)C1 ZINC000516193071 313085191 /nfs/dbraw/zinc/08/51/91/313085191.db2.gz FWLSCOMIIDAIQB-LBPRGKRZSA-N 0 1 289.335 2.054 20 5 CEBDMN Cc1ccc(CN(C)CCc2ccccc2[N+](=O)[O-])nn1 ZINC000414447147 533873476 /nfs/dbraw/zinc/87/34/76/533873476.db2.gz ZGBSIOOMWDUNIJ-UHFFFAOYSA-N 0 1 286.335 2.368 20 5 CEBDMN CCCN(C)CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000049480559 521480216 /nfs/dbraw/zinc/48/02/16/521480216.db2.gz XQZYTQMUDIXMOI-UHFFFAOYSA-N 0 1 265.313 2.184 20 5 CEBDMN O=C([O-])CC1CC[NH+](Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000738564596 574477159 /nfs/dbraw/zinc/47/71/59/574477159.db2.gz XYVPOMLMOOYQFR-UHFFFAOYSA-N 0 1 296.298 2.421 20 5 CEBDMN Cc1[nH]nc(C(=O)N2CCC3(CCCC3)C2)c1[N+](=O)[O-] ZINC000742878966 575036589 /nfs/dbraw/zinc/03/65/89/575036589.db2.gz SALSGKCCATZWNZ-UHFFFAOYSA-N 0 1 278.312 2.033 20 5 CEBDMN C[C@H](C(=O)[O-])[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000054067781 597720439 /nfs/dbraw/zinc/72/04/39/597720439.db2.gz FEHKQIDIHZSZEM-SSDOTTSWSA-N 0 1 272.688 2.153 20 5 CEBDMN C[C@@H]1C[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C[C@H]1C(=O)[O-] ZINC000833618287 604664958 /nfs/dbraw/zinc/66/49/58/604664958.db2.gz ABRSJAUEIBSJBU-DMBZQDCGSA-N 0 1 290.319 2.261 20 5 CEBDMN C[C@H]1C[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C[C@@H]1C(=O)[O-] ZINC000828457386 604789905 /nfs/dbraw/zinc/78/99/05/604789905.db2.gz TXTDLQLSDCJURV-WPRPVWTQSA-N 0 1 298.726 2.401 20 5 CEBDMN CC[C@@H]1c2ccccc2CN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000890614656 622698716 /nfs/dbraw/zinc/69/87/16/622698716.db2.gz RNPLNPNOWYRIEL-JHJVBQTASA-N 0 1 260.293 2.145 20 5 CEBDMN CC(C)N1CCN(c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC1 ZINC000891724140 623928612 /nfs/dbraw/zinc/92/86/12/623928612.db2.gz IBSMRQQGNXONAD-UHFFFAOYSA-N 0 1 294.311 2.033 20 5 CEBDMN C[C@@H]1CCN(Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000725780483 624779918 /nfs/dbraw/zinc/77/99/18/624779918.db2.gz ZAYRCPGPGCXZKP-LLVKDONJSA-N 0 1 287.323 2.153 20 5 CEBDMN C[C@@H]1Cc2cc(F)ccc2[C@@H](C)N1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840408009 634597262 /nfs/dbraw/zinc/59/72/62/634597262.db2.gz AHJPUZIWAIMKDF-HFOBELJZSA-N 0 1 292.310 2.325 20 5 CEBDMN CC(=O)OC[C@@H](C)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000893278590 628231767 /nfs/dbraw/zinc/23/17/67/628231767.db2.gz HQWZAVBGFOKFCK-NXEZZACHSA-N 0 1 266.297 2.197 20 5 CEBDMN COc1c(O)ccc(CN[C@H]2CSC2(C)C)c1[N+](=O)[O-] ZINC000894282130 629302185 /nfs/dbraw/zinc/30/21/85/629302185.db2.gz YNJWKWOARSCENT-JTQLQIEISA-N 0 1 298.364 2.293 20 5 CEBDMN CCN(CC(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000928249079 629343735 /nfs/dbraw/zinc/34/37/35/629343735.db2.gz OXFRCGJKFXRRBJ-LLVKDONJSA-N 0 1 291.351 2.256 20 5 CEBDMN COC(=O)[C@H]1[C@@H]2CN([C@H](C)c3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000794951328 629371746 /nfs/dbraw/zinc/37/17/46/629371746.db2.gz IGJKCKGUTVZVRL-QQUHWDOBSA-N 0 1 290.319 2.007 20 5 CEBDMN CC1(C)CC[C@H](COC(=O)c2ccc([N+](=O)[O-])[nH]2)O1 ZINC000792028086 629471305 /nfs/dbraw/zinc/47/13/05/629471305.db2.gz AZIGSLDZJUOSMS-MRVPVSSYSA-N 0 1 268.269 2.037 20 5 CEBDMN CO[C@H]1C[C@@H](N(C)Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000795676201 629651470 /nfs/dbraw/zinc/65/14/70/629651470.db2.gz YQTWLHJCRFOCSX-BETUJISGSA-N 0 1 290.323 2.011 20 5 CEBDMN O=[N+]([O-])c1cc(F)c(CN[C@H](CCO)C2CC2)c(F)c1 ZINC000795994165 629732125 /nfs/dbraw/zinc/73/21/25/629732125.db2.gz PTEJQXKFQVALOZ-CYBMUJFWSA-N 0 1 286.278 2.124 20 5 CEBDMN Cc1cc([N+](=O)[O-])cnc1N1CCN(C)[C@@H](C(C)(C)C)C1 ZINC000895100335 629896421 /nfs/dbraw/zinc/89/64/21/629896421.db2.gz AJIBOXJTRCXOAK-CYBMUJFWSA-N 0 1 292.383 2.465 20 5 CEBDMN CN1CC[C@H]1CNc1ccc([N+](=O)[O-])cc1OC(F)F ZINC000895769700 630338021 /nfs/dbraw/zinc/33/80/21/630338021.db2.gz GNVHRLPCVDWXDB-VIFPVBQESA-N 0 1 287.266 2.312 20 5 CEBDMN C[C@]1(COC(=O)c2ccc([N+](=O)[O-])[nH]2)C[C@]1(F)Cl ZINC000821865223 634814377 /nfs/dbraw/zinc/81/43/77/634814377.db2.gz IYRRPZYTSPZIRX-NXEZZACHSA-N 0 1 276.651 2.394 20 5 CEBDMN Cc1ccc(C(C)(C)CN(C)CC[N+](=O)[O-])cc1 ZINC000798197080 630836450 /nfs/dbraw/zinc/83/64/50/630836450.db2.gz OOBJUTBXAONWGR-UHFFFAOYSA-N 0 1 250.342 2.481 20 5 CEBDMN CC(C)[C@@H](N)c1noc(Cc2cccc([N+](=O)[O-])c2)n1 ZINC000843148494 631859453 /nfs/dbraw/zinc/85/94/53/631859453.db2.gz SZGMCHMZTRICMC-GFCCVEGCSA-N 0 1 276.296 2.224 20 5 CEBDMN Cc1cc2c(o1)CC(C)(C)C[C@H]2NCC[N+](=O)[O-] ZINC000905048256 635788482 /nfs/dbraw/zinc/78/84/82/635788482.db2.gz CHGLJFKKCPCLHU-LLVKDONJSA-N 0 1 252.314 2.468 20 5 CEBDMN CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])[C@H]1CCCC[C@@H]1C ZINC000840311613 632784460 /nfs/dbraw/zinc/78/44/60/632784460.db2.gz FICCCSCIPWDUIE-WHOHXGKFSA-N 0 1 254.330 2.079 20 5 CEBDMN Cc1noc(-c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)n1 ZINC000904579452 635670189 /nfs/dbraw/zinc/67/01/89/635670189.db2.gz PAUPIPBULQCYSS-UHFFFAOYSA-N 0 1 271.236 2.343 20 5 CEBDMN O=[N+]([O-])CCNCCSc1ccc(Cl)cc1 ZINC000905029005 635793894 /nfs/dbraw/zinc/79/38/94/635793894.db2.gz VVTMPXBZESPZNZ-UHFFFAOYSA-N 0 1 260.746 2.298 20 5 CEBDMN Cc1ccc(Cn2cc(CNC(C)C)nn2)cc1[N+](=O)[O-] ZINC000905793237 636462355 /nfs/dbraw/zinc/46/23/55/636462355.db2.gz TXKZKVGNULMHHE-UHFFFAOYSA-N 0 1 289.339 2.041 20 5 CEBDMN O=C(NCC1(c2cccc(F)c2)CCC1)[C@@H]1CC1[N+](=O)[O-] ZINC000830870564 637184103 /nfs/dbraw/zinc/18/41/03/637184103.db2.gz IUWVORIPYMUAFU-CHWSQXEVSA-N 0 1 292.310 2.029 20 5 CEBDMN CCCN(C)CC(=O)Nc1cc([N+](=O)[O-])ccc1OCC ZINC000908279781 637282523 /nfs/dbraw/zinc/28/25/23/637282523.db2.gz KUJOUHMHRNYCGQ-UHFFFAOYSA-N 0 1 295.339 2.274 20 5 CEBDMN CCN1CCCN(C(=O)c2ccc([N+](=O)[O-])s2)[C@@H](C)C1 ZINC000910295531 637999353 /nfs/dbraw/zinc/99/93/53/637999353.db2.gz MGCPTXVQWPQHQW-JTQLQIEISA-N 0 1 297.380 2.213 20 5 CEBDMN COCCC1(C(=O)OCc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000837590137 639296966 /nfs/dbraw/zinc/29/69/66/639296966.db2.gz WWCOTEFJHQLPCP-UHFFFAOYSA-N 0 1 295.291 2.160 20 5 CEBDMN C[C@@H]1C[C@H](C(=O)OCc2cc(O)ccc2[N+](=O)[O-])CCO1 ZINC000837617051 639309547 /nfs/dbraw/zinc/30/95/47/639309547.db2.gz UXYBNBUOENFOKN-NXEZZACHSA-N 0 1 295.291 2.159 20 5 CEBDMN CC(C)[C@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1ccccc1 ZINC000840672704 639520936 /nfs/dbraw/zinc/52/09/36/639520936.db2.gz LTXXAURWRWOZGI-BZPMIXESSA-N 0 1 291.303 2.102 20 5 CEBDMN C[C@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])c1cc(F)cc(F)c1 ZINC000841145057 639690237 /nfs/dbraw/zinc/69/02/37/639690237.db2.gz ALKBCEGEIQQVJS-MQOMDTIOSA-N 0 1 271.219 2.234 20 5 CEBDMN C[C@H]1CCC[C@H](C)N(Cn2cc([N+](=O)[O-])cn2)C1 ZINC000172918407 639827734 /nfs/dbraw/zinc/82/77/34/639827734.db2.gz YQXJUMAJLUFZPA-QWRGUYRKSA-N 0 1 252.318 2.259 20 5 CEBDMN CCCCO[C@H]1C[C@H](OC(=O)[C@@H]2CC2[N+](=O)[O-])C1(C)C ZINC000842318433 640012389 /nfs/dbraw/zinc/01/23/89/640012389.db2.gz LNXBOYRDEYSOSM-WYUUTHIRSA-N 0 1 285.340 2.179 20 5 CEBDMN C[C@@H](CCCC(F)(F)F)OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000842338746 640021123 /nfs/dbraw/zinc/02/11/23/640021123.db2.gz UEZKSKDAYORKJM-XLPZGREQSA-N 0 1 269.219 2.316 20 5 CEBDMN O=C(O[C@@H]1CCCOc2c(F)cccc21)[C@@H]1CC1[N+](=O)[O-] ZINC000842349598 640024558 /nfs/dbraw/zinc/02/45/58/640024558.db2.gz ZMDNGIMXSSFSRQ-YUSALJHKSA-N 0 1 295.266 2.248 20 5 CEBDMN C[C@H]1C[C@H](c2cccc(F)c2)N(CC[N+](=O)[O-])C1 ZINC000929724271 640034676 /nfs/dbraw/zinc/03/46/76/640034676.db2.gz YWVCQKQGNBTWCG-GXFFZTMASA-N 0 1 252.289 2.485 20 5 CEBDMN COC(=O)c1ccc([N+](=O)[O-])c(CON=C(N)C(C)C)c1 ZINC000844765764 640831601 /nfs/dbraw/zinc/83/16/01/640831601.db2.gz DKHWASAVIGSPFY-UHFFFAOYSA-N 0 1 295.295 2.036 20 5 CEBDMN Cc1noc(C)c1CNC[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000105908920 640974230 /nfs/dbraw/zinc/97/42/30/640974230.db2.gz FHFUFZZUGMHYJA-AWEZNQCLSA-N 0 1 291.307 2.023 20 5 CEBDMN CC(=O)C1CCN(Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000846938415 641491006 /nfs/dbraw/zinc/49/10/06/641491006.db2.gz JIIQGQIHTXBJKC-UHFFFAOYSA-N 0 1 278.308 2.101 20 5 CEBDMN O=[N+]([O-])c1cccc2c1CC[C@@H]2NC[C@H](O)C(F)(F)F ZINC000848524689 642032611 /nfs/dbraw/zinc/03/26/11/642032611.db2.gz VPABRHPHRMNNMJ-ONGXEEELSA-N 0 1 290.241 2.095 20 5 CEBDMN CCOCCN(CC)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000107668565 642034462 /nfs/dbraw/zinc/03/44/62/642034462.db2.gz ACTUMDUWOYXGDO-UHFFFAOYSA-N 0 1 292.339 2.260 20 5 CEBDMN C/C(=C\C[N@@H+](C)CCc1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC000851707617 643117630 /nfs/dbraw/zinc/11/76/30/643117630.db2.gz HEDBGZVHGARALC-YRNVUSSQSA-N 0 1 278.308 2.100 20 5 CEBDMN CN(CC1CC1)Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1 ZINC000853491773 643788085 /nfs/dbraw/zinc/78/80/85/643788085.db2.gz YTSPQLBKNBLNPW-UHFFFAOYSA-N 0 1 287.323 2.153 20 5 CEBDMN O=[N+]([O-])c1cccc(-c2ncn(CN3CC[C@H]4C[C@H]4C3)n2)c1 ZINC000853579855 643821204 /nfs/dbraw/zinc/82/12/04/643821204.db2.gz NLFCPGTZGSUSEE-AAEUAGOBSA-N 0 1 299.334 2.153 20 5 CEBDMN O=C(NCCCC1CCCCC1)[C@@H]1CC1[N+](=O)[O-] ZINC000839526827 644252821 /nfs/dbraw/zinc/25/28/21/644252821.db2.gz JMNMFUJNIVTSRY-VXGBXAGGSA-N 0 1 254.330 2.128 20 5 CEBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCCC[C@@H]1CC1CCC1 ZINC000856272827 644623774 /nfs/dbraw/zinc/62/37/74/644623774.db2.gz SLXFFAMPFHUMEX-JHJVBQTASA-N 0 1 266.341 2.223 20 5 CEBDMN CC(C)n1ncc2cc(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])ccc21 ZINC000839685324 644772926 /nfs/dbraw/zinc/77/29/26/644772926.db2.gz CIHVBQRFGULHRE-DGCLKSJQSA-N 0 1 288.307 2.221 20 5 CEBDMN O=C(NC1(c2ccc(F)cc2F)CCC1)[C@@H]1CC1[N+](=O)[O-] ZINC000839718261 644790632 /nfs/dbraw/zinc/79/06/32/644790632.db2.gz ZHNBXLSOFIQUAI-BXKDBHETSA-N 0 1 296.273 2.125 20 5 CEBDMN O=C(N[C@@H]1C[C@H]1c1ccc2ccccc2c1)[C@@H]1CC1[N+](=O)[O-] ZINC000839750433 644805883 /nfs/dbraw/zinc/80/58/83/644805883.db2.gz MBOWZYVLHNXKOI-ZJIFWQFVSA-N 0 1 296.326 2.477 20 5 CEBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@H](c2ccccc2)C1 ZINC000839779317 644814198 /nfs/dbraw/zinc/81/41/98/644814198.db2.gz OBNFAOMVZLIVEA-BFHYXJOUSA-N 0 1 274.320 2.058 20 5 CEBDMN Cn1cc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c(C2CCCCC2)n1 ZINC000839781716 644815027 /nfs/dbraw/zinc/81/50/27/644815027.db2.gz YZUWQTSYWBNVBE-ZYHUDNBSSA-N 0 1 292.339 2.072 20 5 CEBDMN CN(Cc1cc(F)ccc1[N+](=O)[O-])CC1(O)CCC1 ZINC000759877402 645087110 /nfs/dbraw/zinc/08/71/10/645087110.db2.gz TUUDVSCPHPXCKR-UHFFFAOYSA-N 0 1 268.288 2.081 20 5 CEBDMN C[C@H]1CCN(Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000878031051 650978484 /nfs/dbraw/zinc/97/84/84/650978484.db2.gz OUWBHWHDFKGCKM-JTQLQIEISA-N 0 1 288.307 2.487 20 5 CEBDMN Cc1cc(NCCN2CC[C@H](O)C2)c(Cl)cc1[N+](=O)[O-] ZINC000858867141 645276915 /nfs/dbraw/zinc/27/69/15/645276915.db2.gz LLBSZVIHMZWHTK-JTQLQIEISA-N 0 1 299.758 2.035 20 5 CEBDMN CCOc1cccc(COC(=O)c2ccc([N+](=O)[O-])[nH]2)n1 ZINC000761444161 645285542 /nfs/dbraw/zinc/28/55/42/645285542.db2.gz WMNLWKOALCGVAU-UHFFFAOYSA-N 0 1 291.263 2.074 20 5 CEBDMN C[C@@H](C(=O)NO[C@H]1CCCCO1)c1cccc([N+](=O)[O-])c1 ZINC000761680713 645308225 /nfs/dbraw/zinc/30/82/25/645308225.db2.gz VAFUOIJQMISGTA-MFKMUULPSA-N 0 1 294.307 2.273 20 5 CEBDMN C[C@@H](NC[C@H]1CC2(CC2)C(=O)O1)c1ccccc1[N+](=O)[O-] ZINC000763756382 645575197 /nfs/dbraw/zinc/57/51/97/645575197.db2.gz ADYVEDMBIZPDEA-GHMZBOCLSA-N 0 1 290.319 2.341 20 5 CEBDMN O=C(OCCSC(F)(F)F)c1ccc([N+](=O)[O-])[nH]1 ZINC000770940926 646455935 /nfs/dbraw/zinc/45/59/35/646455935.db2.gz AEDBXNXXCGWTDV-UHFFFAOYSA-N 0 1 284.215 2.333 20 5 CEBDMN O=C(Cc1ccc([N+](=O)[O-])cc1)NOc1ccccc1 ZINC000773465654 646743099 /nfs/dbraw/zinc/74/30/99/646743099.db2.gz HUCRCCIAEFPNHW-UHFFFAOYSA-N 0 1 272.260 2.248 20 5 CEBDMN C[C@@H](OC(=O)c1ccc([N+](=O)[O-])[nH]1)c1ncc(Cl)n1C ZINC000773879541 646783839 /nfs/dbraw/zinc/78/38/39/646783839.db2.gz PBBACUBAZVJTES-ZCFIWIBFSA-N 0 1 298.686 2.228 20 5 CEBDMN COC(=O)/C(C)=C\CN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000775181900 646928536 /nfs/dbraw/zinc/92/85/36/646928536.db2.gz ZSQHLXXKMLWIEQ-ZJRUKIMVSA-N 0 1 278.308 2.365 20 5 CEBDMN CC[C@H]1C[C@H](OC(=O)c2ccc([N+](=O)[O-])[nH]2)CCO1 ZINC000779302956 647309113 /nfs/dbraw/zinc/30/91/13/647309113.db2.gz MWHQYCRSKVYLMM-DTWKUNHWSA-N 0 1 268.269 2.037 20 5 CEBDMN CC(C)C[C@H](C)NC(=O)[C@](C)(N)c1cccc([N+](=O)[O-])c1 ZINC000867979879 648009269 /nfs/dbraw/zinc/00/92/69/648009269.db2.gz PPIMSSQDWFEXNE-XHDPSFHLSA-N 0 1 293.367 2.320 20 5 CEBDMN CC(C)C[C@@H](C)NC(=O)[C@@](C)(N)c1cccc([N+](=O)[O-])c1 ZINC000867979876 648009595 /nfs/dbraw/zinc/00/95/95/648009595.db2.gz PPIMSSQDWFEXNE-ABAIWWIYSA-N 0 1 293.367 2.320 20 5 CEBDMN CCN(CC(=O)NC)C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000787407738 648105892 /nfs/dbraw/zinc/10/58/92/648105892.db2.gz QVSFEIBDARXBHD-XYOKQWHBSA-N 0 1 291.351 2.066 20 5 CEBDMN CN(CCCOc1ccc(Cl)cc1)CC[N+](=O)[O-] ZINC000787706484 648129803 /nfs/dbraw/zinc/12/98/03/648129803.db2.gz AWKVBHIGZZRSOM-UHFFFAOYSA-N 0 1 272.732 2.317 20 5 CEBDMN O=[N+]([O-])c1ccccc1/C=C\CNC[C@H](O)C(F)(F)F ZINC000788976189 648240546 /nfs/dbraw/zinc/24/05/46/648240546.db2.gz YFZUOFZQBLJDSD-MZBZXASESA-N 0 1 290.241 2.121 20 5 CEBDMN CSCc1n[nH]c(CNc2cccc(C)c2[N+](=O)[O-])n1 ZINC000884695241 652968178 /nfs/dbraw/zinc/96/81/78/652968178.db2.gz PVSBAXHPWHKXBX-UHFFFAOYSA-N 0 1 293.352 2.496 20 5 CEBDMN CSCc1nnc(CNc2cccc(C)c2[N+](=O)[O-])[nH]1 ZINC000884695241 652968179 /nfs/dbraw/zinc/96/81/79/652968179.db2.gz PVSBAXHPWHKXBX-UHFFFAOYSA-N 0 1 293.352 2.496 20 5 CEBDMN CO[C@@H]1CC[C@H]1N(C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000724123314 803047599 /nfs/dbraw/zinc/04/75/99/803047599.db2.gz WONZJGQFKKNDCO-CHWSQXEVSA-N 0 1 268.288 2.343 20 5 CEBDMN CC1(C)CN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CCN1 ZINC000702055153 809490478 /nfs/dbraw/zinc/49/04/78/809490478.db2.gz YCOOUCBVIIPNOR-UHFFFAOYSA-N 0 1 297.742 2.072 20 5 CEBDMN COC1(OC)CC[C@H]1NCc1cccc([N+](=O)[O-])c1C ZINC000710967182 810007188 /nfs/dbraw/zinc/00/71/88/810007188.db2.gz MLFHLLHYMLJUBE-CYBMUJFWSA-N 0 1 280.324 2.144 20 5 CEBDMN C[C@@H](NC(=O)[C@](C)(N)c1cccc([N+](=O)[O-])c1)C1CCC1 ZINC001122367433 815405321 /nfs/dbraw/zinc/40/53/21/815405321.db2.gz BXVILNMFQQIKGL-MEBBXXQBSA-N 0 1 291.351 2.074 20 5 CEBDMN O=[N+]([O-])c1ccc(NC[C@H]2COCCN2)c2ccccc21 ZINC001170048387 812004377 /nfs/dbraw/zinc/00/43/77/812004377.db2.gz ZMMXPUPLGWANFH-NSHDSACASA-N 0 1 287.319 2.148 20 5 CEBDMN CC(C)CCC(=O)NCCNCc1csc([N+](=O)[O-])c1 ZINC001123225235 815490097 /nfs/dbraw/zinc/49/00/97/815490097.db2.gz WLQAIGDBOZJTOK-UHFFFAOYSA-N 0 1 299.396 2.298 20 5 CEBDMN CCN([C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-])C1COC1 ZINC001170352963 812391503 /nfs/dbraw/zinc/39/15/03/812391503.db2.gz VFVMVLFFDZCAHB-LLVKDONJSA-N 0 1 294.351 2.255 20 5 CEBDMN COC[C@@H]1CCN1[C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170355379 812392251 /nfs/dbraw/zinc/39/22/51/812392251.db2.gz BXERBOBEHWDKCM-YPMHNXCESA-N 0 1 294.351 2.255 20 5 CEBDMN CC[C@@](N)(CO)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC001170863173 813559272 /nfs/dbraw/zinc/55/92/72/813559272.db2.gz BQWJTZCYHRNAFD-JTQLQIEISA-N 0 1 293.245 2.083 20 5 CEBDMN CC[N@@H+]1CC[C@H]1CNCc1cc([N+](=O)[O-])ccc1Cl ZINC000712571770 814767189 /nfs/dbraw/zinc/76/71/89/814767189.db2.gz YCWDKMFJAQHMCN-LBPRGKRZSA-N 0 1 283.759 2.432 20 5 CEBDMN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)NCc1cocn1 ZINC001173219228 815624842 /nfs/dbraw/zinc/62/48/42/815624842.db2.gz ZGTGRDPJQVLPDJ-JTQLQIEISA-N 0 1 261.281 2.304 20 5 CEBDMN O=C(Nc1cc(Cl)cc2cccnc21)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001124768665 815629395 /nfs/dbraw/zinc/62/93/95/815629395.db2.gz QRJMJSPBWCRCAB-MWLCHTKSSA-N 0 1 291.694 2.492 20 5 CEBDMN O=[N+]([O-])c1ccc(CN2CCCC[C@@H]2c2nnc[nH]2)cc1 ZINC000121642183 365597485 /nfs/dbraw/zinc/59/74/85/365597485.db2.gz UPVKBRVYPCQMEM-CYBMUJFWSA-N 0 1 287.323 2.440 20 5 CEBDMN CCCNC(=O)CN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000036780800 361856872 /nfs/dbraw/zinc/85/68/72/361856872.db2.gz HGPJGYRMEMWZKL-NSHDSACASA-N 0 1 279.340 2.080 20 5 CEBDMN CC(C)[N@@H+](CCC(=O)[O-])Cc1ccccc1[N+](=O)[O-] ZINC000037596038 361908404 /nfs/dbraw/zinc/90/84/04/361908404.db2.gz WZLVZMWEDAJMPV-UHFFFAOYSA-N 0 1 266.297 2.280 20 5 CEBDMN CC[C@H](C)NC(=O)CCNCc1csc([N+](=O)[O-])c1 ZINC000038014262 361981131 /nfs/dbraw/zinc/98/11/31/361981131.db2.gz WOUSEOOBDVNPEN-VIFPVBQESA-N 0 1 285.369 2.051 20 5 CEBDMN C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@H](C)c1ncnn1C ZINC000449276834 282168284 /nfs/dbraw/zinc/16/82/84/282168284.db2.gz DBBDOQHFBACCGN-GHMZBOCLSA-N 0 1 289.339 2.005 20 5 CEBDMN C[C@@H]1CCC2=NN(c3ccc([N+](=O)[O-])cn3)C(=O)[C@H]2C1 ZINC000601931457 346929281 /nfs/dbraw/zinc/92/92/81/346929281.db2.gz FKAXGAFVSMEICN-SCZZXKLOSA-N 0 1 274.280 2.129 20 5 CEBDMN Cc1cc([N+](=O)[O-])ccc1-n1[nH]c(C2CC2)cc1=O ZINC000601941989 346935350 /nfs/dbraw/zinc/93/53/50/346935350.db2.gz GCMMJCFTNYNHNR-UHFFFAOYSA-N 0 1 259.265 2.406 20 5 CEBDMN CCCN1CCN(c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000039081399 343435414 /nfs/dbraw/zinc/43/54/14/343435414.db2.gz DNAIUVGIBFCDFC-UHFFFAOYSA-N 0 1 267.304 2.266 20 5 CEBDMN O=C(Nc1ccn(-c2ccncc2)n1)c1ccc([N+](=O)[O-])o1 ZINC000071027573 343798792 /nfs/dbraw/zinc/79/87/92/343798792.db2.gz JACRHQBSBLQKTD-UHFFFAOYSA-N 0 1 299.246 2.021 20 5 CEBDMN Cc1[nH]ncc1CN(C)C(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000602165268 346986161 /nfs/dbraw/zinc/98/61/61/346986161.db2.gz COZUMFVXWBCEBV-UHFFFAOYSA-N 0 1 294.336 2.268 20 5 CEBDMN Cc1[nH]ncc1CN(C)C(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000602167069 346986391 /nfs/dbraw/zinc/98/63/91/346986391.db2.gz LEQDTDNFOLDYJC-UHFFFAOYSA-N 0 1 288.307 2.207 20 5 CEBDMN CC(C)CCN(Cc1cn(C)nc1[N+](=O)[O-])C1CC1 ZINC000602442037 347034898 /nfs/dbraw/zinc/03/48/98/347034898.db2.gz RJIQMCOBXZANLD-UHFFFAOYSA-N 0 1 266.345 2.339 20 5 CEBDMN C[N@@H+](Cc1cc([O-])ccc1[N+](=O)[O-])C[C@@H]1CCCCO1 ZINC000092427300 344188516 /nfs/dbraw/zinc/18/85/16/344188516.db2.gz HFMPLDRPGJELHF-ZDUSSCGKSA-N 0 1 280.324 2.301 20 5 CEBDMN C[N@H+](Cc1cc([O-])ccc1[N+](=O)[O-])C[C@@H]1CCCCO1 ZINC000092427300 344188517 /nfs/dbraw/zinc/18/85/17/344188517.db2.gz HFMPLDRPGJELHF-ZDUSSCGKSA-N 0 1 280.324 2.301 20 5 CEBDMN CN(Cc1cc(O)ccc1[N+](=O)[O-])C[C@@H]1CCCCO1 ZINC000092427300 344188519 /nfs/dbraw/zinc/18/85/19/344188519.db2.gz HFMPLDRPGJELHF-ZDUSSCGKSA-N 0 1 280.324 2.301 20 5 CEBDMN O=[N+]([O-])c1ccc(CN[C@H]2CCOC2)c(Cl)c1 ZINC000131483694 344358144 /nfs/dbraw/zinc/35/81/44/344358144.db2.gz YWIBZLRZOQKJGN-VIFPVBQESA-N 0 1 256.689 2.127 20 5 CEBDMN Cc1nc(C)c(CNCCOc2ccc([N+](=O)[O-])cc2)o1 ZINC000314646482 344746560 /nfs/dbraw/zinc/74/65/60/344746560.db2.gz YYDZCCVUXNDYRP-UHFFFAOYSA-N 0 1 291.307 2.368 20 5 CEBDMN COC1CCN(CCNc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000587993812 345033154 /nfs/dbraw/zinc/03/31/54/345033154.db2.gz UQTIHAVDUDTHRE-UHFFFAOYSA-N 0 1 297.330 2.257 20 5 CEBDMN O=[N+]([O-])c1ccccc1OCCN1CCC[C@@H]2COC[C@@H]21 ZINC000590972486 345208899 /nfs/dbraw/zinc/20/88/99/345208899.db2.gz ZSESISSJBCAJTL-OCCSQVGLSA-N 0 1 292.335 2.084 20 5 CEBDMN C[C@@H]1CN(C)[C@H](C)[C@@H](C)N1C(=O)c1ccccc1[N+](=O)[O-] ZINC000593187199 345450888 /nfs/dbraw/zinc/45/08/88/345450888.db2.gz HBRYUHRXNFKSBJ-IJLUTSLNSA-N 0 1 291.351 2.148 20 5 CEBDMN Cc1ccc(C[N@H+]2[C@H](C)CC[C@@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC000593332841 345468059 /nfs/dbraw/zinc/46/80/59/345468059.db2.gz JRUBDFXAANJFIA-ZYHUDNBSSA-N 0 1 278.308 2.341 20 5 CEBDMN Cn1ncc(C2CC2)c1CNCc1cccc([N+](=O)[O-])c1 ZINC000594917089 345700902 /nfs/dbraw/zinc/70/09/02/345700902.db2.gz HMALWHBOKNTZDR-UHFFFAOYSA-N 0 1 286.335 2.496 20 5 CEBDMN CC[C@@H](COC)NCc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000594921977 345703038 /nfs/dbraw/zinc/70/30/38/345703038.db2.gz NGSVBDDZDIOZGV-NSHDSACASA-N 0 1 298.339 2.127 20 5 CEBDMN Cc1noc(CN2CCC[C@@H]([C@@H]3CCOC3)C2)c1[N+](=O)[O-] ZINC000595388991 345772284 /nfs/dbraw/zinc/77/22/84/345772284.db2.gz JXYHUTFMQCJPCQ-VXGBXAGGSA-N 0 1 295.339 2.140 20 5 CEBDMN Cc1noc(CN2CC[C@@H](C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000595405171 345775269 /nfs/dbraw/zinc/77/52/69/345775269.db2.gz UXLZSXOFPBHCLH-RKDXNWHRSA-N 0 1 253.302 2.369 20 5 CEBDMN CCOC(=O)[C@H](C)[C@H](C)NCc1ccc(F)cc1[N+](=O)[O-] ZINC000595429139 345781001 /nfs/dbraw/zinc/78/10/01/345781001.db2.gz LZPZTQNAQPPRKR-ZJUUUORDSA-N 0 1 298.314 2.411 20 5 CEBDMN COC[C@@H]1CCCCN(Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000595438272 345782772 /nfs/dbraw/zinc/78/27/72/345782772.db2.gz FMYZPKCZVWDZOZ-LLVKDONJSA-N 0 1 283.328 2.140 20 5 CEBDMN CO[C@]1(C)C[C@H](NCc2onc(C)c2[N+](=O)[O-])C1(C)C ZINC000595513530 345801451 /nfs/dbraw/zinc/80/14/51/345801451.db2.gz VMWNDYZVWJNQAI-GXFFZTMASA-N 0 1 283.328 2.184 20 5 CEBDMN O=[N+]([O-])c1cc(F)ccc1CN1CC[C@@H](CCCO)C1 ZINC000595521546 345802717 /nfs/dbraw/zinc/80/27/17/345802717.db2.gz DTZDUJUGKXJLKL-LLVKDONJSA-N 0 1 282.315 2.328 20 5 CEBDMN O=[N+]([O-])c1cccnc1N1CCN(CCC2CCC2)CC1 ZINC000595523960 345803299 /nfs/dbraw/zinc/80/32/99/345803299.db2.gz ODPZVQOCWZLRIP-UHFFFAOYSA-N 0 1 290.367 2.302 20 5 CEBDMN COc1ccc(CN2CC[C@H]3COC[C@H]3C2)cc1[N+](=O)[O-] ZINC000595836659 345892866 /nfs/dbraw/zinc/89/28/66/345892866.db2.gz XXACISQVEUYYMK-QWHCGFSZSA-N 0 1 292.335 2.072 20 5 CEBDMN COc1ccc(CN2C[C@H]3COC[C@@]3(C)C2)cc1[N+](=O)[O-] ZINC000595756455 345868431 /nfs/dbraw/zinc/86/84/31/345868431.db2.gz GFULTDXRMTWBFV-SWLSCSKDSA-N 0 1 292.335 2.072 20 5 CEBDMN CC[C@@H]1C[C@H](NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CO1 ZINC000597117689 346130751 /nfs/dbraw/zinc/13/07/51/346130751.db2.gz PZUHWCYCNNWAFI-GXSJLCMTSA-N 0 1 290.323 2.128 20 5 CEBDMN CN(C[C@H]1CC1(C)C)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000598549815 346373327 /nfs/dbraw/zinc/37/33/27/346373327.db2.gz DVZZCYYVEIKMCP-SNVBAGLBSA-N 0 1 278.308 2.419 20 5 CEBDMN COC(=O)[C@H]1CCN([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000339221415 215021230 /nfs/dbraw/zinc/02/12/30/215021230.db2.gz BCEXSVPYOHINSD-PWSUYJOCSA-N 0 1 278.308 2.151 20 5 CEBDMN C[C@@H]1CN(CCn2cc([N+](=O)[O-])cn2)C[C@H](C)C1(F)F ZINC000599511838 346531078 /nfs/dbraw/zinc/53/10/78/346531078.db2.gz BWGNFUMPILHUKT-AOOOYVTPSA-N 0 1 288.298 2.014 20 5 CEBDMN CN(Cc1nc2cc([N+](=O)[O-])ccc2o1)CC1(C)COC1 ZINC000599571729 346540570 /nfs/dbraw/zinc/54/05/70/346540570.db2.gz SPTTYSMHQJCOQT-UHFFFAOYSA-N 0 1 291.307 2.204 20 5 CEBDMN C[C@H](NC(=O)CN(C)C1CCC1)c1ccccc1[N+](=O)[O-] ZINC000600819790 346696767 /nfs/dbraw/zinc/69/67/67/346696767.db2.gz YIQVACOYJMYFDD-NSHDSACASA-N 0 1 291.351 2.256 20 5 CEBDMN Cc1ccc(CN[C@H](C)[C@H](O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000601150884 346770636 /nfs/dbraw/zinc/77/06/36/346770636.db2.gz HEYFDFQWFIMMEQ-KCJUWKMLSA-N 0 1 292.257 2.305 20 5 CEBDMN CN(Cc1cn(C)nc1[N+](=O)[O-])C1CCC(F)(F)CC1 ZINC000602660953 347128645 /nfs/dbraw/zinc/12/86/45/347128645.db2.gz CDYSUPFYSZGMPE-UHFFFAOYSA-N 0 1 288.298 2.338 20 5 CEBDMN C[C@@H]1COCCCN1Cc1cccc([N+](=O)[O-])c1 ZINC000610990591 347727449 /nfs/dbraw/zinc/72/74/49/347727449.db2.gz BYQBUCUWDMQAKI-LLVKDONJSA-N 0 1 250.298 2.206 20 5 CEBDMN C[C@@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)C1CCC1 ZINC000611559339 347794708 /nfs/dbraw/zinc/79/47/08/347794708.db2.gz JWUXOSYQTCYXPT-MRVPVSSYSA-N 0 1 264.281 2.219 20 5 CEBDMN C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H](C(=O)[O-])C1 ZINC000086790467 179335380 /nfs/dbraw/zinc/33/53/80/179335380.db2.gz AIXKBHWQUWJGTA-KOLCDFICSA-N 0 1 264.281 2.062 20 5 CEBDMN C[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000086782764 179331514 /nfs/dbraw/zinc/33/15/14/179331514.db2.gz JPOCKMMDZIFNDC-GFCCVEGCSA-N 0 1 284.337 2.343 20 5 CEBDMN C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2F)[C@H](C)CN1C ZINC000351937668 219254641 /nfs/dbraw/zinc/25/46/41/219254641.db2.gz UWQCHIFUCAAXPN-GHMZBOCLSA-N 0 1 281.331 2.258 20 5 CEBDMN CCN1CCN([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000066405209 362863645 /nfs/dbraw/zinc/86/36/45/362863645.db2.gz RTMAGSVRGZKXAQ-LBPRGKRZSA-N 0 1 263.341 2.293 20 5 CEBDMN CCNC(=O)[C@@H](NCc1ccc(C)c([N+](=O)[O-])c1)C(C)C ZINC000339434696 215167690 /nfs/dbraw/zinc/16/76/90/215167690.db2.gz WMPQYRRQBQZNQF-AWEZNQCLSA-N 0 1 293.367 2.154 20 5 CEBDMN C[C@@H]1CN(C)[C@@H](C)CN1Cc1csc([N+](=O)[O-])c1 ZINC000351957276 219264372 /nfs/dbraw/zinc/26/43/72/219264372.db2.gz FUKCTNKKXWVVMZ-VHSXEESVSA-N 0 1 269.370 2.181 20 5 CEBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@@H](O)C(F)(F)F ZINC000616362967 348487318 /nfs/dbraw/zinc/48/73/18/348487318.db2.gz KDIRTUITARWRTG-GZMMTYOYSA-N 0 1 292.257 2.477 20 5 CEBDMN CC(C)OCCCCNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000273470218 192163470 /nfs/dbraw/zinc/16/34/70/192163470.db2.gz JNZQZBBLTPTGFF-UHFFFAOYSA-N 0 1 296.323 2.235 20 5 CEBDMN COC[C@@H]1C[C@H](O)CN1[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000411907029 233297258 /nfs/dbraw/zinc/29/72/58/233297258.db2.gz FAGBJQICIBSGJF-UBHSHLNASA-N 0 1 294.351 2.046 20 5 CEBDMN O=[N+]([O-])c1ccc(CN2CCCO[C@@H](CF)C2)cc1 ZINC000411856013 233290291 /nfs/dbraw/zinc/29/02/91/233290291.db2.gz QLOMKDJEKFTZLD-ZDUSSCGKSA-N 0 1 268.288 2.155 20 5 CEBDMN Cc1cnc(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)c(O)c1 ZINC000352190986 219353650 /nfs/dbraw/zinc/35/36/50/219353650.db2.gz RFHBBPQSWBZBSI-UHFFFAOYSA-N 0 1 291.238 2.395 20 5 CEBDMN CC(C)[C@H](CO)NCc1c(Cl)cccc1[N+](=O)[O-] ZINC000092395056 180376993 /nfs/dbraw/zinc/37/69/93/180376993.db2.gz HLDYRHUQOGCQHN-NSHDSACASA-N 0 1 272.732 2.355 20 5 CEBDMN COc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H]1C[C@H](C)O ZINC000152652937 188034532 /nfs/dbraw/zinc/03/45/32/188034532.db2.gz WRBLERNRVNJKRS-WCQYABFASA-N 0 1 294.351 2.339 20 5 CEBDMN Cc1c(C(=O)N(C)[C@@H]2CCCN(C)C2)cccc1[N+](=O)[O-] ZINC000153544450 188087984 /nfs/dbraw/zinc/08/79/84/188087984.db2.gz ZFAGNHSNXBKMQR-GFCCVEGCSA-N 0 1 291.351 2.069 20 5 CEBDMN CC(C)[C@H](C)NC(=O)CN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000451099782 282892350 /nfs/dbraw/zinc/89/23/50/282892350.db2.gz NOUUBQHHNRRDCY-RYUDHWBXSA-N 0 1 293.367 2.406 20 5 CEBDMN CC(C)O[C@H]1C[C@H](NCc2c([N+](=O)[O-])ncn2C)C1(C)C ZINC000451489703 283007837 /nfs/dbraw/zinc/00/78/37/283007837.db2.gz CVBHGZIALPCTHE-RYUDHWBXSA-N 0 1 296.371 2.010 20 5 CEBDMN O=[N+]([O-])c1ccc([C@@H]2CCCN(Cc3c[nH]nn3)C2)cc1 ZINC000451551769 283031980 /nfs/dbraw/zinc/03/19/80/283031980.db2.gz VEWPWVFVIYSTAL-GFCCVEGCSA-N 0 1 287.323 2.093 20 5 CEBDMN COc1cc(CN2CC[C@@H](OC)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000451563670 283036330 /nfs/dbraw/zinc/03/63/30/283036330.db2.gz JYMJCNZJJRNIEI-SMDDNHRTSA-N 0 1 294.351 2.460 20 5 CEBDMN CC1(C)COC[C@@H]1NCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000451813813 283114188 /nfs/dbraw/zinc/11/41/88/283114188.db2.gz WDLOGGGXZQTDMU-LBPRGKRZSA-N 0 1 291.307 2.251 20 5 CEBDMN CO[C@@H]1CCCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000076343755 363538675 /nfs/dbraw/zinc/53/86/75/363538675.db2.gz ZIZJIKILOANMIV-GFCCVEGCSA-N 0 1 280.324 2.084 20 5 CEBDMN Cc1ccc(CN[C@@H](C)C(=O)N2CCCC2)cc1[N+](=O)[O-] ZINC000134590021 366344462 /nfs/dbraw/zinc/34/44/62/366344462.db2.gz PWIBNHSERDOHQG-LBPRGKRZSA-N 0 1 291.351 2.004 20 5 CEBDMN CCc1nc(CNc2c(F)cccc2[N+](=O)[O-])n[nH]1 ZINC000294839661 199206446 /nfs/dbraw/zinc/20/64/46/199206446.db2.gz BBPKQQAPLWSIST-UHFFFAOYSA-N 0 1 265.248 2.027 20 5 CEBDMN Cc1nnc([C@H](C)NCc2cc(O)ccc2[N+](=O)[O-])s1 ZINC000339088028 366648640 /nfs/dbraw/zinc/64/86/40/366648640.db2.gz KEPXIHROKSRKRT-ZETCQYMHSA-N 0 1 294.336 2.311 20 5 CEBDMN Cc1cc(NCc2ncn(C)n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302092575 201340435 /nfs/dbraw/zinc/34/04/35/201340435.db2.gz QGHPULPXOFJTCJ-UHFFFAOYSA-N 0 1 298.306 2.192 20 5 CEBDMN C[C@@H](C(=O)[O-])[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000237613712 370738003 /nfs/dbraw/zinc/73/80/03/370738003.db2.gz QAWPZHCAWYXSRA-ZETCQYMHSA-N 0 1 272.688 2.153 20 5 CEBDMN CC1(C)C[C@@H]1CNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356607120 370771986 /nfs/dbraw/zinc/77/19/86/370771986.db2.gz ZNNHGKXNXVZELD-SECBINFHSA-N 0 1 264.281 2.076 20 5 CEBDMN O=[N+]([O-])c1ccc(N[C@@H]2CCN(Cc3cccnc3)C2)nc1 ZINC000118867096 365187386 /nfs/dbraw/zinc/18/73/86/365187386.db2.gz YBEMBHJCXDVYLT-CYBMUJFWSA-N 0 1 299.334 2.071 20 5 CEBDMN C[C@@H](CCc1ccccc1)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000159025334 366870688 /nfs/dbraw/zinc/87/06/88/366870688.db2.gz PDPHLDILCALGPI-JTQLQIEISA-N 0 1 288.307 2.069 20 5 CEBDMN COc1ccc([N+](=O)[O-])cc1CN(C)C[C@H]1CCC[C@@H]1O ZINC000159627432 366934650 /nfs/dbraw/zinc/93/46/50/366934650.db2.gz IIBHILGGTNGULJ-RISCZKNCSA-N 0 1 294.351 2.196 20 5 CEBDMN CCCCCC[C@H](C)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000159651693 366935776 /nfs/dbraw/zinc/93/57/76/366935776.db2.gz JDPYBYVYLLUZRG-VIFPVBQESA-N 0 1 268.317 2.407 20 5 CEBDMN C[C@H]1CN(c2ncc([N+](=O)[O-])cc2F)CCN(C2CC2)C1 ZINC000582772230 366955921 /nfs/dbraw/zinc/95/59/21/366955921.db2.gz VSWNCADSJZYCIR-SNVBAGLBSA-N 0 1 294.330 2.049 20 5 CEBDMN COc1cc(CN2CC[C@@H](C)[C@@H](OC)C2)ccc1[N+](=O)[O-] ZINC000342721530 367499365 /nfs/dbraw/zinc/49/93/65/367499365.db2.gz NKKKWSPZEQZCLT-ABAIWWIYSA-N 0 1 294.351 2.460 20 5 CEBDMN CC(C)c1ccc(CNC(=O)c2n[nH]cc2[N+](=O)[O-])cc1 ZINC000343186684 367699181 /nfs/dbraw/zinc/69/91/81/367699181.db2.gz GWAIJSUSJFEZCS-UHFFFAOYSA-N 0 1 288.307 2.371 20 5 CEBDMN CC(C)[C@@H](C)CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000172581405 367778442 /nfs/dbraw/zinc/77/84/42/367778442.db2.gz PZWDQRQROREJAR-VIFPVBQESA-N 0 1 290.323 2.493 20 5 CEBDMN C[C@@H]1CSCCN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000172591939 367783121 /nfs/dbraw/zinc/78/31/21/367783121.db2.gz GTTUNUVWANSRJY-LLVKDONJSA-N 0 1 282.365 2.411 20 5 CEBDMN O=C(N[C@@H]1CCCc2cn[nH]c21)c1ccc([N+](=O)[O-])cc1 ZINC000268995777 284043666 /nfs/dbraw/zinc/04/36/66/284043666.db2.gz PROANLBZABFYKQ-GFCCVEGCSA-N 0 1 286.291 2.125 20 5 CEBDMN O=C(N[C@@H]1CCCc2sccc21)c1n[nH]cc1[N+](=O)[O-] ZINC000137376778 284049092 /nfs/dbraw/zinc/04/90/92/284049092.db2.gz KBVSTDVCLUQBBX-MRVPVSSYSA-N 0 1 292.320 2.187 20 5 CEBDMN O=C(Nc1cccc(O)c1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000349986185 369476355 /nfs/dbraw/zinc/47/63/55/369476355.db2.gz IIFFOBRAAKZXQK-UHFFFAOYSA-N 0 1 274.232 2.258 20 5 CEBDMN O=[N+]([O-])c1c[nH]c(-c2nc(-c3ccc(O)c(F)c3)no2)c1 ZINC000350822837 369575530 /nfs/dbraw/zinc/57/55/30/369575530.db2.gz IBLLRRMEFSUFFU-UHFFFAOYSA-N 0 1 290.210 2.485 20 5 CEBDMN Cc1ccc([N+](=O)[O-])c(N2C[C@@H](C)N(C)C[C@@H]2C)c1 ZINC000351510458 369637956 /nfs/dbraw/zinc/63/79/56/369637956.db2.gz RBEOBELVRXMEAC-NEPJUHHUSA-N 0 1 263.341 2.432 20 5 CEBDMN CCN1CCN(Cc2c(F)cc([N+](=O)[O-])cc2F)[C@H](C)C1 ZINC000352671724 369829264 /nfs/dbraw/zinc/82/92/64/369829264.db2.gz JXTUEHGZJPHSLV-SNVBAGLBSA-N 0 1 299.321 2.399 20 5 CEBDMN C[C@H](O)C1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000225782055 370318269 /nfs/dbraw/zinc/31/82/69/370318269.db2.gz OHLRQQNBAKWVHX-NSHDSACASA-N 0 1 264.325 2.188 20 5 CEBDMN CC[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1C)N(C)C ZINC000359220208 371381468 /nfs/dbraw/zinc/38/14/68/371381468.db2.gz OGAFCGZHGBPNKC-GFCCVEGCSA-N 0 1 265.313 2.182 20 5 CEBDMN CO[C@@H]1CCN([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000361372322 371813641 /nfs/dbraw/zinc/81/36/41/371813641.db2.gz MPURUYYQGGUSKD-WDEREUQCSA-N 0 1 250.298 2.377 20 5 CEBDMN CCNC(=O)[C@@H](C)N[C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000268701938 372185501 /nfs/dbraw/zinc/18/55/01/372185501.db2.gz BUGSPRSTWAFZPI-GHMZBOCLSA-N 0 1 279.340 2.078 20 5 CEBDMN CCN(C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-])C1CC1 ZINC000269389380 372438970 /nfs/dbraw/zinc/43/89/70/372438970.db2.gz QXJDEQHTBHZZOJ-UHFFFAOYSA-N 0 1 266.301 2.066 20 5 CEBDMN O=C(Nc1ccc2nc[nH]c2c1)c1ccc([N+](=O)[O-])[nH]1 ZINC000344449811 217194350 /nfs/dbraw/zinc/19/43/50/217194350.db2.gz OKGMPSJXEOOIFN-UHFFFAOYSA-N 0 1 271.236 2.052 20 5 CEBDMN CN(Cc1csc([N+](=O)[O-])c1)C[C@H]1CCC[C@H]1O ZINC000270063022 372652978 /nfs/dbraw/zinc/65/29/78/372652978.db2.gz HFVKDBPJXZBVIM-GHMZBOCLSA-N 0 1 270.354 2.249 20 5 CEBDMN O=[N+]([O-])c1cccc(CN2CCC[C@@]23CCOC3)c1 ZINC000370735900 373731637 /nfs/dbraw/zinc/73/16/37/373731637.db2.gz DALYQRYXJYHRCE-AWEZNQCLSA-N 0 1 262.309 2.350 20 5 CEBDMN O=C1OCCC12CCN(Cc1cccc([N+](=O)[O-])c1)CC2 ZINC000371159853 373803205 /nfs/dbraw/zinc/80/32/05/373803205.db2.gz HEGLHKGFZIMQON-UHFFFAOYSA-N 0 1 290.319 2.124 20 5 CEBDMN CCOc1cc(CN(C)CC[C@H](C)O)ccc1[N+](=O)[O-] ZINC000276836376 374320530 /nfs/dbraw/zinc/32/05/30/374320530.db2.gz BOWONQJIDLDWBS-NSHDSACASA-N 0 1 282.340 2.196 20 5 CEBDMN CCOc1cc(CN2C[C@@H](O)[C@@H](CC)C2)ccc1[N+](=O)[O-] ZINC000276854726 374324869 /nfs/dbraw/zinc/32/48/69/374324869.db2.gz FGJVAUDXQXBKCV-GXTWGEPZSA-N 0 1 294.351 2.196 20 5 CEBDMN CC[C@@H](C)c1nc([C@@H](C)Nc2c([N+](=O)[O-])ncn2C)n[nH]1 ZINC000277479873 374535485 /nfs/dbraw/zinc/53/54/85/374535485.db2.gz SIJIUSNUUQMFLA-HTQZYQBOSA-N 0 1 293.331 2.133 20 5 CEBDMN Cc1[nH]nc(C(=O)N(CC2CCC2)C(C)C)c1[N+](=O)[O-] ZINC000277924345 374684877 /nfs/dbraw/zinc/68/48/77/374684877.db2.gz HOQUMQAZYUPAAP-UHFFFAOYSA-N 0 1 280.328 2.277 20 5 CEBDMN Cn1cnc([N+](=O)[O-])c1CN1CCC[C@@H]2CCCC[C@H]21 ZINC000408001489 375391949 /nfs/dbraw/zinc/39/19/49/375391949.db2.gz ANDHYRMVTHUKAJ-NWDGAFQWSA-N 0 1 278.356 2.483 20 5 CEBDMN C[C@H]1C[C@H](C)N(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000408160627 375420100 /nfs/dbraw/zinc/42/01/00/375420100.db2.gz WMEDYGUDVGOTDJ-IUCAKERBSA-N 0 1 264.281 2.171 20 5 CEBDMN CCN1CCN(c2ncc(Cl)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000286232526 375880000 /nfs/dbraw/zinc/88/00/00/375880000.db2.gz DRVNGJRGLGDXTL-VIFPVBQESA-N 0 1 284.747 2.174 20 5 CEBDMN CC1(C)CC[C@@H]1NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000287051082 376137921 /nfs/dbraw/zinc/13/79/21/376137921.db2.gz JHZAHIXUTFXRJY-NSHDSACASA-N 0 1 288.307 2.390 20 5 CEBDMN C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)CCC(=O)[O-] ZINC000086774928 296240303 /nfs/dbraw/zinc/24/03/03/296240303.db2.gz RTVPIXMFPBHIHN-VIFPVBQESA-N 0 1 252.270 2.062 20 5 CEBDMN COc1ccc([N+](=O)[O-])cc1CN1CC[C@H](C)C1 ZINC000263689082 190073347 /nfs/dbraw/zinc/07/33/47/190073347.db2.gz JMBDQWDCKSXNMA-JTQLQIEISA-N 0 1 250.298 2.445 20 5 CEBDMN C[C@H]1COC(C)(C)CN1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000330464517 377147524 /nfs/dbraw/zinc/14/75/24/377147524.db2.gz UZJNLTVCGJWMLD-JTQLQIEISA-N 0 1 280.324 2.300 20 5 CEBDMN C[C@@H]1CC[C@@H](C(N)=O)C[N@H+]1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000330566912 377188060 /nfs/dbraw/zinc/18/80/60/377188060.db2.gz AWDNRHYBQIIYAD-NXEZZACHSA-N 0 1 293.323 2.436 20 5 CEBDMN COc1ccc(CN[C@@H](C)c2ccnn2C)cc1[N+](=O)[O-] ZINC000278150375 193845329 /nfs/dbraw/zinc/84/53/29/193845329.db2.gz ACKIYZWQTGLMNM-JTQLQIEISA-N 0 1 290.323 2.188 20 5 CEBDMN CO[C@@H]1CN([C@H](C)c2cc([N+](=O)[O-])ccc2C)C[C@H]1OC ZINC000331098822 377281544 /nfs/dbraw/zinc/28/15/44/377281544.db2.gz DWYCCENDWFDHQB-KCPJHIHWSA-N 0 1 294.351 2.310 20 5 CEBDMN O=[N+]([O-])c1ccccc1CN1CCN(C2CCC2)CC1 ZINC000264954075 190147424 /nfs/dbraw/zinc/14/74/24/190147424.db2.gz COSJBWXDUUXAHI-UHFFFAOYSA-N 0 1 275.352 2.265 20 5 CEBDMN C[C@H](CO)NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000264975920 190148781 /nfs/dbraw/zinc/14/87/81/190148781.db2.gz SEIFUAITYMWZKP-SECBINFHSA-N 0 1 293.348 2.189 20 5 CEBDMN CN(Cc1c([N+](=O)[O-])ncn1C)C1CCCCCC1 ZINC000331417569 377419618 /nfs/dbraw/zinc/41/96/18/377419618.db2.gz HEOATMYLSYBBRW-UHFFFAOYSA-N 0 1 266.345 2.483 20 5 CEBDMN O=C(Nc1nccs1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000427903369 377465349 /nfs/dbraw/zinc/46/53/49/377465349.db2.gz KKGCJBVGMXEMQV-UHFFFAOYSA-N 0 1 265.250 2.009 20 5 CEBDMN Cc1[nH]nc(C(=O)N2CCC[C@@H]2CC(C)C)c1[N+](=O)[O-] ZINC000332693404 377671138 /nfs/dbraw/zinc/67/11/38/377671138.db2.gz VMDREWZSHQWXSS-SNVBAGLBSA-N 0 1 280.328 2.277 20 5 CEBDMN C[C@@H]1CN(C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@H](C)N1C ZINC000294174520 377927543 /nfs/dbraw/zinc/92/75/43/377927543.db2.gz JEPYZAWGELYFFM-PHIMTYICSA-N 0 1 292.339 2.151 20 5 CEBDMN Cc1[nH]nc(C(=O)N2CCCC(C)(C)CC2)c1[N+](=O)[O-] ZINC000266174098 190237108 /nfs/dbraw/zinc/23/71/08/190237108.db2.gz VKHNJWFOORZQHI-UHFFFAOYSA-N 0 1 280.328 2.279 20 5 CEBDMN CCCN(CC)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000299406831 378985539 /nfs/dbraw/zinc/98/55/39/378985539.db2.gz YBVXMDGRXMITHZ-UHFFFAOYSA-N 0 1 291.351 2.216 20 5 CEBDMN CC(=Cc1cccc([N+](=O)[O-])c1)CN(C)Cc1nnc[nH]1 ZINC000347309546 218185531 /nfs/dbraw/zinc/18/55/31/218185531.db2.gz DMSWJIMAJDPBKV-WDZFZDKYSA-N 0 1 287.323 2.248 20 5 CEBDMN CO[C@H](CNCc1csc([N+](=O)[O-])c1)C(C)C ZINC000266642696 190273126 /nfs/dbraw/zinc/27/31/26/190273126.db2.gz UTSLEUAEXRHLAC-SNVBAGLBSA-N 0 1 258.343 2.417 20 5 CEBDMN CC[C@H](C)[N@@H+](CC(=O)[O-])Cc1ccc([N+](=O)[O-])cc1OC ZINC000520594179 379490170 /nfs/dbraw/zinc/49/01/70/379490170.db2.gz GGBRIEJUIXCBKQ-JTQLQIEISA-N 0 1 296.323 2.289 20 5 CEBDMN Cc1c(C[N@@H+]2CC[C@H](C)[C@H](C(=O)[O-])C2)cccc1[N+](=O)[O-] ZINC000521042799 379513284 /nfs/dbraw/zinc/51/32/84/379513284.db2.gz QYPRWNIVMJPETF-GXFFZTMASA-N 0 1 292.335 2.446 20 5 CEBDMN CCCCN(CCO)Cc1ccc([N+](=O)[O-])cc1F ZINC000266999212 190296253 /nfs/dbraw/zinc/29/62/53/190296253.db2.gz CDTYFMPHRXJYLS-UHFFFAOYSA-N 0 1 270.304 2.328 20 5 CEBDMN COc1ccc(CN2[C@H](C)CCC[C@H]2CO)cc1[N+](=O)[O-] ZINC000305269916 379701472 /nfs/dbraw/zinc/70/14/72/379701472.db2.gz XMBRIUYDOMAIEC-YPMHNXCESA-N 0 1 294.351 2.339 20 5 CEBDMN COc1ccc(CN2CCC[C@H](C)[C@@H]2CO)cc1[N+](=O)[O-] ZINC000305249081 379697340 /nfs/dbraw/zinc/69/73/40/379697340.db2.gz IRPBTUXIUILYMT-FZMZJTMJSA-N 0 1 294.351 2.196 20 5 CEBDMN C[C@@H]1CCCCCN1Cc1c([N+](=O)[O-])ncn1C ZINC000355335976 296304640 /nfs/dbraw/zinc/30/46/40/296304640.db2.gz CQUBIEXUTCWVSQ-SNVBAGLBSA-N 0 1 252.318 2.093 20 5 CEBDMN C[C@@H]1C[C@H](C)N1CCOc1ccccc1[N+](=O)[O-] ZINC000548424407 380515104 /nfs/dbraw/zinc/51/51/04/380515104.db2.gz FDVDMYVGGQABSY-PHIMTYICSA-N 0 1 250.298 2.456 20 5 CEBDMN O=[N+]([O-])c1cc(F)ccc1N1CCN(CC2CC2)CC1 ZINC000298746401 285096021 /nfs/dbraw/zinc/09/60/21/285096021.db2.gz RZBPDMGWDMBGJA-UHFFFAOYSA-N 0 1 279.315 2.266 20 5 CEBDMN O=[N+]([O-])c1ccc(F)cc1N1CCN2CCCC[C@@H]2C1 ZINC000302794092 285118893 /nfs/dbraw/zinc/11/88/93/285118893.db2.gz IAUFYSQBDPQAHN-GFCCVEGCSA-N 0 1 279.315 2.408 20 5 CEBDMN C[C@@H]1SCCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)[C@H]1C ZINC000269275538 394716688 /nfs/dbraw/zinc/71/66/88/394716688.db2.gz IJERQCBXSDGJJJ-IUCAKERBSA-N 0 1 296.348 2.266 20 5 CEBDMN CC(C)(C)[C@H](O)CN1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000343756908 395044351 /nfs/dbraw/zinc/04/43/51/395044351.db2.gz LXAJDPXWIXPHPS-CQSZACIVSA-N 0 1 278.352 2.360 20 5 CEBDMN O=[N+]([O-])c1cccc(F)c1CN[C@@H]1CCO[C@@H]1C1CC1 ZINC000494459062 395115425 /nfs/dbraw/zinc/11/54/25/395115425.db2.gz TVYSZQIPLMHUJJ-TZMCWYRMSA-N 0 1 280.299 2.391 20 5 CEBDMN COc1cc(CN[C@H](C)c2cn[nH]c2)ccc1[N+](=O)[O-] ZINC000494635210 395128434 /nfs/dbraw/zinc/12/84/34/395128434.db2.gz FSKJBMXBSIHYEX-SECBINFHSA-N 0 1 276.296 2.177 20 5 CEBDMN C[C@H]1CN(C)CCN1c1nc2ccccc2cc1[N+](=O)[O-] ZINC000352369413 395250520 /nfs/dbraw/zinc/25/05/20/395250520.db2.gz YMSXVCWYSVGPNR-NSHDSACASA-N 0 1 286.335 2.283 20 5 CEBDMN CC(C)c1ccc(C(=O)NCc2cnc[nH]2)cc1[N+](=O)[O-] ZINC000439523487 395274283 /nfs/dbraw/zinc/27/42/83/395274283.db2.gz XSNJJYBXDYEATG-UHFFFAOYSA-N 0 1 288.307 2.371 20 5 CEBDMN CCc1[nH]nc(C(=O)N2[C@H](C)CCC[C@H]2C)c1[N+](=O)[O-] ZINC000192520829 395385282 /nfs/dbraw/zinc/38/52/82/395385282.db2.gz LDSKWTPWTGAJAM-RKDXNWHRSA-N 0 1 280.328 2.283 20 5 CEBDMN Cc1ccc([C@H](C)NCC(=O)N(C)C(C)C)cc1[N+](=O)[O-] ZINC000411471471 395328004 /nfs/dbraw/zinc/32/80/04/395328004.db2.gz FGMMMGNCVUREFA-LBPRGKRZSA-N 0 1 293.367 2.421 20 5 CEBDMN C[C@H]1CCCN1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000193936480 395419842 /nfs/dbraw/zinc/41/98/42/395419842.db2.gz WDSAUQFXKMIIBX-VIFPVBQESA-N 0 1 265.269 2.487 20 5 CEBDMN CC1(C)OCC[C@@H]1NCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000451239330 395597708 /nfs/dbraw/zinc/59/77/08/395597708.db2.gz FFKZPCPXGBQUOE-LBPRGKRZSA-N 0 1 291.307 2.393 20 5 CEBDMN O=C([O-])C1(C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000573615872 395611983 /nfs/dbraw/zinc/61/19/83/395611983.db2.gz DGEYNKWECKGFDE-UHFFFAOYSA-N 0 1 290.319 2.424 20 5 CEBDMN COC[C@@]1(C)CCN(Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000451197670 395592909 /nfs/dbraw/zinc/59/29/09/395592909.db2.gz AMMCUIMKNZKJHC-HNNXBMFYSA-N 0 1 294.351 2.462 20 5 CEBDMN Cc1cc(N2CCN3CCC2CC3)c(F)cc1[N+](=O)[O-] ZINC000360049290 155203733 /nfs/dbraw/zinc/20/37/33/155203733.db2.gz CKFHVIIGVKGHBB-UHFFFAOYSA-N 0 1 279.315 2.327 20 5 CEBDMN O=C([O-])c1coc(C[NH2+]Cc2cccc([N+](=O)[O-])c2)c1 ZINC000228171161 153357276 /nfs/dbraw/zinc/35/72/76/153357276.db2.gz QIRDHYJPEMHSHS-UHFFFAOYSA-N 0 1 276.248 2.176 20 5 CEBDMN O=[N+]([O-])c1cc(CN[C@H]2CCO[C@@H]2C2CC2)cs1 ZINC000230315206 153390321 /nfs/dbraw/zinc/39/03/21/153390321.db2.gz DAMMEGNQQKNVSK-CMPLNLGQSA-N 0 1 268.338 2.313 20 5 CEBDMN O=[N+]([O-])c1ccc(F)cc1CN1CC[C@](O)(C2CC2)C1 ZINC000370668452 156602263 /nfs/dbraw/zinc/60/22/63/156602263.db2.gz WKXIKCVGTNOJQS-CQSZACIVSA-N 0 1 280.299 2.081 20 5 CEBDMN O=[N+]([O-])c1cnn(CCN2CCC=C(c3ccco3)C2)c1 ZINC000285195992 196218358 /nfs/dbraw/zinc/21/83/58/196218358.db2.gz CSMUYDDYGHRRHY-UHFFFAOYSA-N 0 1 288.307 2.174 20 5 CEBDMN C[C@@H](C[N@@H+](Cc1csc([N+](=O)[O-])c1)C1CC1)C(=O)[O-] ZINC000566743112 299020112 /nfs/dbraw/zinc/02/01/12/299020112.db2.gz HHEYFPXRJRTSIF-QMMMGPOBSA-N 0 1 284.337 2.341 20 5 CEBDMN Cc1[nH]nc2cc(NC(=O)c3ccc([N+](=O)[O-])[nH]3)ccc12 ZINC000354999158 227299583 /nfs/dbraw/zinc/29/95/83/227299583.db2.gz HXZMWFJTAWGPKJ-UHFFFAOYSA-N 0 1 285.263 2.360 20 5 CEBDMN Cc1cccnc1NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356058255 228103950 /nfs/dbraw/zinc/10/39/50/228103950.db2.gz KOZQSGYRTHOXAZ-UHFFFAOYSA-N 0 1 273.248 2.256 20 5 CEBDMN C[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])[C@H]1CC2CCC1CC2 ZINC000519171946 265356654 /nfs/dbraw/zinc/35/66/54/265356654.db2.gz QAHCIGGWFCLUHM-IDWGSYCQSA-N 0 1 292.339 2.263 20 5 CEBDMN Cc1nc([C@@H](C)N[C@@H](C)c2ccccc2[N+](=O)[O-])n[nH]1 ZINC000392378304 270340560 /nfs/dbraw/zinc/34/05/60/270340560.db2.gz QDOLVGFPVGMTBU-DTWKUNHWSA-N 0 1 275.312 2.433 20 5 CEBDMN CC[C@@H](C)CNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000421918321 270684957 /nfs/dbraw/zinc/68/49/57/270684957.db2.gz PFPWJMFLKCMYOV-MRVPVSSYSA-N 0 1 252.270 2.076 20 5 CEBDMN COc1cc([N+](=O)[O-])ccc1CN1CCCC[C@H]1[C@@H](C)O ZINC000430219849 271363318 /nfs/dbraw/zinc/36/33/18/271363318.db2.gz NZZDXMDQTAKUKU-RISCZKNCSA-N 0 1 294.351 2.339 20 5 CEBDMN COc1cc([N+](=O)[O-])ccc1CN(C)C[C@H]1CCC[C@@H]1O ZINC000430207698 271363432 /nfs/dbraw/zinc/36/34/32/271363432.db2.gz RIYPLCKAAXHACC-RISCZKNCSA-N 0 1 294.351 2.196 20 5 CEBDMN COc1cc(N2CCN(C(C)C)CC2)c([N+](=O)[O-])cc1F ZINC000268263569 274096767 /nfs/dbraw/zinc/09/67/67/274096767.db2.gz ZRSUXGQBXCGZCR-UHFFFAOYSA-N 0 1 297.330 2.273 20 5 CEBDMN CSC[C@H](O)CN(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000188179759 274178165 /nfs/dbraw/zinc/17/81/65/274178165.db2.gz QIGYBASZYBZHAU-CQSZACIVSA-N 0 1 296.392 2.283 20 5 CEBDMN C[C@@H]1CN(C)[C@@H](C)CN1Cc1c(F)cccc1[N+](=O)[O-] ZINC000351929094 288100008 /nfs/dbraw/zinc/10/00/08/288100008.db2.gz XEQNQIWSLNUGHY-WDEREUQCSA-N 0 1 281.331 2.258 20 5 CEBDMN CC[C@H](O)CN(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000135235374 280040128 /nfs/dbraw/zinc/04/01/28/280040128.db2.gz YGJIVCXKNDRKPO-ZDUSSCGKSA-N 0 1 264.325 2.330 20 5 CEBDMN Cc1cn[nH]c1CN1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000356537735 280281939 /nfs/dbraw/zinc/28/19/39/280281939.db2.gz ZWUBHUQRMFRCJT-UHFFFAOYSA-N 0 1 288.307 2.021 20 5 CEBDMN CC[C@@H]1CCN1C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000347610902 280315205 /nfs/dbraw/zinc/31/52/05/280315205.db2.gz JMCHEHMPHKNBMN-MRVPVSSYSA-N 0 1 266.301 2.066 20 5 CEBDMN CC[N@H+]1CC[C@@H](N(C)c2ncc([N+](=O)[O-])s2)[C@@H](C)C1 ZINC000249278194 280390762 /nfs/dbraw/zinc/39/07/62/280390762.db2.gz LUVCGCWYJSNYRU-VHSXEESVSA-N 0 1 284.385 2.218 20 5 CEBDMN CC(C)(C)c1nc(Cn2cc([N+](=O)[O-])c(C3CC3)n2)n[nH]1 ZINC000430992933 281284793 /nfs/dbraw/zinc/28/47/93/281284793.db2.gz VTTACWDAWXAWSL-UHFFFAOYSA-N 0 1 290.327 2.133 20 5 CEBDMN CCN(C)C(=O)[C@@H](C)N[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000530385864 298068026 /nfs/dbraw/zinc/06/80/26/298068026.db2.gz WSJWOUJKJGMUSA-VXGBXAGGSA-N 0 1 293.367 2.421 20 5 CEBDMN C[C@@H](NCC(=O)N(C)CC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000180400049 312767350 /nfs/dbraw/zinc/76/73/50/312767350.db2.gz JFBCUUQONISJEM-LLVKDONJSA-N 0 1 291.351 2.114 20 5 CEBDMN O=[N+]([O-])c1cnn(CCN2CCC[C@@H]2c2ccccn2)c1 ZINC000530724442 313305201 /nfs/dbraw/zinc/30/52/01/313305201.db2.gz KFUJUACTZJYMSX-CQSZACIVSA-N 0 1 287.323 2.023 20 5 CEBDMN O=C(Nc1ccc(F)cc1O)c1ccc([N+](=O)[O-])cn1 ZINC000532012663 313337251 /nfs/dbraw/zinc/33/72/51/313337251.db2.gz HKDPRMAGKJEQAP-UHFFFAOYSA-N 0 1 277.211 2.087 20 5 CEBDMN O=[N+]([O-])c1ccccc1OCC[N@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000577606687 314394592 /nfs/dbraw/zinc/39/45/92/314394592.db2.gz GSLDUBVNJRWICV-OCCSQVGLSA-N 0 1 292.335 2.084 20 5 CEBDMN C[C@@H]1CC[C@@H](C(=O)[O-])C[N@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000396961001 329318708 /nfs/dbraw/zinc/31/87/08/329318708.db2.gz BSXHZGYYCVRRMW-MWLCHTKSSA-N 0 1 296.298 2.419 20 5 CEBDMN C[C@H]1CC[C@H](C(=O)[O-])C[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000397492192 329357146 /nfs/dbraw/zinc/35/71/46/329357146.db2.gz MQVLUBIEGNQLGY-JQWIXIFHSA-N 0 1 278.308 2.280 20 5 CEBDMN Cc1nc([C@@H](C)N(C)CCc2ccccc2[N+](=O)[O-])n[nH]1 ZINC000411723521 534535146 /nfs/dbraw/zinc/53/51/46/534535146.db2.gz SNZMIXVPPZQWOS-SNVBAGLBSA-N 0 1 289.339 2.257 20 5 CEBDMN CCc1[nH]nc(C(=O)N(C)Cc2cccs2)c1[N+](=O)[O-] ZINC000264169904 535998098 /nfs/dbraw/zinc/99/80/98/535998098.db2.gz LLXKUVNNOFWALT-UHFFFAOYSA-N 0 1 294.336 2.214 20 5 CEBDMN CC[C@](C)(CC(=O)OC)NCc1csc([N+](=O)[O-])c1 ZINC000748241574 574437939 /nfs/dbraw/zinc/43/79/39/574437939.db2.gz AETIERQXNOEKQW-GFCCVEGCSA-N 0 1 286.353 2.478 20 5 CEBDMN O=[N+]([O-])c1ncccc1NCc1n[nH]c(-c2ccccc2)n1 ZINC000728911092 574473604 /nfs/dbraw/zinc/47/36/04/574473604.db2.gz PCYJPSMUPDFBEN-UHFFFAOYSA-N 0 1 296.290 2.387 20 5 CEBDMN O=[N+]([O-])c1ncccc1NCc1nc(-c2ccccc2)n[nH]1 ZINC000728911092 574473605 /nfs/dbraw/zinc/47/36/05/574473605.db2.gz PCYJPSMUPDFBEN-UHFFFAOYSA-N 0 1 296.290 2.387 20 5 CEBDMN O=[N+]([O-])c1cccc([C@H](O)CNCc2ccco2)c1 ZINC000749644391 575228521 /nfs/dbraw/zinc/22/85/21/575228521.db2.gz FFHFLWMZGIHPKV-CYBMUJFWSA-N 0 1 262.265 2.011 20 5 CEBDMN C[C@H](C[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)C1CC1)C(=O)[O-] ZINC000827449661 601305445 /nfs/dbraw/zinc/30/54/45/601305445.db2.gz NJPDHRLYUHAPOR-SECBINFHSA-N 0 1 296.298 2.419 20 5 CEBDMN C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](NC(=O)[O-])C1 ZINC000825638027 604035799 /nfs/dbraw/zinc/03/57/99/604035799.db2.gz JCONEZHBSUBVIQ-WDEREUQCSA-N 0 1 293.323 2.388 20 5 CEBDMN C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](NC(=O)[O-])C1 ZINC000825638027 604035803 /nfs/dbraw/zinc/03/58/03/604035803.db2.gz JCONEZHBSUBVIQ-WDEREUQCSA-N 0 1 293.323 2.388 20 5 CEBDMN CCN(CC)Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000891438080 623651442 /nfs/dbraw/zinc/65/14/42/623651442.db2.gz DSNGNKHODMZIBE-UHFFFAOYSA-N 0 1 254.286 2.151 20 5 CEBDMN CC(C)N1CCN(Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000051536037 624440265 /nfs/dbraw/zinc/44/02/65/624440265.db2.gz WHYNSGMKKRQJCV-UHFFFAOYSA-N 0 1 281.331 2.260 20 5 CEBDMN CCCNc1ccccc1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000840416167 634647545 /nfs/dbraw/zinc/64/75/45/634647545.db2.gz KGYWHEXQMVZXSZ-BXKDBHETSA-N 0 1 263.297 2.112 20 5 CEBDMN Cc1nc(COC(=O)c2c(Cl)cccc2[N+](=O)[O-])n[nH]1 ZINC000795393565 629537510 /nfs/dbraw/zinc/53/75/10/629537510.db2.gz BDHRSYOOTPLZMF-UHFFFAOYSA-N 0 1 296.670 2.032 20 5 CEBDMN Cc1cnc(N2CCN(C)[C@@H](C(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC000895100943 629897145 /nfs/dbraw/zinc/89/71/45/629897145.db2.gz GBDZGDFLYHSUKM-CYBMUJFWSA-N 0 1 292.383 2.465 20 5 CEBDMN Cc1cc(N[C@@H](C)[C@@H]2CN(C)CCN2C)c([N+](=O)[O-])s1 ZINC000895247118 630060113 /nfs/dbraw/zinc/06/01/13/630060113.db2.gz SXTNWBLUOXWZPY-JQWIXIFHSA-N 0 1 298.412 2.011 20 5 CEBDMN CC1=NO[C@@H](CNC/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000895310468 630098669 /nfs/dbraw/zinc/09/86/69/630098669.db2.gz HVKRJPUVHIPZTA-DIECRNLCSA-N 0 1 275.308 2.362 20 5 CEBDMN COC(=O)[C@@H]1CC[C@H](NCc2csc([N+](=O)[O-])c2)C1 ZINC000896125084 630473948 /nfs/dbraw/zinc/47/39/48/630473948.db2.gz LYHLWMBJGICRPW-ZJUUUORDSA-N 0 1 284.337 2.088 20 5 CEBDMN CC(C)[C@@H](C(=O)OCCc1ccc([N+](=O)[O-])cc1)N(C)C ZINC000798855611 630941187 /nfs/dbraw/zinc/94/11/87/630941187.db2.gz RILUKJBTIMROOD-AWEZNQCLSA-N 0 1 294.351 2.267 20 5 CEBDMN CN1CCC[C@@H]1CNc1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000804376948 631671536 /nfs/dbraw/zinc/67/15/36/631671536.db2.gz NXEWQGPJKBAOPT-SECBINFHSA-N 0 1 280.284 2.009 20 5 CEBDMN Cc1nc([C@H](C)OC(=O)c2cc([N+](=O)[O-])ccc2F)n[nH]1 ZINC000840207214 632267344 /nfs/dbraw/zinc/26/73/44/632267344.db2.gz CXXZVTKVHCFTEU-LURJTMIESA-N 0 1 294.242 2.078 20 5 CEBDMN CCN(Cn1ncc2cc([N+](=O)[O-])ccc21)[C@H]1CCOC1 ZINC000812298418 632504565 /nfs/dbraw/zinc/50/45/65/632504565.db2.gz MLXBPGXLGMWUBO-ZDUSSCGKSA-N 0 1 290.323 2.013 20 5 CEBDMN CCN(C[C@H](C)OC)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000812301506 632505687 /nfs/dbraw/zinc/50/56/87/632505687.db2.gz ILXIWENFCAAVQL-NSHDSACASA-N 0 1 292.339 2.259 20 5 CEBDMN C[C@H](C(=O)NOC1CCC1)c1ccc([N+](=O)[O-])cc1F ZINC000812792436 632581423 /nfs/dbraw/zinc/58/14/23/632581423.db2.gz ZYQAIZGHQBDEEW-QMMMGPOBSA-N 0 1 282.271 2.438 20 5 CEBDMN C[C@@H]1C[C@@H]1[C@H]1C[C@H]1CNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000899405919 632835708 /nfs/dbraw/zinc/83/57/08/632835708.db2.gz QXNLFVDEYWYLLE-WNIABHAQSA-N 0 1 290.319 2.322 20 5 CEBDMN Cc1ccc(C=Cc2n[nH]c(SCC[N+](=O)[O-])n2)o1 ZINC000899866615 633061388 /nfs/dbraw/zinc/06/13/88/633061388.db2.gz PKBAJHZCQDIPEU-SNAWJCMRSA-N 0 1 280.309 2.245 20 5 CEBDMN O=[N+]([O-])c1cnn(CN2CC[C@H](C3CCCC3)C2)c1 ZINC000817368849 633642152 /nfs/dbraw/zinc/64/21/52/633642152.db2.gz MTEGHOPHHUJMKA-LBPRGKRZSA-N 0 1 264.329 2.261 20 5 CEBDMN C[N@@H+](Cc1cccnc1[N+](=O)[O-])C1(C(=O)[O-])CCCCC1 ZINC000903609127 635176704 /nfs/dbraw/zinc/17/67/04/635176704.db2.gz UHWQEJWTUHBQOV-UHFFFAOYSA-N 0 1 293.323 2.209 20 5 CEBDMN Cn1nc(C2CC2)cc1CNCc1ccc([N+](=O)[O-])cc1 ZINC000824085323 635344069 /nfs/dbraw/zinc/34/40/69/635344069.db2.gz MCRRJOPQHMMSAR-UHFFFAOYSA-N 0 1 286.335 2.496 20 5 CEBDMN COc1ccc2cc(CNCC[N+](=O)[O-])ccc2c1 ZINC000905023993 635792003 /nfs/dbraw/zinc/79/20/03/635792003.db2.gz GZIUIDZEOXZTDE-UHFFFAOYSA-N 0 1 260.293 2.215 20 5 CEBDMN CN(Cc1cn(-c2ccc([N+](=O)[O-])cc2)nn1)C(C)(C)C ZINC000905057345 635804259 /nfs/dbraw/zinc/80/42/59/635804259.db2.gz BJCZBVNEAGMLCC-UHFFFAOYSA-N 0 1 289.339 2.406 20 5 CEBDMN CC(C)NCc1cn([C@H](C)c2cccc([N+](=O)[O-])c2)nn1 ZINC000905790123 636460206 /nfs/dbraw/zinc/46/02/06/636460206.db2.gz ZFYWOQKYECJWHW-LLVKDONJSA-N 0 1 289.339 2.294 20 5 CEBDMN CCSc1ccccc1CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000830912758 637197295 /nfs/dbraw/zinc/19/72/95/637197295.db2.gz ZALUVDNLSVWASC-VXGBXAGGSA-N 0 1 294.376 2.123 20 5 CEBDMN C[C@@]1(CNCc2cc([N+](=O)[O-])ccc2Cl)CCC(=O)N1 ZINC000835059866 638043001 /nfs/dbraw/zinc/04/30/01/638043001.db2.gz FQOFNBFZLCZKLW-ZDUSSCGKSA-N 0 1 297.742 2.007 20 5 CEBDMN CO[C@H]1C[C@H](OC(=O)c2ccc([N+](=O)[O-])[nH]2)C12CCC2 ZINC000835884455 638444123 /nfs/dbraw/zinc/44/41/23/638444123.db2.gz OKBNBMGIDJZYRX-UWVGGRQHSA-N 0 1 280.280 2.037 20 5 CEBDMN O=C(CCOCC1CC1)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837564035 639284641 /nfs/dbraw/zinc/28/46/41/639284641.db2.gz GEAARUFYGJJDRI-UHFFFAOYSA-N 0 1 295.291 2.160 20 5 CEBDMN C[C@@H]1C[C@@H](C)[C@H](C(=O)OCc2cc(O)ccc2[N+](=O)[O-])O1 ZINC000837703581 639350430 /nfs/dbraw/zinc/35/04/30/639350430.db2.gz GWJJJJPUEGIJRF-JRKPZEMJSA-N 0 1 295.291 2.157 20 5 CEBDMN Cc1ccc(C)c(OCCCOC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC000840673218 639520965 /nfs/dbraw/zinc/52/09/65/639520965.db2.gz ULUYNESKEYKBSY-CHWSQXEVSA-N 0 1 293.319 2.281 20 5 CEBDMN C[C@@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])c1c(F)cccc1F ZINC000840672643 639521740 /nfs/dbraw/zinc/52/17/40/639521740.db2.gz KHFXLFCENQMXJJ-BRDIYROLSA-N 0 1 271.219 2.234 20 5 CEBDMN C[C@@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccc2c(c1)CCC2 ZINC000840675338 639521769 /nfs/dbraw/zinc/52/17/69/639521769.db2.gz WZYNJANMPKPMMN-OWYVNGRQSA-N 0 1 275.304 2.445 20 5 CEBDMN CC(=O)OC1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000153242656 640438292 /nfs/dbraw/zinc/43/82/92/640438292.db2.gz XCCBJMKWXDGMSZ-UHFFFAOYSA-N 0 1 278.308 2.122 20 5 CEBDMN CC[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1csc(C)c1 ZINC000843732627 640513505 /nfs/dbraw/zinc/51/35/05/640513505.db2.gz GAEOXPGSIXLVCJ-GMTAPVOTSA-N 0 1 268.338 2.289 20 5 CEBDMN CC(C)[C@H](C)N(C)Cn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000915208465 640529257 /nfs/dbraw/zinc/52/92/57/640529257.db2.gz NJWFUKSDWMKWBV-JTQLQIEISA-N 0 1 293.323 2.437 20 5 CEBDMN O=[N+]([O-])c1ccnn1CN1CCC[C@@H]1C1CCCC1 ZINC000917620135 640906005 /nfs/dbraw/zinc/90/60/05/640906005.db2.gz IYMBPWSUMRHLFA-GFCCVEGCSA-N 0 1 264.329 2.403 20 5 CEBDMN O=C(OC[C@@H]1C[C@H]1c1ccc(F)cc1)[C@@H]1CC1[N+](=O)[O-] ZINC000851439461 643015833 /nfs/dbraw/zinc/01/58/33/643015833.db2.gz HCBOKNQBSVKLLM-FTYKPCCVSA-N 0 1 279.267 2.138 20 5 CEBDMN CCc1ccc(C(=O)O[C@H](C)c2nnc[nH]2)cc1[N+](=O)[O-] ZINC000853221574 643708463 /nfs/dbraw/zinc/70/84/63/643708463.db2.gz WFLWFGHOSFLKMV-MRVPVSSYSA-N 0 1 290.279 2.193 20 5 CEBDMN Cc1ccc(CCCNC(=O)[C@@H]2CC2[N+](=O)[O-])c(C)c1 ZINC000839471511 644236640 /nfs/dbraw/zinc/23/66/40/644236640.db2.gz YLUYOBFQFDTFBF-ZIAGYGMSSA-N 0 1 276.336 2.017 20 5 CEBDMN O=C(N[C@@H]1CC[C@H]2CCCC[C@H]2C1)[C@@H]1CC1[N+](=O)[O-] ZINC000839471455 644237031 /nfs/dbraw/zinc/23/70/31/644237031.db2.gz WFNBFYCDMMZCKL-NZEXEKPDSA-N 0 1 266.341 2.127 20 5 CEBDMN CC[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccc(F)cc1F ZINC000839687404 644773107 /nfs/dbraw/zinc/77/31/07/644773107.db2.gz DRLDXRQLFSKSDK-ADEWGFFLSA-N 0 1 284.262 2.197 20 5 CEBDMN CCC[C@H](C)[C@@H]1CCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839707106 644787169 /nfs/dbraw/zinc/78/71/69/644787169.db2.gz SAGWDFVJJJERFS-WHOHXGKFSA-N 0 1 254.330 2.079 20 5 CEBDMN CC1(C)C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])c2ccccc21 ZINC000839707234 644787301 /nfs/dbraw/zinc/78/73/01/644787301.db2.gz CZLOJDDPTAQCOD-RAIGVLPGSA-N 0 1 274.320 2.190 20 5 CEBDMN Cc1cc(F)ccc1[C@@H]1CCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839790294 644820180 /nfs/dbraw/zinc/82/01/80/644820180.db2.gz RGYCDVLWKNGEER-HZSPNIEDSA-N 0 1 292.310 2.463 20 5 CEBDMN Cc1[nH]ncc1CNC(=O)c1cc(F)cc(C)c1[N+](=O)[O-] ZINC000758453347 644932392 /nfs/dbraw/zinc/93/23/92/644932392.db2.gz SABBZGRPZAKCLC-UHFFFAOYSA-N 0 1 292.270 2.004 20 5 CEBDMN CCCN(C)c1ccccc1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000863574798 646760675 /nfs/dbraw/zinc/76/06/75/646760675.db2.gz GILNDJMULHFADC-ZWNOBZJWSA-N 0 1 277.324 2.137 20 5 CEBDMN C[C@](N)(C(=O)NCCCC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000867945644 647997564 /nfs/dbraw/zinc/99/75/64/647997564.db2.gz ZGGXXAVNJRQHEK-OAHLLOKOSA-N 0 1 291.351 2.075 20 5 CEBDMN CC(C)C[C@H](C)NC(=O)[C@@](C)(N)c1cccc([N+](=O)[O-])c1 ZINC000867979878 648009419 /nfs/dbraw/zinc/00/94/19/648009419.db2.gz PPIMSSQDWFEXNE-NHYWBVRUSA-N 0 1 293.367 2.320 20 5 CEBDMN C[C@@H](NC(=O)[C@](C)(N)c1cccc([N+](=O)[O-])c1)C(C)(C)C ZINC000867983518 648010222 /nfs/dbraw/zinc/01/02/22/648010222.db2.gz POPJVQKRNPYESK-MEBBXXQBSA-N 0 1 293.367 2.320 20 5 CEBDMN Nc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc2nc[nH]c2c1 ZINC000786842860 648050269 /nfs/dbraw/zinc/05/02/69/648050269.db2.gz RQKWPIXEFRLWBV-UHFFFAOYSA-N 0 1 297.274 2.306 20 5 CEBDMN CCC(N)=NOCc1cc([N+](=O)[O-])ccc1OC ZINC000871728911 649159934 /nfs/dbraw/zinc/15/99/34/649159934.db2.gz TUGZQFBXRDABOV-UHFFFAOYSA-N 0 1 253.258 2.012 20 5 CEBDMN CC[C@H](CO)N[C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872017271 649242260 /nfs/dbraw/zinc/24/22/60/649242260.db2.gz YAZVFJRXDNHTAE-DTWKUNHWSA-N 0 1 256.277 2.155 20 5 CEBDMN C[C@H](N[C@H]1C[C@@](C)(O)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872081544 649266755 /nfs/dbraw/zinc/26/67/55/649266755.db2.gz ZHWADRKKOCZMGV-MWODSPESSA-N 0 1 268.288 2.298 20 5 CEBDMN Cc1ccc([N+](=O)[O-])c(C)c1CNCc1cnn(C)c1 ZINC000873020338 649533482 /nfs/dbraw/zinc/53/34/82/649533482.db2.gz OPAYQXQYQVGFDI-UHFFFAOYSA-N 0 1 274.324 2.235 20 5 CEBDMN O=[N+]([O-])c1ccc([C@@H](O)CN2CCC(F)CC2)cc1 ZINC000880239701 651407053 /nfs/dbraw/zinc/40/70/53/651407053.db2.gz DKBVFZFDLDMOAA-ZDUSSCGKSA-N 0 1 268.288 2.062 20 5 CEBDMN Cc1ccc(CN[C@@H](C)C(=O)NC(C)(C)C)cc1[N+](=O)[O-] ZINC000131444300 652427524 /nfs/dbraw/zinc/42/75/24/652427524.db2.gz DMLLHLVUHGXXKA-NSHDSACASA-N 0 1 293.367 2.296 20 5 CEBDMN Cc1c(C)c(N2C[C@@H](C)N(C)C[C@H]2C)ncc1[N+](=O)[O-] ZINC001164642600 719210630 /nfs/dbraw/zinc/21/06/30/719210630.db2.gz WUKLWGUWUNEXQP-NXEZZACHSA-N 0 1 278.356 2.135 20 5 CEBDMN CCO[C@@H]1C[C@H](N(C)C(=O)[C@@H]2CC2[N+](=O)[O-])C1(CC)CC ZINC001126742267 806486365 /nfs/dbraw/zinc/48/63/65/806486365.db2.gz SILUGAKYPWUBCL-FVCCEPFGSA-N 0 1 298.383 2.094 20 5 CEBDMN C/C=C(/C)C(=O)N(C)CCNCc1ccccc1[N+](=O)[O-] ZINC001266671522 802828930 /nfs/dbraw/zinc/82/89/30/802828930.db2.gz SJPAFTQCLHZBMW-QCDXTXTGSA-N 0 1 291.351 2.109 20 5 CEBDMN O=[N+]([O-])c1ccc(Cl)c(CN[C@@H]2CC23CC(O)C3)c1 ZINC000724976938 803376964 /nfs/dbraw/zinc/37/69/64/803376964.db2.gz UPPLHBJCYXKEHZ-YXMLORGKSA-N 0 1 282.727 2.251 20 5 CEBDMN COC[C@@H](C)OC[C@H](C)Oc1cc(O)ccc1[N+](=O)[O-] ZINC001225490381 804885719 /nfs/dbraw/zinc/88/57/19/804885719.db2.gz HQLIYFFFKQMMGG-ZJUUUORDSA-N 0 1 285.296 2.119 20 5 CEBDMN C[C@H]1CN(Cc2ccc([N+](=O)[O-])c(F)c2)C[C@@]1(C)CO ZINC000694693882 809854565 /nfs/dbraw/zinc/85/45/65/809854565.db2.gz MPFWFOMTQVLMLV-HZMBPMFUSA-N 0 1 282.315 2.184 20 5 CEBDMN Cc1cnc(CN)n1-c1ncc(C(C)(C)C)cc1[N+](=O)[O-] ZINC001169020029 811353493 /nfs/dbraw/zinc/35/34/93/811353493.db2.gz FKSLUUHRIANWSN-UHFFFAOYSA-N 0 1 289.339 2.240 20 5 CEBDMN COc1ccc(C[C@H](C)N2CC(C)C2)c([N+](=O)[O-])c1 ZINC001170327750 812387119 /nfs/dbraw/zinc/38/71/19/812387119.db2.gz HLWFQLKNGIOYGE-NSHDSACASA-N 0 1 264.325 2.486 20 5 CEBDMN O=[N+]([O-])c1cc2ccccc2nc1N1CCN2CC[C@@H]2C1 ZINC001158435243 812706696 /nfs/dbraw/zinc/70/66/96/812706696.db2.gz WXBXTNCGLCQHKN-GFCCVEGCSA-N 0 1 284.319 2.037 20 5 CEBDMN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)Nc1cccnc1CN ZINC001173220574 815625847 /nfs/dbraw/zinc/62/58/47/815625847.db2.gz FXSOASXGNLYPJV-NSHDSACASA-N 0 1 286.335 2.492 20 5 CEBDMN CC(=O)CN(C)[C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173222752 815627928 /nfs/dbraw/zinc/62/79/28/815627928.db2.gz VHDKCIGUTHQNLB-JTQLQIEISA-N 0 1 250.298 2.047 20 5 CEBDMN COC(=O)CC1CN([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173225632 815629314 /nfs/dbraw/zinc/62/93/14/815629314.db2.gz DYZPQHMLQIMOIS-NSHDSACASA-N 0 1 292.335 2.021 20 5 CEBDMN Cc1nonc1CN[C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173213500 815637356 /nfs/dbraw/zinc/63/73/56/815637356.db2.gz HXRVMANVWNKTAR-VIFPVBQESA-N 0 1 276.296 2.007 20 5 CEBDMN O=C(Nc1ccc2cncn2c1)c1ccc([N+](=O)[O-])o1 ZINC001179304707 816848068 /nfs/dbraw/zinc/84/80/68/816848068.db2.gz WQYJTFSHSVDWQA-UHFFFAOYSA-N 0 1 272.220 2.088 20 5 CEBDMN CC[C@@H](NCc1csc([N+](=O)[O-])c1)[C@H](O)C(F)F ZINC000294959207 199270970 /nfs/dbraw/zinc/27/09/70/199270970.db2.gz DQNVOAXPRYQPLL-APPZFPTMSA-N 0 1 280.296 2.151 20 5 CEBDMN CCCNC(=O)CN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000036780801 361856329 /nfs/dbraw/zinc/85/63/29/361856329.db2.gz HGPJGYRMEMWZKL-LLVKDONJSA-N 0 1 279.340 2.080 20 5 CEBDMN CCCNC(=O)CN[C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000036780884 361856587 /nfs/dbraw/zinc/85/65/87/361856587.db2.gz BKVGLEVWPKOIFO-CYBMUJFWSA-N 0 1 279.340 2.162 20 5 CEBDMN Cc1n[nH]cc1CN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000037775634 361935980 /nfs/dbraw/zinc/93/59/80/361935980.db2.gz WIRQQOPGSJJKOA-SECBINFHSA-N 0 1 260.297 2.477 20 5 CEBDMN Cc1nn(C)cc1CN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000125526434 187189405 /nfs/dbraw/zinc/18/94/05/187189405.db2.gz UACHVVMHHUNJTC-JTQLQIEISA-N 0 1 274.324 2.488 20 5 CEBDMN CC[C@@H]1C(=O)N(c2ccc([N+](=O)[O-])cn2)N=C1C(C)C ZINC000601930722 346929526 /nfs/dbraw/zinc/92/95/26/346929526.db2.gz AURZAFITXDZIHY-JTQLQIEISA-N 0 1 276.296 2.375 20 5 CEBDMN O=[N+]([O-])c1ccc(NCCCCN2CCOCC2)s1 ZINC000048999778 343533874 /nfs/dbraw/zinc/53/38/74/343533874.db2.gz ZKHZDWBPMZLHDV-UHFFFAOYSA-N 0 1 285.369 2.181 20 5 CEBDMN CC(C)CN(C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000065961951 343704944 /nfs/dbraw/zinc/70/49/44/343704944.db2.gz PTFBNLCMGQOKOV-UHFFFAOYSA-N 0 1 279.340 2.145 20 5 CEBDMN CC[C@H](O)[C@@H]1CCCC[N@H+]1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000093321574 344219570 /nfs/dbraw/zinc/21/95/70/344219570.db2.gz ZIDPNTYQJQQZGX-GJZGRUSLSA-N 0 1 294.351 2.426 20 5 CEBDMN Cc1c(CN2CC[C@H](C)[C@H](O)C2)cccc1[N+](=O)[O-] ZINC000093334625 344220609 /nfs/dbraw/zinc/22/06/09/344220609.db2.gz HLJCOUVABXNRCN-IINYFYTJSA-N 0 1 264.325 2.106 20 5 CEBDMN Cc1cc(C[C@H](C)Nc2ncc([N+](=O)[O-])cc2C)[nH]n1 ZINC000092685754 344200806 /nfs/dbraw/zinc/20/08/06/344200806.db2.gz GNVZMCDFILXTJB-VIFPVBQESA-N 0 1 275.312 2.373 20 5 CEBDMN O=[N+]([O-])c1ccc(CNCCn2cccn2)c(Cl)c1 ZINC000049963570 362387884 /nfs/dbraw/zinc/38/78/84/362387884.db2.gz WGJYRLMEPGDIOX-UHFFFAOYSA-N 0 1 280.715 2.235 20 5 CEBDMN O=[N+]([O-])c1cc(F)cc(-c2nc([C@@H]3CCCN3)no2)c1 ZINC000228560632 344560877 /nfs/dbraw/zinc/56/08/77/344560877.db2.gz PSZKLEDSTYKLSV-JTQLQIEISA-N 0 1 278.243 2.208 20 5 CEBDMN CC[C@H](COC)NCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602552865 347074083 /nfs/dbraw/zinc/07/40/83/347074083.db2.gz YOJCQCHAQGPWOM-SECBINFHSA-N 0 1 279.296 2.251 20 5 CEBDMN CC[C@H](NCc1ccc(C(C)C)c([N+](=O)[O-])c1)C(=O)NC ZINC000449773264 282362530 /nfs/dbraw/zinc/36/25/30/282362530.db2.gz JSODOEUZQYQCAX-ZDUSSCGKSA-N 0 1 293.367 2.332 20 5 CEBDMN Cc1nc(C(C)(C)NCc2cc(O)ccc2[N+](=O)[O-])no1 ZINC000339034293 214911427 /nfs/dbraw/zinc/91/14/27/214911427.db2.gz CLLKQHRQRMPTJV-UHFFFAOYSA-N 0 1 292.295 2.017 20 5 CEBDMN O=C([O-])C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)C1CCC1 ZINC000584848919 344993602 /nfs/dbraw/zinc/99/36/02/344993602.db2.gz CCCCGANCHFXQSJ-UHFFFAOYSA-N 0 1 278.308 2.076 20 5 CEBDMN O=[N+]([O-])c1ccc(OCCCN(C2CC2)C2COC2)cc1 ZINC000590745263 345172900 /nfs/dbraw/zinc/17/29/00/345172900.db2.gz ZGXXOGBNGKIYIW-UHFFFAOYSA-N 0 1 292.335 2.227 20 5 CEBDMN Cc1cncc(CCN(C)Cc2ccccc2[N+](=O)[O-])n1 ZINC000592996768 345420520 /nfs/dbraw/zinc/42/05/20/345420520.db2.gz MBRJFBXHIPAAHE-UHFFFAOYSA-N 0 1 286.335 2.368 20 5 CEBDMN CC[C@@H]1CN(Cc2cc(O)ccc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000593061404 345431098 /nfs/dbraw/zinc/43/10/98/345431098.db2.gz KGPYSDDAGQKOJY-GXFFZTMASA-N 0 1 280.324 2.300 20 5 CEBDMN CCOc1ccc([N+](=O)[O-])cc1CN(C)[C@H](C)CCO ZINC000593107040 345440742 /nfs/dbraw/zinc/44/07/42/345440742.db2.gz FBISISSRIOPUJL-LLVKDONJSA-N 0 1 282.340 2.196 20 5 CEBDMN CCCN(C(=O)c1cccc([N+](=O)[O-])c1)[C@H]1CCN(C)C1 ZINC000592833322 345402377 /nfs/dbraw/zinc/40/23/77/345402377.db2.gz YNNWBEZSTNBHGG-AWEZNQCLSA-N 0 1 291.351 2.151 20 5 CEBDMN CO[C@H](CN(C)Cc1ccccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000595288271 345754405 /nfs/dbraw/zinc/75/44/05/345754405.db2.gz MRDPXSQBBKJWKM-UKRRQHHQSA-N 0 1 294.351 2.078 20 5 CEBDMN COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@H]1CCOC1 ZINC000595036132 345732154 /nfs/dbraw/zinc/73/21/54/345732154.db2.gz PNEKHHGCBDOFIV-UWVGGRQHSA-N 0 1 266.297 2.043 20 5 CEBDMN Cc1noc(CN2CC[C@H](c3cccnc3)C2)c1[N+](=O)[O-] ZINC000595563140 345814210 /nfs/dbraw/zinc/81/42/10/345814210.db2.gz ODKDPNKLYDSWTA-LBPRGKRZSA-N 0 1 288.307 2.276 20 5 CEBDMN CC(C)(O)[C@@H]1CCCN1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595388846 345772122 /nfs/dbraw/zinc/77/21/22/345772122.db2.gz XRVYLNJSQATBCZ-ZDUSSCGKSA-N 0 1 282.315 2.469 20 5 CEBDMN COC[C@H]1CCCCN(Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000595438273 345782580 /nfs/dbraw/zinc/78/25/80/345782580.db2.gz FMYZPKCZVWDZOZ-NSHDSACASA-N 0 1 283.328 2.140 20 5 CEBDMN CC[C@@]1(CO)CCCN1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595461588 345788898 /nfs/dbraw/zinc/78/88/98/345788898.db2.gz XOYJPACHTZLLMN-AWEZNQCLSA-N 0 1 282.315 2.471 20 5 CEBDMN CCN1CCN(Cc2ccc(F)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000595493496 345795096 /nfs/dbraw/zinc/79/50/96/345795096.db2.gz RUVIIZVUAKUXFK-NSHDSACASA-N 0 1 281.331 2.260 20 5 CEBDMN Cc1cnc(CNCCc2cccc([N+](=O)[O-])c2)o1 ZINC000602581046 347087720 /nfs/dbraw/zinc/08/77/20/347087720.db2.gz TZHJKXBSHWJQKY-UHFFFAOYSA-N 0 1 261.281 2.224 20 5 CEBDMN O=[N+]([O-])c1cc(F)ccc1CN1CC[C@@H]2COC[C@H]2C1 ZINC000595827865 345887626 /nfs/dbraw/zinc/88/76/26/345887626.db2.gz SUIOJAHTTFNZKR-VXGBXAGGSA-N 0 1 280.299 2.202 20 5 CEBDMN COc1ccc(CN2C[C@@H](C)C(O)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000595749890 345865873 /nfs/dbraw/zinc/86/58/73/345865873.db2.gz NSLPMHTUPUFOKL-GHMZBOCLSA-N 0 1 294.351 2.052 20 5 CEBDMN COc1ccc(CN2C[C@@H]3COC[C@]3(C)C2)cc1[N+](=O)[O-] ZINC000595756453 345868501 /nfs/dbraw/zinc/86/85/01/345868501.db2.gz GFULTDXRMTWBFV-DOMZBBRYSA-N 0 1 292.335 2.072 20 5 CEBDMN Cc1[nH]ncc1CNC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000351656339 219165987 /nfs/dbraw/zinc/16/59/87/219165987.db2.gz SHCZGKPGNFPMTA-UHFFFAOYSA-N 0 1 293.258 2.087 20 5 CEBDMN CN1CCC[C@H]1CNc1c(F)cccc1[N+](=O)[O-] ZINC000336788124 365808369 /nfs/dbraw/zinc/80/83/69/365808369.db2.gz OAHDFVPEXNFIGX-VIFPVBQESA-N 0 1 253.277 2.240 20 5 CEBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CC[C@H]1C(F)(F)F ZINC000597666942 346213262 /nfs/dbraw/zinc/21/32/62/346213262.db2.gz TXGXCRNBJFOKAZ-VIFPVBQESA-N 0 1 290.197 2.077 20 5 CEBDMN CC1CC(CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000598778063 346418267 /nfs/dbraw/zinc/41/82/67/346418267.db2.gz INIRMMYKEVQKKI-UHFFFAOYSA-N 0 1 264.281 2.076 20 5 CEBDMN CCO[C@@]1(C)C[C@H]1NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000598996731 346444275 /nfs/dbraw/zinc/44/42/75/346444275.db2.gz MGUKMXAJVJYEQY-KGLIPLIRSA-N 0 1 280.324 2.261 20 5 CEBDMN Cc1nc(CSCCOc2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000600567728 346655166 /nfs/dbraw/zinc/65/51/66/346655166.db2.gz CIOICZGCVZKKPZ-UHFFFAOYSA-N 0 1 294.336 2.334 20 5 CEBDMN CCc1[nH]nc(C(=O)N2CCCC3(CC3)CC2)c1[N+](=O)[O-] ZINC000600769764 346687407 /nfs/dbraw/zinc/68/74/07/346687407.db2.gz ZLFNHLNTYADRFL-UHFFFAOYSA-N 0 1 292.339 2.287 20 5 CEBDMN CCOC(=O)C1(C)CC(NCc2ccccc2[N+](=O)[O-])C1 ZINC000601266706 346806188 /nfs/dbraw/zinc/80/61/88/346806188.db2.gz DZJQAJAEHSEOFF-UHFFFAOYSA-N 0 1 292.335 2.416 20 5 CEBDMN C[C@H]1CC[C@H](CNCc2nc3cc([N+](=O)[O-])ccc3o2)O1 ZINC000602689538 347148378 /nfs/dbraw/zinc/14/83/78/347148378.db2.gz FGCICKCWNXRFDS-GXSJLCMTSA-N 0 1 291.307 2.393 20 5 CEBDMN CCCN(C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000063762075 362774872 /nfs/dbraw/zinc/77/48/72/362774872.db2.gz NMTVOKACTMDZJV-UHFFFAOYSA-N 0 1 266.297 2.303 20 5 CEBDMN Cc1ncc([N+](=O)[O-])n1CCN(C)[C@@H](C)c1ccccn1 ZINC000602801681 347205306 /nfs/dbraw/zinc/20/53/06/347205306.db2.gz YXXNAIFAZHCEJX-NSHDSACASA-N 0 1 289.339 2.188 20 5 CEBDMN Cc1noc(C)c1[C@H](C)NCCn1c(C)ncc1[N+](=O)[O-] ZINC000602805336 347206850 /nfs/dbraw/zinc/20/68/50/347206850.db2.gz KDOJTFIWXFBGAR-QMMMGPOBSA-N 0 1 293.327 2.055 20 5 CEBDMN CN[C@@H](C)c1cn([C@@H](C)c2cccc([N+](=O)[O-])c2)nn1 ZINC000603185625 347303448 /nfs/dbraw/zinc/30/34/48/347303448.db2.gz KSGYGBBUEZWXBA-UWVGGRQHSA-N 0 1 275.312 2.076 20 5 CEBDMN O=[N+]([O-])c1ncccc1NCCN1CCc2ccccc2C1 ZINC000603848000 347391708 /nfs/dbraw/zinc/39/17/08/347391708.db2.gz BLWIAQQSRLTGEP-UHFFFAOYSA-N 0 1 298.346 2.460 20 5 CEBDMN CC(C)CN1CCO[C@@H](CNc2ccsc2[N+](=O)[O-])C1 ZINC000610514343 347688026 /nfs/dbraw/zinc/68/80/26/347688026.db2.gz BTIRBBNXHMJGBZ-NSHDSACASA-N 0 1 299.396 2.425 20 5 CEBDMN Cc1cc(CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000610821110 347716545 /nfs/dbraw/zinc/71/65/45/347716545.db2.gz FDRVXFHNOYHWTF-JTQLQIEISA-N 0 1 260.297 2.477 20 5 CEBDMN Cc1cc(CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC000610821110 347716546 /nfs/dbraw/zinc/71/65/46/347716546.db2.gz FDRVXFHNOYHWTF-JTQLQIEISA-N 0 1 260.297 2.477 20 5 CEBDMN C[C@H]1CCCN1Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611271285 347761124 /nfs/dbraw/zinc/76/11/24/347761124.db2.gz FSCBMYYSSLXPSC-JTQLQIEISA-N 0 1 278.308 2.350 20 5 CEBDMN O=c1[nH]c2ccc(CNCc3ccc([N+](=O)[O-])cc3)cc2[nH]1 ZINC000612190528 347855349 /nfs/dbraw/zinc/85/53/49/347855349.db2.gz GDXNURXAOBYCBW-UHFFFAOYSA-N 0 1 298.302 2.467 20 5 CEBDMN Cc1cc(C2CCN(c3cccnc3[N+](=O)[O-])CC2)[nH]n1 ZINC000612450028 347888464 /nfs/dbraw/zinc/88/84/64/347888464.db2.gz KELHENFNMNDRED-UHFFFAOYSA-N 0 1 287.323 2.405 20 5 CEBDMN COC1(CO)CCN([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000618551336 348973570 /nfs/dbraw/zinc/97/35/70/348973570.db2.gz WKOJYSFXFQWSFV-LBPRGKRZSA-N 0 1 294.351 2.129 20 5 CEBDMN C[C@@H]1CN(Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@H](C)N1C ZINC000339619784 215272159 /nfs/dbraw/zinc/27/21/59/215272159.db2.gz QTJHTKYISLHSDQ-AOOOYVTPSA-N 0 1 299.321 2.397 20 5 CEBDMN O=[N+]([O-])c1cc(CNCCOCC(F)(F)F)cs1 ZINC000070168405 363042876 /nfs/dbraw/zinc/04/28/76/363042876.db2.gz FRYFTIGVWHRKGV-UHFFFAOYSA-N 0 1 284.259 2.325 20 5 CEBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@H](C)[C@H](C)C1 ZINC000072869474 363174081 /nfs/dbraw/zinc/17/40/81/363174081.db2.gz JTPZHLCAAKDTPL-TXEJJXNPSA-N 0 1 291.351 2.430 20 5 CEBDMN CC1(C)OCC[C@H]1NCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000451239329 282934180 /nfs/dbraw/zinc/93/41/80/282934180.db2.gz FFKZPCPXGBQUOE-GFCCVEGCSA-N 0 1 291.307 2.393 20 5 CEBDMN CC(C)O[C@@H]1C[C@@H](NCc2c([N+](=O)[O-])ncn2C)C1(C)C ZINC000451489704 283007692 /nfs/dbraw/zinc/00/76/92/283007692.db2.gz CVBHGZIALPCTHE-VXGBXAGGSA-N 0 1 296.371 2.010 20 5 CEBDMN CCO[C@@H]1COC[C@H]1N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000451945487 283149004 /nfs/dbraw/zinc/14/90/04/283149004.db2.gz UYEIVHPADDGTBR-ZLKJLUDKSA-N 0 1 280.324 2.049 20 5 CEBDMN CC(C)CNC(=O)CN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000134824738 366363204 /nfs/dbraw/zinc/36/32/04/366363204.db2.gz VSMJUUTXEPFZCU-LLVKDONJSA-N 0 1 279.340 2.018 20 5 CEBDMN O=[N+]([O-])c1ccc(COCCc2c[nH]nn2)c(Cl)c1 ZINC000577833277 366403332 /nfs/dbraw/zinc/40/33/32/366403332.db2.gz LWHZSHPTDYTBBG-UHFFFAOYSA-N 0 1 282.687 2.126 20 5 CEBDMN COc1ccc([N+](=O)[O-])c(NCc2n[nH]c(C3CC3)n2)c1 ZINC000294940411 199261726 /nfs/dbraw/zinc/26/17/26/199261726.db2.gz LEQGSSUATUISGJ-UHFFFAOYSA-N 0 1 289.295 2.211 20 5 CEBDMN O=[N+]([O-])c1ccc(O)cc1CN[C@@H](CO)c1ccsc1 ZINC000339096750 366652720 /nfs/dbraw/zinc/65/27/20/366652720.db2.gz RFIABMCAGFSODJ-LBPRGKRZSA-N 0 1 294.332 2.185 20 5 CEBDMN C[C@H]1CCC[C@@H](CO)[N@H+]1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000339040354 366627605 /nfs/dbraw/zinc/62/76/05/366627605.db2.gz BBJUCOVJXZAXSE-JQWIXIFHSA-N 0 1 280.324 2.036 20 5 CEBDMN Cc1ccc([C@@H](C)NCC2(C)OCCO2)cc1[N+](=O)[O-] ZINC000179567083 189203195 /nfs/dbraw/zinc/20/31/95/189203195.db2.gz ZQXMJTUJJRDNEX-LLVKDONJSA-N 0 1 280.324 2.317 20 5 CEBDMN O=[N+]([O-])c1cccc(Cl)c1NCCc1nc[nH]n1 ZINC000083844671 363788790 /nfs/dbraw/zinc/78/87/90/363788790.db2.gz HJXNTMROWRVFIE-UHFFFAOYSA-N 0 1 267.676 2.021 20 5 CEBDMN C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CC1(CC(=O)[O-])CC1 ZINC000580202020 366765075 /nfs/dbraw/zinc/76/50/75/366765075.db2.gz NXFZXEUTDQMBSE-UHFFFAOYSA-N 0 1 292.335 2.324 20 5 CEBDMN O=[N+]([O-])c1cnc(Nc2cnn(-c3ccccc3)c2)nc1 ZINC000302157747 201373029 /nfs/dbraw/zinc/37/30/29/201373029.db2.gz NMOGMYMUSOIDKE-UHFFFAOYSA-N 0 1 282.263 2.314 20 5 CEBDMN C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H](C(=O)[O-])C1 ZINC000086729001 363839077 /nfs/dbraw/zinc/83/90/77/363839077.db2.gz CPQJMOOYAGNRMN-JQWIXIFHSA-N 0 1 278.308 2.452 20 5 CEBDMN COCC1CCN(Cc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000112354882 364798926 /nfs/dbraw/zinc/79/89/26/364798926.db2.gz IYAHLUCNZHLDGH-UHFFFAOYSA-N 0 1 294.351 2.462 20 5 CEBDMN Cc1c(CN2CC[C@H](O)C(C)(C)C2)cccc1[N+](=O)[O-] ZINC000275489292 193057035 /nfs/dbraw/zinc/05/70/35/193057035.db2.gz PKKCYWFLNNEBFV-AWEZNQCLSA-N 0 1 278.352 2.496 20 5 CEBDMN O=C(N[C@H](c1ccccc1)C1CC1)c1n[nH]cc1[N+](=O)[O-] ZINC000159723045 366943538 /nfs/dbraw/zinc/94/35/38/366943538.db2.gz QIRVLUXCEILTGQ-GFCCVEGCSA-N 0 1 286.291 2.199 20 5 CEBDMN C[C@H](O)C(C)(C)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000161153316 367062467 /nfs/dbraw/zinc/06/24/67/367062467.db2.gz MXDSIWSMIIGPDQ-QMMMGPOBSA-N 0 1 272.732 2.497 20 5 CEBDMN CC[N@H+]1CCC[C@@H]1CNc1ccc([N+](=O)[O-])c(C)n1 ZINC000161500196 367092007 /nfs/dbraw/zinc/09/20/07/367092007.db2.gz PSFBSMVYZNKPLY-LLVKDONJSA-N 0 1 264.329 2.194 20 5 CEBDMN CC(C)(C)OC1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000162511710 367164983 /nfs/dbraw/zinc/16/49/83/367164983.db2.gz ISHPWPWUOKDZIE-UHFFFAOYSA-N 0 1 296.371 2.071 20 5 CEBDMN C[C@H](C[S@](C)=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000168173215 367348718 /nfs/dbraw/zinc/34/87/18/367348718.db2.gz HJYNPCPDKDMJKV-NTCNTBNZSA-N 0 1 290.772 2.105 20 5 CEBDMN C[C@@H]1CN(CCOc2cccc([N+](=O)[O-])c2)CCS1 ZINC000171691137 367594748 /nfs/dbraw/zinc/59/47/48/367594748.db2.gz VLNMVXMYVONSBV-LLVKDONJSA-N 0 1 282.365 2.411 20 5 CEBDMN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@H](OCCO)C1 ZINC000172300758 367712717 /nfs/dbraw/zinc/71/27/17/367712717.db2.gz JPXRDQMEHYVTRX-DOMZBBRYSA-N 0 1 294.351 2.129 20 5 CEBDMN CCN1C[C@@H](C)N(C(=O)c2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000345967342 368500399 /nfs/dbraw/zinc/50/03/99/368500399.db2.gz SBGXYGIHAAOUQJ-NWDGAFQWSA-N 0 1 291.351 2.150 20 5 CEBDMN C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@@H](C)[C@@H](O)C1 ZINC000330658909 203087273 /nfs/dbraw/zinc/08/72/73/203087273.db2.gz PIPRZNZFXLSSLT-GYSYKLTISA-N 0 1 264.325 2.359 20 5 CEBDMN Cc1c([C@H](C)N[C@@H](C)C(=O)N(C)C)cccc1[N+](=O)[O-] ZINC000189011480 369442991 /nfs/dbraw/zinc/44/29/91/369442991.db2.gz ZKWJRVNYAUJBML-QWRGUYRKSA-N 0 1 279.340 2.031 20 5 CEBDMN CCCN(C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000193673085 369969540 /nfs/dbraw/zinc/96/95/40/369969540.db2.gz COGGNPAUUVTULB-UHFFFAOYSA-N 0 1 253.258 2.345 20 5 CEBDMN O=[N+]([O-])c1ccc(NS(=O)(=O)c2ccsc2)cc1 ZINC000223747540 370270596 /nfs/dbraw/zinc/27/05/96/370270596.db2.gz LGKXURKGUMUYKS-UHFFFAOYSA-N 0 1 284.318 2.457 20 5 CEBDMN C[C@H]1CCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000331981727 204359514 /nfs/dbraw/zinc/35/95/14/204359514.db2.gz BGMSKRBRMWNEDM-JTQLQIEISA-N 0 1 278.308 2.303 20 5 CEBDMN Cc1coc(-c2cccc(NC(=O)[C@H]3C[C@@H]3[N+](=O)[O-])c2)n1 ZINC000361346528 371797996 /nfs/dbraw/zinc/79/79/96/371797996.db2.gz NDIOZUIAGBZMHQ-RYUDHWBXSA-N 0 1 287.275 2.254 20 5 CEBDMN Cc1[nH]nc(C(=O)N(Cc2ccco2)C(C)C)c1[N+](=O)[O-] ZINC000264150901 371979898 /nfs/dbraw/zinc/97/98/98/371979898.db2.gz HSMOZBRAJXIXNH-UHFFFAOYSA-N 0 1 292.295 2.270 20 5 CEBDMN CC[C@@H]1CCN(C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])C1 ZINC000269533113 372481860 /nfs/dbraw/zinc/48/18/60/372481860.db2.gz SSLKPBMIUDTUGM-SECBINFHSA-N 0 1 280.328 2.313 20 5 CEBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@H]1Cc1ccc(F)cc1 ZINC000363082656 372625578 /nfs/dbraw/zinc/62/55/78/372625578.db2.gz ADFKGMPZTQZVOJ-BFHYXJOUSA-N 0 1 292.310 2.024 20 5 CEBDMN Cc1c(C[N@@H+]2C[C@H]3CCC[C@@H](C2)C3O)cccc1[N+](=O)[O-] ZINC000369377952 373400100 /nfs/dbraw/zinc/40/01/00/373400100.db2.gz OQBNZLCDNZWQGM-MZBDJJRSSA-N 0 1 290.363 2.496 20 5 CEBDMN CCN(CC(C)C)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272507862 373524366 /nfs/dbraw/zinc/52/43/66/373524366.db2.gz FNMIJIIBCUKBDR-UHFFFAOYSA-N 0 1 266.297 2.419 20 5 CEBDMN O=[N+]([O-])c1cccc(CN2CCC[C@]23CCOC3)c1 ZINC000370735901 373731303 /nfs/dbraw/zinc/73/13/03/373731303.db2.gz DALYQRYXJYHRCE-CQSZACIVSA-N 0 1 262.309 2.350 20 5 CEBDMN O=C([C@H]1CC1[N+](=O)[O-])N1CC=C(c2ccc(F)cc2)CC1 ZINC000371435328 373882636 /nfs/dbraw/zinc/88/26/36/373882636.db2.gz CDVQFHLOBIPIGJ-UONOGXRCSA-N 0 1 290.294 2.107 20 5 CEBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@@H](c2ccccc2)CC1 ZINC000371541228 373915191 /nfs/dbraw/zinc/91/51/91/373915191.db2.gz XOGFFMVQGVOBPK-RBSFLKMASA-N 0 1 288.347 2.448 20 5 CEBDMN CCOc1cc(CN2CCC(CO)CC2)ccc1[N+](=O)[O-] ZINC000276898930 374339635 /nfs/dbraw/zinc/33/96/35/374339635.db2.gz LHKSULMOTJDIFK-UHFFFAOYSA-N 0 1 294.351 2.198 20 5 CEBDMN Cc1cccc([C@H]2C[C@H](NC(=O)[C@H]3CC3[N+](=O)[O-])C2)c1 ZINC000373738251 374412455 /nfs/dbraw/zinc/41/24/55/374412455.db2.gz VZQFEMVJKIHIIJ-XUXIUFHCSA-N 0 1 274.320 2.022 20 5 CEBDMN CCNC(=O)[C@@H](C)N[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000278204593 374750112 /nfs/dbraw/zinc/75/01/12/374750112.db2.gz HCBDDVLGJPMZFY-QMTHXVAHSA-N 0 1 291.351 2.086 20 5 CEBDMN C[C@@H]1[C@H](CO)CCN1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000385911598 375247297 /nfs/dbraw/zinc/24/72/97/375247297.db2.gz RCAHKWDARZRECY-KOLCDFICSA-N 0 1 284.743 2.451 20 5 CEBDMN C[S@@](=O)C1(CNCc2csc([N+](=O)[O-])c2)CCC1 ZINC000280523483 375231777 /nfs/dbraw/zinc/23/17/77/375231777.db2.gz BFSDISXWEYHDFN-GOSISDBHSA-N 0 1 288.394 2.047 20 5 CEBDMN CCCc1[nH]nc(C(=O)N2CCC=C(C)C2)c1[N+](=O)[O-] ZINC000280614794 375261980 /nfs/dbraw/zinc/26/19/80/375261980.db2.gz DVOOQMONCXHELX-UHFFFAOYSA-N 0 1 278.312 2.063 20 5 CEBDMN CC[C@H](CNC(=O)c1n[nH]cc1[N+](=O)[O-])CC(F)(F)F ZINC000412637179 375634338 /nfs/dbraw/zinc/63/43/38/375634338.db2.gz NKYBCLIKALYTCF-LURJTMIESA-N 0 1 294.233 2.026 20 5 CEBDMN Cc1cnn(C)c1CN(C)CCc1cccc([N+](=O)[O-])c1 ZINC000289777535 376496697 /nfs/dbraw/zinc/49/66/97/376496697.db2.gz RFDSBPMLLQJIDV-UHFFFAOYSA-N 0 1 288.351 2.311 20 5 CEBDMN Cc1cn[nH]c1CN(C)Cc1ccccc1[N+](=O)[O-] ZINC000290432645 376777439 /nfs/dbraw/zinc/77/74/39/376777439.db2.gz NDOVNBGOHUJLJY-UHFFFAOYSA-N 0 1 260.297 2.258 20 5 CEBDMN CC[C@]1(CO)CCC[N@H+]1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000330457985 377141943 /nfs/dbraw/zinc/14/19/43/377141943.db2.gz RBVLDJWALUOMAW-CQSZACIVSA-N 0 1 280.324 2.037 20 5 CEBDMN Cc1c(CN2CCSC[C@H]2CCO)cccc1[N+](=O)[O-] ZINC000330955323 377213402 /nfs/dbraw/zinc/21/34/02/377213402.db2.gz GZNJWJZIRCZJEQ-CYBMUJFWSA-N 0 1 296.392 2.203 20 5 CEBDMN CCOc1cc(CN2CCN(C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000331191786 377321494 /nfs/dbraw/zinc/32/14/94/377321494.db2.gz WGHNLASNTQNGBJ-LBPRGKRZSA-N 0 1 293.367 2.129 20 5 CEBDMN O=C(N[C@@H]1CC[C@H]2CCCC[C@H]2C1)c1n[nH]cc1[N+](=O)[O-] ZINC000332150362 377529241 /nfs/dbraw/zinc/52/92/41/377529241.db2.gz LMAHIVPXYFFUKH-OUAUKWLOSA-N 0 1 292.339 2.407 20 5 CEBDMN Cc1[nH]nc(C(=O)N2CCCC[C@@H]2C(C)C)c1[N+](=O)[O-] ZINC000265332593 190175014 /nfs/dbraw/zinc/17/50/14/190175014.db2.gz MWHPOZFFRPWIGJ-SNVBAGLBSA-N 0 1 280.328 2.277 20 5 CEBDMN COc1ccc(OCCN2C[C@H](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000293525727 377609392 /nfs/dbraw/zinc/60/93/92/377609392.db2.gz WLJDMPXEMFQDJW-QWRGUYRKSA-N 0 1 280.324 2.322 20 5 CEBDMN C[C@H](N[C@@H]1CCN(C2CC2)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000451108177 378710396 /nfs/dbraw/zinc/71/03/96/378710396.db2.gz VWSVYAPOEHSQRG-IINYFYTJSA-N 0 1 289.335 2.009 20 5 CEBDMN CCc1[nH]nc(C(=O)N2[C@H](CC)CC[C@@H]2C)c1[N+](=O)[O-] ZINC000278473010 194000771 /nfs/dbraw/zinc/00/07/71/194000771.db2.gz UEBVQVKGYQASSB-DTWKUNHWSA-N 0 1 280.328 2.283 20 5 CEBDMN O=[N+]([O-])c1ccn(CCN2CCC[C@@H]2c2cccnc2)n1 ZINC000346977813 218075466 /nfs/dbraw/zinc/07/54/66/218075466.db2.gz LDPFZWFBHUAACM-CYBMUJFWSA-N 0 1 287.323 2.023 20 5 CEBDMN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@@H](C)C1 ZINC000299590751 379057216 /nfs/dbraw/zinc/05/72/16/379057216.db2.gz DUZDAKZYFPHRKM-GHMZBOCLSA-N 0 1 277.324 2.264 20 5 CEBDMN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@@H](C)C1 ZINC000299590755 379058548 /nfs/dbraw/zinc/05/85/48/379058548.db2.gz DUZDAKZYFPHRKM-MNOVXSKESA-N 0 1 277.324 2.264 20 5 CEBDMN CCc1[nH]nc(C(=O)N2C[C@H](C)CC2(C)C)c1[N+](=O)[O-] ZINC000278666603 194091383 /nfs/dbraw/zinc/09/13/83/194091383.db2.gz SJOJGRPEGHQFAD-MRVPVSSYSA-N 0 1 280.328 2.141 20 5 CEBDMN C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@H](C)C1 ZINC000299679633 379105342 /nfs/dbraw/zinc/10/53/42/379105342.db2.gz VAELHMOLQHHGRP-QWRGUYRKSA-N 0 1 277.324 2.264 20 5 CEBDMN C[C@H]1CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])[C@H]1C(=O)[O-] ZINC000300295792 379161809 /nfs/dbraw/zinc/16/18/09/379161809.db2.gz RGXSNJSRUCTUJD-GXFFZTMASA-N 0 1 278.308 2.280 20 5 CEBDMN CCN1C[C@H](C)N(c2ncc([N+](=O)[O-])cc2F)C[C@@H]1C ZINC000517709046 379375141 /nfs/dbraw/zinc/37/51/41/379375141.db2.gz HILDBKZIPLTMJW-UWVGGRQHSA-N 0 1 282.319 2.048 20 5 CEBDMN COc1ccc(CNCc2ccn(C)c2)cc1[N+](=O)[O-] ZINC000267088825 190303000 /nfs/dbraw/zinc/30/30/00/190303000.db2.gz MCGRTHNURXANDN-UHFFFAOYSA-N 0 1 275.308 2.232 20 5 CEBDMN CCN(Cc1ccccc1[N+](=O)[O-])C[C@H](C)OC ZINC000272869900 285119147 /nfs/dbraw/zinc/11/91/47/285119147.db2.gz ZHBGCDXFBRETHU-NSHDSACASA-N 0 1 252.314 2.452 20 5 CEBDMN COc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H](CO)[C@H]1C ZINC000412089609 533218156 /nfs/dbraw/zinc/21/81/56/533218156.db2.gz TULQPDAVYFMSQK-NEPJUHHUSA-N 0 1 294.351 2.196 20 5 CEBDMN Cc1ccc(CN2C[C@H](O)CC[C@H]2C)cc1[N+](=O)[O-] ZINC000421370273 394514237 /nfs/dbraw/zinc/51/42/37/394514237.db2.gz IDLPRKODZNUAAI-DGCLKSJQSA-N 0 1 264.325 2.248 20 5 CEBDMN Cc1ccc([C@H](C)N[C@H](C)C(=O)NC(C)C)cc1[N+](=O)[O-] ZINC000228938616 394477185 /nfs/dbraw/zinc/47/71/85/394477185.db2.gz JPIDIDMPCWSNEW-NWDGAFQWSA-N 0 1 293.367 2.467 20 5 CEBDMN O=C(Nc1ccc(F)cc1O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356801323 394618253 /nfs/dbraw/zinc/61/82/53/394618253.db2.gz ILIWWVZXOPBELE-UHFFFAOYSA-N 0 1 292.222 2.397 20 5 CEBDMN Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCCC[C@@H]1C(=O)[O-] ZINC000263422361 394629037 /nfs/dbraw/zinc/62/90/37/394629037.db2.gz PGHJWVOENPCRJV-CYBMUJFWSA-N 0 1 278.308 2.342 20 5 CEBDMN Cc1cc(C)c([N+](=O)[O-])c(N2CCN(C)[C@H](C)[C@@H]2C)n1 ZINC000359095870 394741221 /nfs/dbraw/zinc/74/12/21/394741221.db2.gz KKLJFUTYOIMMAU-NEPJUHHUSA-N 0 1 278.356 2.135 20 5 CEBDMN Cc1cc(C)c([N+](=O)[O-])c(N2CCN(C)[C@H](C)[C@H]2C)n1 ZINC000359095873 394741458 /nfs/dbraw/zinc/74/14/58/394741458.db2.gz KKLJFUTYOIMMAU-VXGBXAGGSA-N 0 1 278.356 2.135 20 5 CEBDMN Cc1cc([N+](=O)[O-])ccc1CN(C)[C@@H]1CCOC1 ZINC000273448066 394788418 /nfs/dbraw/zinc/78/84/18/394788418.db2.gz OFALYGXUNTWWES-CYBMUJFWSA-N 0 1 250.298 2.124 20 5 CEBDMN CCOCC[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285190356 394954635 /nfs/dbraw/zinc/95/46/35/394954635.db2.gz CIWGHOYYOQPUKJ-UHFFFAOYSA-N 0 1 252.314 2.106 20 5 CEBDMN O=[N+]([O-])c1ccccc1CN(CCn1ccnc1)C1CC1 ZINC000132642805 394934741 /nfs/dbraw/zinc/93/47/41/394934741.db2.gz AMSVUHUMCAAQJB-UHFFFAOYSA-N 0 1 286.335 2.456 20 5 CEBDMN CC[C@H](C)N(CC(=O)OC)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339153693 394946538 /nfs/dbraw/zinc/94/65/38/394946538.db2.gz JEANOEXQEYDIRI-JTQLQIEISA-N 0 1 296.323 2.074 20 5 CEBDMN O=[N+]([O-])c1cc(F)ccc1N[C@H]1CCc2[nH]cnc2C1 ZINC000370859741 395019451 /nfs/dbraw/zinc/01/94/51/395019451.db2.gz FNXIVWBIOCRGEW-VIFPVBQESA-N 0 1 276.271 2.426 20 5 CEBDMN CC(C)[C@H](CCO)NCc1c(F)cc([N+](=O)[O-])cc1F ZINC000285642660 394960592 /nfs/dbraw/zinc/96/05/92/394960592.db2.gz OCDKDAGNLYTVJM-ZDUSSCGKSA-N 0 1 288.294 2.370 20 5 CEBDMN CCN1CCN(c2nc(C)cc(C)c2[N+](=O)[O-])[C@@H](C)C1 ZINC000343270328 395035024 /nfs/dbraw/zinc/03/50/24/395035024.db2.gz LYAXDLJFEMPCJN-LBPRGKRZSA-N 0 1 278.356 2.137 20 5 CEBDMN COC(=O)C[C@@H](C)SCc1cc(O)ccc1[N+](=O)[O-] ZINC000436477547 395119530 /nfs/dbraw/zinc/11/95/30/395119530.db2.gz YPEDRJIVGGOVRL-MRVPVSSYSA-N 0 1 285.321 2.485 20 5 CEBDMN C[C@H]1CN(C)CCN1c1ccc(Cl)cc1[N+](=O)[O-] ZINC000349215865 395161255 /nfs/dbraw/zinc/16/12/55/395161255.db2.gz JEPYERFGISALJF-VIFPVBQESA-N 0 1 269.732 2.389 20 5 CEBDMN CC[C@H](N[C@@H]1CCCN(C)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000351917083 395239870 /nfs/dbraw/zinc/23/98/70/395239870.db2.gz LGQBAPIVSGJJAV-UONOGXRCSA-N 0 1 291.351 2.256 20 5 CEBDMN Cc1cc(N[C@H]2C[C@@H](O)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000295488905 395295130 /nfs/dbraw/zinc/29/51/30/395295130.db2.gz ZDXQVRCUVGGJPG-JGZJWPJOSA-N 0 1 273.292 2.387 20 5 CEBDMN Cn1nccc1CN[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192657548 395390303 /nfs/dbraw/zinc/39/03/03/395390303.db2.gz HLJPZNAJFGRPBG-HNNXBMFYSA-N 0 1 286.335 2.496 20 5 CEBDMN CC[C@@H]1[C@H](CO)CCN1Cc1c(F)cccc1[N+](=O)[O-] ZINC000451256075 395599822 /nfs/dbraw/zinc/59/98/22/395599822.db2.gz OIUBJVKTVCVFBP-GXFFZTMASA-N 0 1 282.315 2.327 20 5 CEBDMN CC[C@@H](C)N(C)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000195526114 153291037 /nfs/dbraw/zinc/29/10/37/153291037.db2.gz BHFSFYHRKKDLQS-MRVPVSSYSA-N 0 1 276.296 2.342 20 5 CEBDMN CC(C)NC(=O)[C@H](C)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000228943523 153370590 /nfs/dbraw/zinc/37/05/90/153370590.db2.gz CVWPAHNPRDIPAA-MNOVXSKESA-N 0 1 279.340 2.159 20 5 CEBDMN O=[N+]([O-])c1cnn(CCNCc2ccsc2Cl)c1 ZINC000359689569 155111490 /nfs/dbraw/zinc/11/14/90/155111490.db2.gz SXRFHGANEWYPAE-UHFFFAOYSA-N 0 1 286.744 2.296 20 5 CEBDMN Cc1ccc([C@@H]2CCCN2C(=O)[C@H]2CC2[N+](=O)[O-])cc1 ZINC000363210067 156011570 /nfs/dbraw/zinc/01/15/70/156011570.db2.gz ABUFGGHSULYELF-MELADBBJSA-N 0 1 274.320 2.324 20 5 CEBDMN COc1cc([N+](=O)[O-])ccc1CN1CCC[C@@](C)(O)CC1 ZINC000366756754 156080071 /nfs/dbraw/zinc/08/00/71/156080071.db2.gz LINVRVZYWVPLHL-OAHLLOKOSA-N 0 1 294.351 2.340 20 5 CEBDMN CN(Cc1ccccc1[N+](=O)[O-])C[C@@H](O)C(C)(C)C ZINC000284328108 196031354 /nfs/dbraw/zinc/03/13/54/196031354.db2.gz QEYYYICWUZGCMC-CYBMUJFWSA-N 0 1 266.341 2.434 20 5 CEBDMN Cc1c([C@@H](C)NCc2ccc([N+](=O)[O-])cc2)cnn1C ZINC000035274483 172094283 /nfs/dbraw/zinc/09/42/83/172094283.db2.gz AWTWIBZBAXADFT-SNVBAGLBSA-N 0 1 274.324 2.488 20 5 CEBDMN C[C@@H]1COCC[C@H]1NCc1c(F)cc([N+](=O)[O-])cc1F ZINC000285446459 196287467 /nfs/dbraw/zinc/28/74/67/196287467.db2.gz XSMXNFPALRWHQB-AMIZOPFISA-N 0 1 286.278 2.388 20 5 CEBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(c2ccccc2)CC1 ZINC000044466592 175177674 /nfs/dbraw/zinc/17/76/74/175177674.db2.gz PVSAMNWBKVRQPM-ZIAGYGMSSA-N 0 1 274.320 2.058 20 5 CEBDMN O=C([O-])c1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)o1 ZINC000071396011 176149703 /nfs/dbraw/zinc/14/97/03/176149703.db2.gz JGTLATHZYGOPGC-UHFFFAOYSA-N 0 1 276.248 2.176 20 5 CEBDMN COc1cc([N+](=O)[O-])ccc1CN1CC[C@@H](C)[C@@H](OC)C1 ZINC000430194213 271361248 /nfs/dbraw/zinc/36/12/48/271361248.db2.gz IKGHUJIARHXBTR-ABAIWWIYSA-N 0 1 294.351 2.460 20 5 CEBDMN COc1cc([N+](=O)[O-])ccc1CN1CC[C@H](C)[C@H](OC)C1 ZINC000430194219 271361256 /nfs/dbraw/zinc/36/12/56/271361256.db2.gz IKGHUJIARHXBTR-XHDPSFHLSA-N 0 1 294.351 2.460 20 5 CEBDMN COc1cc([N+](=O)[O-])ccc1CN1[C@H](C)C[C@@H](O)C[C@@H]1C ZINC000430245576 271367099 /nfs/dbraw/zinc/36/70/99/271367099.db2.gz UBCIVNIUPXUNJD-GNXNZQSNSA-N 0 1 294.351 2.337 20 5 CEBDMN CC[C@H](C)N1CCN(c2ncc(C)cc2[N+](=O)[O-])CC1 ZINC000295974402 273744292 /nfs/dbraw/zinc/74/42/92/273744292.db2.gz KPDWUDZKHHDHFM-LBPRGKRZSA-N 0 1 278.356 2.219 20 5 CEBDMN C[C@@H](F)CCN1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000351846095 274233589 /nfs/dbraw/zinc/23/35/89/274233589.db2.gz ZTGKRWIJLVBURB-GFCCVEGCSA-N 0 1 281.331 2.465 20 5 CEBDMN O=[N+]([O-])c1ccc(N2CCN([C@@H]3CCSC3)CC2)cc1 ZINC000373039981 275036406 /nfs/dbraw/zinc/03/64/06/275036406.db2.gz OKADWOLJYOSPFG-CQSZACIVSA-N 0 1 293.392 2.222 20 5 CEBDMN CC[N@H+]1CC[C@H](N(C)c2ncc([N+](=O)[O-])s2)[C@@H](C)C1 ZINC000249278190 280390748 /nfs/dbraw/zinc/39/07/48/280390748.db2.gz LUVCGCWYJSNYRU-UWVGGRQHSA-N 0 1 284.385 2.218 20 5 CEBDMN Cc1ccc([N+](=O)[O-])c(C(=O)N2CCN(C)CC[C@H]2C)c1 ZINC000359286270 281007701 /nfs/dbraw/zinc/00/77/01/281007701.db2.gz ILXWXPMMACPZPA-GFCCVEGCSA-N 0 1 291.351 2.069 20 5 CEBDMN CCN(C)C(=O)[C@@H](C)N[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000530385862 298067994 /nfs/dbraw/zinc/06/79/94/298067994.db2.gz WSJWOUJKJGMUSA-NWDGAFQWSA-N 0 1 293.367 2.421 20 5 CEBDMN COc1cc(/C=C\c2cnccn2)cc([N+](=O)[O-])c1O ZINC000560056537 298632418 /nfs/dbraw/zinc/63/24/18/298632418.db2.gz QVUNXBKAGOJRJI-IHWYPQMZSA-N 0 1 273.248 2.269 20 5 CEBDMN C[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C[C@H]1C(=O)[O-] ZINC000573323760 314152556 /nfs/dbraw/zinc/15/25/56/314152556.db2.gz XTXFAGGQUSMZDK-BXKDBHETSA-N 0 1 296.298 2.277 20 5 CEBDMN CCc1nc(CN[C@H](C)c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000184622098 522354100 /nfs/dbraw/zinc/35/41/00/522354100.db2.gz FEBUZLBILIRNFP-SECBINFHSA-N 0 1 275.312 2.126 20 5 CEBDMN C[C@@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC[C@H]1c1ccccc1 ZINC000364837240 524840898 /nfs/dbraw/zinc/84/08/98/524840898.db2.gz JKBSCNLAILAWMG-NGFQHRJXSA-N 0 1 288.347 2.304 20 5 CEBDMN Cc1nnc(NC(=O)c2cc(F)ccc2[N+](=O)[O-])s1 ZINC000068918656 526368616 /nfs/dbraw/zinc/36/86/16/526368616.db2.gz JOHFCWCSSPCDCB-UHFFFAOYSA-N 0 1 282.256 2.146 20 5 CEBDMN C[C@@H]1CN(CCn2cc([N+](=O)[O-])cn2)Cc2ccccc21 ZINC000746653058 574509341 /nfs/dbraw/zinc/50/93/41/574509341.db2.gz JEUNFUCVZMGZSS-GFCCVEGCSA-N 0 1 286.335 2.411 20 5 CEBDMN CCN1CCN(Cc2cc(F)ccc2[N+](=O)[O-])C[C@H]1C ZINC000754372791 574581615 /nfs/dbraw/zinc/58/16/15/574581615.db2.gz KFOAXNZSVLJNNM-LLVKDONJSA-N 0 1 281.331 2.260 20 5 CEBDMN O=C(OCCc1ccccc1F)c1ccc([N+](=O)[O-])[nH]1 ZINC000731139193 574590201 /nfs/dbraw/zinc/59/02/01/574590201.db2.gz HPEYBRVQOKLVON-UHFFFAOYSA-N 0 1 278.239 2.462 20 5 CEBDMN CC1(C)[C@H](OC(=O)c2ccc([N+](=O)[O-])[nH]2)[C@H]2CCCO[C@H]21 ZINC000744183043 575116166 /nfs/dbraw/zinc/11/61/66/575116166.db2.gz JBFYQJHKLIGSOI-XXILOJSOSA-N 0 1 294.307 2.283 20 5 CEBDMN CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](CC(=O)[O-])C1CC1 ZINC000830094557 601465378 /nfs/dbraw/zinc/46/53/78/601465378.db2.gz MBMCEXVPQISXQD-UHFFFAOYSA-N 0 1 294.307 2.043 20 5 CEBDMN O=Cc1c[nH]nc1C=Cc1cc(O)ccc1[N+](=O)[O-] ZINC000255677341 625381137 /nfs/dbraw/zinc/38/11/37/625381137.db2.gz QUQOTHFPQZKGIR-IWQZZHSRSA-N 0 1 259.221 2.006 20 5 CEBDMN O=C(OCC[C@@H]1CCCCO1)c1ccc([N+](=O)[O-])[nH]1 ZINC000784955832 627965903 /nfs/dbraw/zinc/96/59/03/627965903.db2.gz NFJYMCMRZQXNPM-VIFPVBQESA-N 0 1 268.269 2.039 20 5 CEBDMN CN1C[C@H]2CCN(c3c(F)cc([N+](=O)[O-])cc3F)[C@@H]2C1 ZINC000893941582 629056647 /nfs/dbraw/zinc/05/66/47/629056647.db2.gz UZPQLUIHDODVNU-PRHODGIISA-N 0 1 283.278 2.013 20 5 CEBDMN CCCc1ccc(COC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC000840669533 629229478 /nfs/dbraw/zinc/22/94/78/629229478.db2.gz BWYGRKWLZQACQF-CHWSQXEVSA-N 0 1 263.293 2.348 20 5 CEBDMN C[C@H](CCc1ccccc1)OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840673231 629353363 /nfs/dbraw/zinc/35/33/63/629353363.db2.gz UYHRTVIFVLMHMV-RAIGVLPGSA-N 0 1 263.293 2.216 20 5 CEBDMN Cc1nc([C@@H](C)NCc2c(C)ccc([N+](=O)[O-])c2C)n[nH]1 ZINC000894777806 629633298 /nfs/dbraw/zinc/63/32/98/629633298.db2.gz MTBKWUBDIDHIHA-SNVBAGLBSA-N 0 1 289.339 2.489 20 5 CEBDMN COC(=O)[C@@H]1CCN(Cc2ccc([N+](=O)[O-])c(F)c2)[C@H]1C ZINC000801546120 631286824 /nfs/dbraw/zinc/28/68/24/631286824.db2.gz IDGDAVMSRPWHOB-GXSJLCMTSA-N 0 1 296.298 2.117 20 5 CEBDMN Cc1nc([C@@H](C)OC(=O)c2ccc([N+](=O)[O-])s2)n[nH]1 ZINC000839986651 631501832 /nfs/dbraw/zinc/50/18/32/631501832.db2.gz YIZZZMBPAGDNNT-RXMQYKEDSA-N 0 1 282.281 2.001 20 5 CEBDMN CCN(Cn1ncc2ccc([N+](=O)[O-])cc21)[C@@H]1CCOC1 ZINC000812294941 632504208 /nfs/dbraw/zinc/50/42/08/632504208.db2.gz CDMHEGINGAEZNP-CYBMUJFWSA-N 0 1 290.323 2.013 20 5 CEBDMN Cc1ccc(Br)cc1CNCC[N+](=O)[O-] ZINC000905229661 635873545 /nfs/dbraw/zinc/87/35/45/635873545.db2.gz MGKPJZJNBLOBIU-UHFFFAOYSA-N 0 1 273.130 2.124 20 5 CEBDMN O=[N+]([O-])CCNC[C@H](c1ccccc1)C(F)(F)F ZINC000905215881 635883891 /nfs/dbraw/zinc/88/38/91/635883891.db2.gz AWGRHCJHTYTEQA-SNVBAGLBSA-N 0 1 262.231 2.199 20 5 CEBDMN O=[N+]([O-])CCNCCc1nc2cc(Cl)ccc2s1 ZINC000899864927 633065840 /nfs/dbraw/zinc/06/58/40/633065840.db2.gz NVXCCKJAUZHOTQ-UHFFFAOYSA-N 0 1 285.756 2.359 20 5 CEBDMN Cc1nc(-c2ccc(CNCC[N+](=O)[O-])cc2)cs1 ZINC000899864921 633066518 /nfs/dbraw/zinc/06/65/18/633066518.db2.gz NQGRWOWZUVJFRR-UHFFFAOYSA-N 0 1 277.349 2.485 20 5 CEBDMN CC(C)[C@@H]1c2ccccc2CCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840395532 634246911 /nfs/dbraw/zinc/24/69/11/634246911.db2.gz IJTIBUMVJNQWNO-RBSFLKMASA-N 0 1 288.347 2.434 20 5 CEBDMN CCNC(=O)C(C)(C)NCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000835076817 638050401 /nfs/dbraw/zinc/05/04/01/638050401.db2.gz WAWRYJSYZDORED-UHFFFAOYSA-N 0 1 299.758 2.253 20 5 CEBDMN CC(C)SCC(=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837413657 639219898 /nfs/dbraw/zinc/21/98/98/639219898.db2.gz DLAWMTHOPPPTAI-UHFFFAOYSA-N 0 1 285.321 2.485 20 5 CEBDMN CC1(C)C[C@H]1C(=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837593867 639299730 /nfs/dbraw/zinc/29/97/30/639299730.db2.gz ZIVLLAHJSDYOQO-JTQLQIEISA-N 0 1 265.265 2.390 20 5 CEBDMN O=C(OCc1cc(O)ccc1[N+](=O)[O-])[C@@H]1CCC=CO1 ZINC000837691437 639345588 /nfs/dbraw/zinc/34/55/88/639345588.db2.gz UHSTVGXCSNVMPC-LBPRGKRZSA-N 0 1 279.248 2.036 20 5 CEBDMN COC[C@@H](C)[C@@H](C)C(=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837739339 639368667 /nfs/dbraw/zinc/36/86/67/639368667.db2.gz UYERAJDRXGTWSJ-NXEZZACHSA-N 0 1 297.307 2.262 20 5 CEBDMN C[C@@H]1CCCN1Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000173527708 639864097 /nfs/dbraw/zinc/86/40/97/639864097.db2.gz FJKKDRBIVBMMHC-SNVBAGLBSA-N 0 1 260.297 2.386 20 5 CEBDMN Cc1nc2c(s1)[C@@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])CCC2 ZINC000842311082 640007690 /nfs/dbraw/zinc/00/76/90/640007690.db2.gz QOTMORYPPFAFDW-QNSHHTMESA-N 0 1 282.321 2.037 20 5 CEBDMN Cc1nc2c(s1)[C@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])CCC2 ZINC000842311083 640008629 /nfs/dbraw/zinc/00/86/29/640008629.db2.gz QOTMORYPPFAFDW-SZEHBUNVSA-N 0 1 282.321 2.037 20 5 CEBDMN CCO[C@@H]1C[C@@H](OC(=O)[C@@H]2CC2[N+](=O)[O-])C1(CC)CC ZINC000842316935 640011671 /nfs/dbraw/zinc/01/16/71/640011671.db2.gz BDKDIZYBQHFVEZ-DDHJBXDOSA-N 0 1 285.340 2.179 20 5 CEBDMN CC(C)C[C@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccccn1 ZINC000842319598 640012331 /nfs/dbraw/zinc/01/23/31/640012331.db2.gz AXAOGFQNHWGOKV-RTXFEEFZSA-N 0 1 278.308 2.377 20 5 CEBDMN CC(C)C[C@@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccccn1 ZINC000842319594 640012519 /nfs/dbraw/zinc/01/25/19/640012519.db2.gz AXAOGFQNHWGOKV-RAIGVLPGSA-N 0 1 278.308 2.377 20 5 CEBDMN COc1ccc(CCCOC(=O)[C@@H]2CC2[N+](=O)[O-])c(C)c1 ZINC000842337657 640020097 /nfs/dbraw/zinc/02/00/97/640020097.db2.gz CITQEVMDUOKKGU-ZIAGYGMSSA-N 0 1 293.319 2.145 20 5 CEBDMN CC(C)C[C@H](N)c1noc(-c2cc([N+](=O)[O-])ccc2N)n1 ZINC000842586150 640110509 /nfs/dbraw/zinc/11/05/09/640110509.db2.gz IYAICEAOFKSTEH-NSHDSACASA-N 0 1 291.311 2.273 20 5 CEBDMN O=[N+]([O-])c1ccc(-c2noc(CNCC3CC3)n2)s1 ZINC000843218970 640351718 /nfs/dbraw/zinc/35/17/18/640351718.db2.gz NDABQLYUQYULIR-UHFFFAOYSA-N 0 1 280.309 2.206 20 5 CEBDMN C[N@@H+](CCn1ccnc1[N+](=O)[O-])Cc1ccc(F)cc1 ZINC000918377760 640957616 /nfs/dbraw/zinc/95/76/16/640957616.db2.gz KKBAABGZDACHRF-UHFFFAOYSA-N 0 1 278.287 2.062 20 5 CEBDMN CC1(CN[C@@H]2CCc3c2cccc3[N+](=O)[O-])OCCCO1 ZINC000848547543 642047242 /nfs/dbraw/zinc/04/72/42/642047242.db2.gz QSBZRQBOZPHUSU-CYBMUJFWSA-N 0 1 292.335 2.325 20 5 CEBDMN CC(C)n1cc([C@@H](C)OC(=O)c2ccc([N+](=O)[O-])[nH]2)nn1 ZINC000851240760 642957887 /nfs/dbraw/zinc/95/78/87/642957887.db2.gz JAGGVXHHZXYFSX-MRVPVSSYSA-N 0 1 293.283 2.013 20 5 CEBDMN CN(C)c1ccnc(CNCc2cccc([N+](=O)[O-])c2)c1 ZINC000922482026 643083871 /nfs/dbraw/zinc/08/38/71/643083871.db2.gz WYUMJCPLRJZTBL-UHFFFAOYSA-N 0 1 286.335 2.346 20 5 CEBDMN C[C@@H](NC[C@H](O)c1ccccn1)c1ccccc1[N+](=O)[O-] ZINC000851907313 643219200 /nfs/dbraw/zinc/21/92/00/643219200.db2.gz SNDKSNZSAVJYLI-ABAIWWIYSA-N 0 1 287.319 2.374 20 5 CEBDMN Cc1ccc(-c2noc(CNC(C)C)n2)cc1[N+](=O)[O-] ZINC000854136466 643994099 /nfs/dbraw/zinc/99/40/99/643994099.db2.gz DDYOOCAAHRKZFL-UHFFFAOYSA-N 0 1 276.296 2.451 20 5 CEBDMN Cc1cc([N+](=O)[O-])ccc1-c1noc(CNC(C)C)n1 ZINC000854139586 643996343 /nfs/dbraw/zinc/99/63/43/643996343.db2.gz WXFKEMOYYGGDMI-UHFFFAOYSA-N 0 1 276.296 2.451 20 5 CEBDMN CC[C@H](NC)c1nc(-c2ccc([N+](=O)[O-])s2)no1 ZINC000854150665 643999418 /nfs/dbraw/zinc/99/94/18/643999418.db2.gz SYFCPKLWIOBEML-LURJTMIESA-N 0 1 268.298 2.377 20 5 CEBDMN O=C(Nc1ccc2c(c1)[C@@H](O)CCCC2)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000855546751 644385908 /nfs/dbraw/zinc/38/59/08/644385908.db2.gz RWGCSPXPJHLFHN-MCIONIFRSA-N 0 1 290.319 2.050 20 5 CEBDMN Cc1cccc2c1CCC[C@@H]2NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000856300964 644633196 /nfs/dbraw/zinc/63/31/96/644633196.db2.gz CRRXQHOELFXFSN-HZSPNIEDSA-N 0 1 274.320 2.154 20 5 CEBDMN CC(C)Oc1cccc([C@@H](C)NC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC000839535967 644734408 /nfs/dbraw/zinc/73/44/08/644734408.db2.gz KFRLOORAHSZDNN-LERXQTSPSA-N 0 1 292.335 2.316 20 5 CEBDMN C[C@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC[C@H]1c1ccccc1 ZINC000839692224 644775384 /nfs/dbraw/zinc/77/53/84/644775384.db2.gz JKBSCNLAILAWMG-ZGKBOVNRSA-N 0 1 288.347 2.304 20 5 CEBDMN CCC[C@H]1[C@@H](C)CCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839692863 644775449 /nfs/dbraw/zinc/77/54/49/644775449.db2.gz YBVWBNFASNUGDF-WHOHXGKFSA-N 0 1 254.330 2.079 20 5 CEBDMN O=C(N[C@H]1CCC[C@H](c2ccccc2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000839735939 644786406 /nfs/dbraw/zinc/78/64/06/644786406.db2.gz CMVSLZQZTQAHGY-BYNSBNAKSA-N 0 1 288.347 2.494 20 5 CEBDMN CCC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCCCC1 ZINC000839726113 644793509 /nfs/dbraw/zinc/79/35/09/644793509.db2.gz MMWOWSRGFLLKQT-GHMZBOCLSA-N 0 1 254.330 2.128 20 5 CEBDMN O=C(N[C@@H]1CC[C@@H](c2cccc(F)c2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000839748383 644804661 /nfs/dbraw/zinc/80/46/61/644804661.db2.gz RQSQOGCMTOPSIZ-FMKGYKFTSA-N 0 1 292.310 2.243 20 5 CEBDMN O=C(N[C@H]1CCCCC12CCCC2)[C@@H]1CC1[N+](=O)[O-] ZINC000839775967 644812284 /nfs/dbraw/zinc/81/22/84/644812284.db2.gz XCGSWRFXMGAQCC-UTUOFQBUSA-N 0 1 266.341 2.271 20 5 CEBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCc2c(Cl)cc(F)cc2C1 ZINC000839781037 644815174 /nfs/dbraw/zinc/81/51/74/644815174.db2.gz HWOWRRFATXWJQO-ZYHUDNBSSA-N 0 1 298.701 2.029 20 5 CEBDMN COCCN(C)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000761506869 645292489 /nfs/dbraw/zinc/29/24/89/645292489.db2.gz OFKBRUFOQRFFDO-UHFFFAOYSA-N 0 1 258.705 2.326 20 5 CEBDMN C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@H](C)CN1C ZINC000768525726 646135789 /nfs/dbraw/zinc/13/57/89/646135789.db2.gz KWKCIVKOZZQOAF-NXEZZACHSA-N 0 1 294.311 2.032 20 5 CEBDMN C[C@@H](C(=O)OCCN1CCC1)c1ccc([N+](=O)[O-])cc1F ZINC000861389520 646168971 /nfs/dbraw/zinc/16/89/71/646168971.db2.gz OTGILYXYIICVBO-SNVBAGLBSA-N 0 1 296.298 2.086 20 5 CEBDMN O=C(OCCN1CCCCC1)c1cc(F)ccc1[N+](=O)[O-] ZINC000770362875 646382762 /nfs/dbraw/zinc/38/27/62/646382762.db2.gz OWJXTJHDHTXZTQ-UHFFFAOYSA-N 0 1 296.298 2.377 20 5 CEBDMN CC1(C)CCc2cccc(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])c2O1 ZINC000863047665 646622835 /nfs/dbraw/zinc/62/28/35/646622835.db2.gz ZUQLIPFGNFHGDT-ZYHUDNBSSA-N 0 1 290.319 2.394 20 5 CEBDMN CC[C@@H]1CN(Cc2ccc([N+](=O)[O-])c(Cl)c2)C[C@H]1O ZINC000783579740 647731908 /nfs/dbraw/zinc/73/19/08/647731908.db2.gz IADGKCPHRWWYFI-ZWNOBZJWSA-N 0 1 284.743 2.451 20 5 CEBDMN C[C@H](NCCn1ccnc1)c1c(F)cccc1[N+](=O)[O-] ZINC000872019013 649242798 /nfs/dbraw/zinc/24/27/98/649242798.db2.gz RWMPADMRTAYWAJ-JTQLQIEISA-N 0 1 278.287 2.281 20 5 CEBDMN C[C@@H](NCCc1cn(C)cn1)c1c(F)cccc1[N+](=O)[O-] ZINC000872077356 649264964 /nfs/dbraw/zinc/26/49/64/649264964.db2.gz HGAFVKZLVIEZKX-SNVBAGLBSA-N 0 1 292.314 2.361 20 5 CEBDMN CCC(=O)NCCN(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001267320553 803364521 /nfs/dbraw/zinc/36/45/21/803364521.db2.gz NXOWTHQXPQQUOB-UHFFFAOYSA-N 0 1 291.351 2.085 20 5 CEBDMN CC(C)N(CCc1ccccc1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001117943674 814967829 /nfs/dbraw/zinc/96/78/29/814967829.db2.gz ZMTRACVWPCWIEY-ZIAGYGMSSA-N 0 1 276.336 2.131 20 5 CEBDMN CCCC[C@@H](CCC)CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001127050079 806993908 /nfs/dbraw/zinc/99/39/08/806993908.db2.gz GSBTXTMLGCDWTL-IJLUTSLNSA-N 0 1 256.346 2.374 20 5 CEBDMN CC[C@H]1COC[C@@H]1NCc1cc([N+](=O)[O-])ccc1OC ZINC000699831938 807864979 /nfs/dbraw/zinc/86/49/79/807864979.db2.gz AKJXLJCYBVFYNY-GWCFXTLKSA-N 0 1 280.324 2.118 20 5 CEBDMN Cc1c(Nc2nccnc2CN)cc(F)cc1[N+](=O)[O-] ZINC001171450137 815162707 /nfs/dbraw/zinc/16/27/07/815162707.db2.gz OIOUCJHVUGDPPN-UHFFFAOYSA-N 0 1 277.259 2.035 20 5 CEBDMN C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C[C@H](C)N1 ZINC000702050600 809490355 /nfs/dbraw/zinc/49/03/55/809490355.db2.gz PTIRGRUQKXLWMR-DTORHVGOSA-N 0 1 297.742 2.071 20 5 CEBDMN C[C@H]1CN(Cc2ccc([N+](=O)[O-])c(F)c2)C[C@]1(C)CO ZINC000694693890 809854899 /nfs/dbraw/zinc/85/48/99/809854899.db2.gz MPFWFOMTQVLMLV-IINYFYTJSA-N 0 1 282.315 2.184 20 5 CEBDMN O=[N+]([O-])c1ccc2c(c1)CC[C@@H](N1C[C@H]3C[C@@H](C1)O3)CC2 ZINC001172912472 815559248 /nfs/dbraw/zinc/55/92/48/815559248.db2.gz AETXTUGJLAMUQQ-CWRNSKLLSA-N 0 1 288.347 2.315 20 5 CEBDMN CC[C@@](N)(CO)Nc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001170865702 813565822 /nfs/dbraw/zinc/56/58/22/813565822.db2.gz PTSUTTWGAJEWGG-JTQLQIEISA-N 0 1 293.245 2.083 20 5 CEBDMN CN1CC(C(=O)Nc2cc3cccnc3c3ncccc23)C1 ZINC001142599014 816692542 /nfs/dbraw/zinc/69/25/42/816692542.db2.gz LBIZYDZHCAGQNP-UHFFFAOYSA-N 0 1 292.342 2.283 20 5 CEBDMN Cc1c([N+](=O)[O-])cccc1-n1[nH]c([C@H]2CCOC2)cc1=O ZINC000601941408 346934701 /nfs/dbraw/zinc/93/47/01/346934701.db2.gz WCVJDWXGXYZDLQ-JTQLQIEISA-N 0 1 289.291 2.032 20 5 CEBDMN COc1ccc(CN2CC[C@@H](OC)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000449493513 282257390 /nfs/dbraw/zinc/25/73/90/282257390.db2.gz DZWXRSDMCNWCNS-SMDDNHRTSA-N 0 1 294.351 2.460 20 5 CEBDMN COc1cc(NCc2n[nH]c(C3CC3)n2)ccc1[N+](=O)[O-] ZINC000294995578 199290647 /nfs/dbraw/zinc/29/06/47/199290647.db2.gz QVZPVPAAVYWPCK-UHFFFAOYSA-N 0 1 289.295 2.211 20 5 CEBDMN COc1ccc(CN2CCC(OC)CC2)cc1[N+](=O)[O-] ZINC000051155189 343548607 /nfs/dbraw/zinc/54/86/07/343548607.db2.gz RPDIIOXROPQIQD-UHFFFAOYSA-N 0 1 280.324 2.214 20 5 CEBDMN CN(C)[C@@H](CNc1ccc([N+](=O)[O-])nc1)c1ccco1 ZINC000072521978 343804744 /nfs/dbraw/zinc/80/47/44/343804744.db2.gz UKZBFAKEHGSATI-NSHDSACASA-N 0 1 276.296 2.298 20 5 CEBDMN C[C@H](c1ccccc1[N+](=O)[O-])N1CCC[C@H](O)C1 ZINC000075617092 343859477 /nfs/dbraw/zinc/85/94/77/343859477.db2.gz LTYWIZHASTUFCP-MNOVXSKESA-N 0 1 250.298 2.113 20 5 CEBDMN CC[C@@]1(C)CCCN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])C1 ZINC000081321465 344045877 /nfs/dbraw/zinc/04/58/77/344045877.db2.gz MHHWZTPHTYPOIN-ZDUSSCGKSA-N 0 1 280.328 2.279 20 5 CEBDMN CCN1CCC[C@@H](NC(=O)c2cc([N+](=O)[O-])c(C)s2)C1 ZINC000048753670 362301894 /nfs/dbraw/zinc/30/18/94/362301894.db2.gz ALJVRNIZJPDIMY-SNVBAGLBSA-N 0 1 297.380 2.179 20 5 CEBDMN C[C@H](O)[C@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000089929704 344131420 /nfs/dbraw/zinc/13/14/20/344131420.db2.gz ZFMZIKBIHGLCRX-QWRGUYRKSA-N 0 1 282.315 2.327 20 5 CEBDMN C[N@H+](CCc1nccs1)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000093843721 344230420 /nfs/dbraw/zinc/23/04/20/344230420.db2.gz ZMZBHYJYTNBOLF-UHFFFAOYSA-N 0 1 293.348 2.431 20 5 CEBDMN C[N@@H+](CCc1nccs1)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000093843721 344230422 /nfs/dbraw/zinc/23/04/22/344230422.db2.gz ZMZBHYJYTNBOLF-UHFFFAOYSA-N 0 1 293.348 2.431 20 5 CEBDMN CCN(CCc1ccccc1)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602439846 347033990 /nfs/dbraw/zinc/03/39/90/347033990.db2.gz LQEHKHMFWGTTJU-UHFFFAOYSA-N 0 1 288.351 2.393 20 5 CEBDMN Cn1cc(CN2CCC3(C2)CCCCC3)c([N+](=O)[O-])n1 ZINC000602477814 347051018 /nfs/dbraw/zinc/05/10/18/347051018.db2.gz UTHAVSXIUKZHBT-UHFFFAOYSA-N 0 1 278.356 2.485 20 5 CEBDMN CCSCC[C@H](C)N(C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602481535 347054014 /nfs/dbraw/zinc/05/40/14/347054014.db2.gz FXNINLXYKIGLMZ-JTQLQIEISA-N 0 1 286.401 2.292 20 5 CEBDMN O=[N+]([O-])c1ccc(-c2nc([C@H]3CCCN3)no2)s1 ZINC000225424051 344545291 /nfs/dbraw/zinc/54/52/91/344545291.db2.gz ZYKDIRBNKHTASL-ZCFIWIBFSA-N 0 1 266.282 2.131 20 5 CEBDMN CCS[C@H]1CC[C@@H](N(C)Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602484399 347055092 /nfs/dbraw/zinc/05/50/92/347055092.db2.gz OOMWDWFASNHTBO-NEPJUHHUSA-N 0 1 298.412 2.434 20 5 CEBDMN O=[N+]([O-])c1ccc2oc(CN[C@@H]3CCSC3)nc2c1 ZINC000602563830 347079501 /nfs/dbraw/zinc/07/95/01/347079501.db2.gz PAJGRXXKRZECMN-MRVPVSSYSA-N 0 1 279.321 2.331 20 5 CEBDMN C[C@@H]1C[C@@H](NCc2ccc([N+](=O)[O-])cc2F)CO1 ZINC000402266881 344872355 /nfs/dbraw/zinc/87/23/55/344872355.db2.gz IKRZJYKFIDMAOE-PSASIEDQSA-N 0 1 254.261 2.001 20 5 CEBDMN COC(=O)[C@@H]1CCN(C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000351623387 219149452 /nfs/dbraw/zinc/14/94/52/219149452.db2.gz IBTBVGHCWFFDGD-RYWCDNDXSA-N 0 1 290.319 2.103 20 5 CEBDMN O=[N+]([O-])c1ccc(OC(F)F)c(CN[C@@H]2CCOC2)c1 ZINC000591642158 345271929 /nfs/dbraw/zinc/27/19/29/345271929.db2.gz YYEXSTHXHRNGPJ-SECBINFHSA-N 0 1 288.250 2.075 20 5 CEBDMN O=[N+]([O-])c1cccc(CN2CC[C@H](Nc3ncccn3)C2)c1 ZINC000592516956 345363965 /nfs/dbraw/zinc/36/39/65/345363965.db2.gz KNUQHARXKQNRST-ZDUSSCGKSA-N 0 1 299.334 2.071 20 5 CEBDMN C[C@H](NCc1cc(O)ccc1[N+](=O)[O-])c1csnn1 ZINC000593034616 345426480 /nfs/dbraw/zinc/42/64/80/345426480.db2.gz NNJGBCMJVMZPLS-ZETCQYMHSA-N 0 1 280.309 2.003 20 5 CEBDMN CC[N@H+](Cc1cc([O-])ccc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000593069213 345433017 /nfs/dbraw/zinc/43/30/17/345433017.db2.gz HVJILYMEVKELLR-LBPRGKRZSA-N 0 1 280.324 2.301 20 5 CEBDMN CC[N@@H+](Cc1cc([O-])ccc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000593069213 345433019 /nfs/dbraw/zinc/43/30/19/345433019.db2.gz HVJILYMEVKELLR-LBPRGKRZSA-N 0 1 280.324 2.301 20 5 CEBDMN C[C@@H](CNC(=O)c1cc(O)cc([N+](=O)[O-])c1)CC(F)F ZINC000592827172 345401204 /nfs/dbraw/zinc/40/12/04/345401204.db2.gz XHLOCTGTVSCYHJ-SSDOTTSWSA-N 0 1 288.250 2.322 20 5 CEBDMN CC(C)C[N@@H+](C)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000593734858 345529448 /nfs/dbraw/zinc/52/94/48/345529448.db2.gz GSCLNNKRLCUISR-UHFFFAOYSA-N 0 1 266.297 2.381 20 5 CEBDMN Cc1noc(CN2C[C@H](C)[C@H](C)[C@@H]2C)c1[N+](=O)[O-] ZINC000595553601 345811596 /nfs/dbraw/zinc/81/15/96/345811596.db2.gz ZIIZXBGHWMHURF-NRPADANISA-N 0 1 253.302 2.368 20 5 CEBDMN COC[C@@H](CN(Cc1ccccc1[N+](=O)[O-])C1CC1)OC ZINC000595388052 345772417 /nfs/dbraw/zinc/77/24/17/345772417.db2.gz SYQJZVSRAXZYNX-CQSZACIVSA-N 0 1 294.351 2.221 20 5 CEBDMN Cc1noc(CN2CC[C@@H](C3CC3)C2)c1[N+](=O)[O-] ZINC000595413073 345777028 /nfs/dbraw/zinc/77/70/28/345777028.db2.gz VKLQKOPPUMCLLT-SNVBAGLBSA-N 0 1 251.286 2.123 20 5 CEBDMN Cc1noc(CN[C@H](C(C)C)C2(CO)CCC2)c1[N+](=O)[O-] ZINC000595505128 345798567 /nfs/dbraw/zinc/79/85/67/345798567.db2.gz NHOPYOYCFAJJFR-CYBMUJFWSA-N 0 1 297.355 2.168 20 5 CEBDMN C[C@H]1CN(Cc2ccc(F)cc2[N+](=O)[O-])C[C@H](C)C1O ZINC000595734409 345862648 /nfs/dbraw/zinc/86/26/48/345862648.db2.gz ZNVUNUCWRWZQLT-UWVGGRQHSA-N 0 1 282.315 2.183 20 5 CEBDMN O=[N+]([O-])c1cc(F)c(CN[C@@H](CO)C2CCC2)c(F)c1 ZINC000595617023 345828895 /nfs/dbraw/zinc/82/88/95/345828895.db2.gz QHCXKVVEHAAZPH-ZDUSSCGKSA-N 0 1 286.278 2.124 20 5 CEBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N(C)C[C@@H]1COCCO1 ZINC000595738644 345863371 /nfs/dbraw/zinc/86/33/71/345863371.db2.gz XCLKYQFQPKYIPW-GXTWGEPZSA-N 0 1 294.351 2.311 20 5 CEBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N(C)C[C@@H]1COCCO1 ZINC000595738649 345863387 /nfs/dbraw/zinc/86/33/87/345863387.db2.gz XCLKYQFQPKYIPW-TZMCWYRMSA-N 0 1 294.351 2.311 20 5 CEBDMN COc1cc([N+](=O)[O-])ccc1CN1C[C@@H]2COC[C@]2(C)C1 ZINC000595759401 345869681 /nfs/dbraw/zinc/86/96/81/345869681.db2.gz PQLSVIRLFNZJEB-DOMZBBRYSA-N 0 1 292.335 2.072 20 5 CEBDMN C[C@H]1CN(Cc2ccc(F)cc2[N+](=O)[O-])C[C@]1(C)CO ZINC000595861404 345900357 /nfs/dbraw/zinc/90/03/57/345900357.db2.gz VLMAQBSCARUCLN-IINYFYTJSA-N 0 1 282.315 2.184 20 5 CEBDMN CC(=O)c1ccc(NCCN2CCCC2)c([N+](=O)[O-])c1 ZINC000060847456 362669771 /nfs/dbraw/zinc/66/97/71/362669771.db2.gz GVPAYYJKQBBWQG-UHFFFAOYSA-N 0 1 277.324 2.305 20 5 CEBDMN CCc1[nH]nc(C(=O)N2CCC[C@@H](CCF)C2)c1[N+](=O)[O-] ZINC000598220789 346309580 /nfs/dbraw/zinc/30/95/80/346309580.db2.gz NWSKHPASUIBKPV-VIFPVBQESA-N 0 1 298.318 2.092 20 5 CEBDMN CC1(C)C[C@@]1(C)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000598388586 346344225 /nfs/dbraw/zinc/34/42/25/346344225.db2.gz ZYAWJPNQRLABDP-CYBMUJFWSA-N 0 1 264.281 2.219 20 5 CEBDMN CC1(C)CC[C@H](CO)[N@@H+](Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000598646285 346392326 /nfs/dbraw/zinc/39/23/26/346392326.db2.gz DXCNPKLXOCDRPH-GFCCVEGCSA-N 0 1 294.351 2.283 20 5 CEBDMN C[C@@H]1C[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])CC[C@H]1C(=O)[O-] ZINC000600706049 346674317 /nfs/dbraw/zinc/67/43/17/346674317.db2.gz ZFWZHXGMBGNGNP-NXEZZACHSA-N 0 1 296.298 2.277 20 5 CEBDMN C[C@@H]1OCC[C@@]1(C)NCc1ccc([N+](=O)[O-])cc1F ZINC000336810054 365848646 /nfs/dbraw/zinc/84/86/46/365848646.db2.gz GYBXBBFNMOBQCV-TVQRCGJNSA-N 0 1 268.288 2.391 20 5 CEBDMN Cc1ccc(C[N@H+]2CC[C@H](C(=O)[O-])[C@H](C)C2)cc1[N+](=O)[O-] ZINC000600800980 346692906 /nfs/dbraw/zinc/69/29/06/346692906.db2.gz OYJZIWWFFWCESF-YPMHNXCESA-N 0 1 292.335 2.446 20 5 CEBDMN O=[N+]([O-])c1ccc([O-])cc1C[NH2+][C@H]1CCCn2nccc21 ZINC000601173923 346777686 /nfs/dbraw/zinc/77/76/86/346777686.db2.gz MLRQHRMTYUSARM-LBPRGKRZSA-N 0 1 288.307 2.122 20 5 CEBDMN O=[N+]([O-])c1ccc(O)cc1CN[C@H]1CCCn2nccc21 ZINC000601173923 346777689 /nfs/dbraw/zinc/77/76/89/346777689.db2.gz MLRQHRMTYUSARM-LBPRGKRZSA-N 0 1 288.307 2.122 20 5 CEBDMN O=[N+]([O-])c1cc(C(F)(F)F)ccc1CN[C@H]1C[C@@H](O)C1 ZINC000602682944 347142883 /nfs/dbraw/zinc/14/28/83/347142883.db2.gz VISJYYNRXWEYLX-AOOOYVTPSA-N 0 1 290.241 2.227 20 5 CEBDMN COCC1(CNCc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000602704272 347159409 /nfs/dbraw/zinc/15/94/09/347159409.db2.gz FKHZULRUHOWGTQ-UHFFFAOYSA-N 0 1 291.307 2.252 20 5 CEBDMN CC[C@@H](CNCc1nc2cc([N+](=O)[O-])ccc2o1)OC ZINC000602666312 347132443 /nfs/dbraw/zinc/13/24/43/347132443.db2.gz HCCNNVCQCGBVHK-JTQLQIEISA-N 0 1 279.296 2.251 20 5 CEBDMN CCN(C#N)CCN[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000602806461 347207580 /nfs/dbraw/zinc/20/75/80/347207580.db2.gz UCTBSXOFXSEUIC-NSHDSACASA-N 0 1 262.313 2.048 20 5 CEBDMN C[C@@H]1CCCN(Cc2ccc(F)cc2[N+](=O)[O-])[C@@H]1CO ZINC000602989885 347268697 /nfs/dbraw/zinc/26/86/97/347268697.db2.gz AXKQNZZQEJTKFK-QMTHXVAHSA-N 0 1 282.315 2.327 20 5 CEBDMN COCc1cc(CNCCc2cccc([N+](=O)[O-])c2)no1 ZINC000297773303 232666037 /nfs/dbraw/zinc/66/60/37/232666037.db2.gz VSCKOITYXLYZDL-UHFFFAOYSA-N 0 1 291.307 2.062 20 5 CEBDMN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCc2cn[nH]c2C1 ZINC000611009459 347732308 /nfs/dbraw/zinc/73/23/08/347732308.db2.gz ZOCCXXDQYIQOEQ-SNVBAGLBSA-N 0 1 272.308 2.437 20 5 CEBDMN C[C@@H](C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)N(C)C ZINC000611218307 347752537 /nfs/dbraw/zinc/75/25/37/347752537.db2.gz OUMPBZNAHBSKQF-NSHDSACASA-N 0 1 291.351 2.036 20 5 CEBDMN CC(C)C1CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000611559330 347794622 /nfs/dbraw/zinc/79/46/22/347794622.db2.gz IMPBFMJWCSSEFO-UHFFFAOYSA-N 0 1 264.281 2.028 20 5 CEBDMN COC(=O)c1ccc([N+](=O)[O-])c(NCc2cc(C)[nH]n2)c1 ZINC000611753472 347813781 /nfs/dbraw/zinc/81/37/81/347813781.db2.gz JSZQWPBAMIHHKD-UHFFFAOYSA-N 0 1 290.279 2.025 20 5 CEBDMN COC[C@](C)(CO)NCc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000611479893 347783717 /nfs/dbraw/zinc/78/37/17/347783717.db2.gz SSHMBCMMZFPJBF-HNNXBMFYSA-N 0 1 296.367 2.205 20 5 CEBDMN CCOC(=O)C1(CNCc2csc([N+](=O)[O-])c2)CC1 ZINC000351896929 219240897 /nfs/dbraw/zinc/24/08/97/219240897.db2.gz ZIAIXMLWFZXEHH-UHFFFAOYSA-N 0 1 284.337 2.089 20 5 CEBDMN CCOC(=O)C1(CNCc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000351914659 219246234 /nfs/dbraw/zinc/24/62/34/219246234.db2.gz BQKFSSQCJZVBRP-UHFFFAOYSA-N 0 1 296.298 2.167 20 5 CEBDMN O=[N+]([O-])c1ccc2oc(CN3CCC[C@H]3CCO)nc2c1 ZINC000614597254 348220390 /nfs/dbraw/zinc/22/03/90/348220390.db2.gz FLJYGCJQWFSVGH-JTQLQIEISA-N 0 1 291.307 2.083 20 5 CEBDMN O=[N+]([O-])c1cccc2c1ccnc2NCCN1CCC1 ZINC000450406005 282594769 /nfs/dbraw/zinc/59/47/69/282594769.db2.gz PHIWPVYUVNGQET-UHFFFAOYSA-N 0 1 272.308 2.261 20 5 CEBDMN COc1cc([N+](=O)[O-])ccc1CN1CCC12CCOCC2 ZINC000619531983 349194739 /nfs/dbraw/zinc/19/47/39/349194739.db2.gz YGFXDOZCNUMGMZ-UHFFFAOYSA-N 0 1 292.335 2.358 20 5 CEBDMN COCCCOCCN(C)Cc1cccc([N+](=O)[O-])c1 ZINC000091102896 180097230 /nfs/dbraw/zinc/09/72/30/180097230.db2.gz BZUCQOBKPSAOKQ-UHFFFAOYSA-N 0 1 282.340 2.080 20 5 CEBDMN Cc1[nH]nc(C(=O)N2CCCC3(CCC3)C2)c1[N+](=O)[O-] ZINC000352172113 219345222 /nfs/dbraw/zinc/34/52/22/219345222.db2.gz UFKOZHRMKDRUKO-UHFFFAOYSA-N 0 1 278.312 2.033 20 5 CEBDMN CN1CCC[C@H]1CNc1ncc([N+](=O)[O-])cc1Cl ZINC000122686022 187045807 /nfs/dbraw/zinc/04/58/07/187045807.db2.gz ZIJSAZDMYHYTJC-QMMMGPOBSA-N 0 1 270.720 2.149 20 5 CEBDMN CC[C@H]1CCN1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000292125285 198172950 /nfs/dbraw/zinc/17/29/50/198172950.db2.gz AWJMGGKTMGUJCW-WCQYABFASA-N 0 1 250.298 2.113 20 5 CEBDMN CCCc1[nH]nc(C(=O)N2C[C@H]3CCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000154201488 188129673 /nfs/dbraw/zinc/12/96/73/188129673.db2.gz HZGQORWLMPHGAF-NXEZZACHSA-N 0 1 292.339 2.143 20 5 CEBDMN Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H](C)[C@@H](C(=O)[O-])C1 ZINC000570094052 299237899 /nfs/dbraw/zinc/23/78/99/299237899.db2.gz YTVSUZMYDIAAPY-HZMBPMFUSA-N 0 1 292.335 2.446 20 5 CEBDMN C[C@H]1CCC(C)(C)N1Cc1c([N+](=O)[O-])ncn1C ZINC000452013813 283160903 /nfs/dbraw/zinc/16/09/03/283160903.db2.gz TWYXKYZBLTUGJD-VIFPVBQESA-N 0 1 252.318 2.091 20 5 CEBDMN Cc1ccc(CNCc2n[nH]c(C(C)C)n2)cc1[N+](=O)[O-] ZINC000294685835 199134535 /nfs/dbraw/zinc/13/45/35/199134535.db2.gz BWHKIQMRKCFSPZ-UHFFFAOYSA-N 0 1 289.339 2.435 20 5 CEBDMN O=[N+]([O-])c1ccc(O)cc1CN1CCC[C@H]1c1cc[nH]n1 ZINC000339133768 366668653 /nfs/dbraw/zinc/66/86/53/366668653.db2.gz OUWFJNRFUIKEDN-AWEZNQCLSA-N 0 1 288.307 2.361 20 5 CEBDMN CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@H](N)c1ccccc1 ZINC000237159746 370696180 /nfs/dbraw/zinc/69/61/80/370696180.db2.gz RILYEBXIANEOHM-OAHLLOKOSA-N 0 1 299.330 2.253 20 5 CEBDMN O=[N+]([O-])c1ccc2c(c1)CN(CCCn1ccnc1)CC2 ZINC000342478512 216366959 /nfs/dbraw/zinc/36/69/59/216366959.db2.gz JUVIWTOLOGMNPO-UHFFFAOYSA-N 0 1 286.335 2.240 20 5 CEBDMN CCN(CCOC)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094774543 364295628 /nfs/dbraw/zinc/29/56/28/364295628.db2.gz LFHJZBDBVIRFOA-UHFFFAOYSA-N 0 1 256.277 2.202 20 5 CEBDMN CC1(C)CCCN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000102918786 364618808 /nfs/dbraw/zinc/61/88/08/364618808.db2.gz VJVMLTUUIBZELQ-UHFFFAOYSA-N 0 1 288.307 2.486 20 5 CEBDMN Cc1nn(C)cc1[C@@H](C)NCc1cccc([N+](=O)[O-])c1 ZINC000112837378 364848927 /nfs/dbraw/zinc/84/89/27/364848927.db2.gz ACTOPICAPPXFDP-SNVBAGLBSA-N 0 1 274.324 2.488 20 5 CEBDMN Cc1ccc([C@H](C)CNC(=O)c2n[nH]cc2[N+](=O)[O-])cc1 ZINC000162621139 367175087 /nfs/dbraw/zinc/17/50/87/367175087.db2.gz RFAZUVGNUVAKQR-SNVBAGLBSA-N 0 1 288.307 2.160 20 5 CEBDMN C[C@H](C[S@](C)=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000168205401 367349953 /nfs/dbraw/zinc/34/99/53/367349953.db2.gz WAAWQSXNZCRYCY-NTCNTBNZSA-N 0 1 290.772 2.105 20 5 CEBDMN COc1ccc(CNCc2cc[nH]c2)cc1[N+](=O)[O-] ZINC000343885660 368059054 /nfs/dbraw/zinc/05/90/54/368059054.db2.gz HTEOZBHJYKGPOA-UHFFFAOYSA-N 0 1 261.281 2.221 20 5 CEBDMN Cc1[nH]nc(C(=O)N(C)[C@@H]2CCC(C)(C)C2)c1[N+](=O)[O-] ZINC000358095572 370904195 /nfs/dbraw/zinc/90/41/95/370904195.db2.gz YUMWHFLHHQPEPZ-SECBINFHSA-N 0 1 280.328 2.277 20 5 CEBDMN CCN(C(=O)c1n[nH]c(C)c1[N+](=O)[O-])C1CCCCC1 ZINC000330610477 203033764 /nfs/dbraw/zinc/03/37/64/203033764.db2.gz UQKPGXYUTAKHEI-UHFFFAOYSA-N 0 1 280.328 2.421 20 5 CEBDMN CCc1[nH]nc(C(=O)N(CC)CC2CCC2)c1[N+](=O)[O-] ZINC000358174361 370937191 /nfs/dbraw/zinc/93/71/91/370937191.db2.gz BGSZYCQFALZFMV-UHFFFAOYSA-N 0 1 280.328 2.143 20 5 CEBDMN COCCO[C@H]1CCN([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000189677462 369556922 /nfs/dbraw/zinc/55/69/22/369556922.db2.gz UOQBUDOVDLPDPU-DOMZBBRYSA-N 0 1 294.351 2.393 20 5 CEBDMN Cc1nccc(CN(C)CCc2ccccc2[N+](=O)[O-])n1 ZINC000352570321 369790089 /nfs/dbraw/zinc/79/00/89/369790089.db2.gz FYPICANVQYMUKZ-UHFFFAOYSA-N 0 1 286.335 2.368 20 5 CEBDMN COc1ccc(CN2[C@H](C)CC(O)C[C@H]2C)cc1[N+](=O)[O-] ZINC000331160683 203586093 /nfs/dbraw/zinc/58/60/93/203586093.db2.gz FFBQAFCZCADNKP-GHMZBOCLSA-N 0 1 294.351 2.337 20 5 CEBDMN CCn1nc(C)c([N+](=O)[O-])c1NCCN1CC=C(C)CC1 ZINC000359562226 371470570 /nfs/dbraw/zinc/47/05/70/371470570.db2.gz FYOAPKPEGHQWBC-UHFFFAOYSA-N 0 1 293.371 2.184 20 5 CEBDMN CCN(Cc1c([N+](=O)[O-])ncn1C)CC(C)(C)C ZINC000361520146 371895747 /nfs/dbraw/zinc/89/57/47/371895747.db2.gz SZPKPSXSZXBFSQ-UHFFFAOYSA-N 0 1 254.334 2.196 20 5 CEBDMN COc1ccc([N+](=O)[O-])c(N2CC[C@@H](N3CC=CC3)C2)c1 ZINC000266272826 372041016 /nfs/dbraw/zinc/04/10/16/372041016.db2.gz RJDHRWZEUZIXJJ-GFCCVEGCSA-N 0 1 289.335 2.054 20 5 CEBDMN C[C@]1(c2ccccc2)CCCN(C(=O)[C@H]2CC2[N+](=O)[O-])C1 ZINC000365284819 372819567 /nfs/dbraw/zinc/81/95/67/372819567.db2.gz XILGPFWZZMGAGK-DZKIICNBSA-N 0 1 288.347 2.232 20 5 CEBDMN CN1CCCC(C)(C)[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])o1 ZINC000344650040 217263482 /nfs/dbraw/zinc/26/34/82/217263482.db2.gz WPWYTZJKTGNMOS-NSHDSACASA-N 0 1 295.339 2.038 20 5 CEBDMN CC(C)c1nc([C@@H](C)Nc2ncccc2[N+](=O)[O-])n[nH]1 ZINC000270716529 372917394 /nfs/dbraw/zinc/91/73/94/372917394.db2.gz MVZNSYRQFSNKCY-MRVPVSSYSA-N 0 1 276.300 2.404 20 5 CEBDMN Cc1ccccc1C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000369070584 373327195 /nfs/dbraw/zinc/32/71/95/373327195.db2.gz AMNMBVGELQRLJS-HUUCEWRRSA-N 0 1 288.347 2.366 20 5 CEBDMN C[C@H]1CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C[C@H]1C ZINC000272630604 373590655 /nfs/dbraw/zinc/59/06/55/373590655.db2.gz BBLMZNFETWMEAB-VHSXEESVSA-N 0 1 278.308 2.419 20 5 CEBDMN CO[C@@H](CNC(=O)c1cc(O)cc([N+](=O)[O-])c1)C(C)(C)C ZINC000272667554 373606949 /nfs/dbraw/zinc/60/69/49/373606949.db2.gz JLFWVJZPXIUKCH-LBPRGKRZSA-N 0 1 296.323 2.091 20 5 CEBDMN O=[N+]([O-])c1ccc(F)cc1CN1CC[C@@](O)(C2CC2)C1 ZINC000370668451 373712152 /nfs/dbraw/zinc/71/21/52/373712152.db2.gz WKXIKCVGTNOJQS-AWEZNQCLSA-N 0 1 280.299 2.081 20 5 CEBDMN CCc1[nH]nc(C(=O)N2C[C@H]3CCCCC[C@H]32)c1[N+](=O)[O-] ZINC000371164297 373805576 /nfs/dbraw/zinc/80/55/76/373805576.db2.gz JVBYIPMQIQOCBT-MWLCHTKSSA-N 0 1 292.339 2.285 20 5 CEBDMN Cc1cccc2c1CN(CCn1cc([N+](=O)[O-])cn1)CC2 ZINC000277371076 374494878 /nfs/dbraw/zinc/49/48/78/374494878.db2.gz XOZZSYMBBKEBFF-UHFFFAOYSA-N 0 1 286.335 2.158 20 5 CEBDMN CC[C@@H](C)c1nc([C@H](C)Nc2c([N+](=O)[O-])ncn2C)n[nH]1 ZINC000277479882 374535143 /nfs/dbraw/zinc/53/51/43/374535143.db2.gz SIJIUSNUUQMFLA-SFYZADRCSA-N 0 1 293.331 2.133 20 5 CEBDMN C[C@@H]1CSCCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000277659348 374598055 /nfs/dbraw/zinc/59/80/55/374598055.db2.gz ZBGGTRACYUDJID-VIFPVBQESA-N 0 1 296.348 2.126 20 5 CEBDMN CCOC(=O)[C@@H](C)[C@@H](C)NCc1ccc([N+](=O)[O-])cc1F ZINC000283155262 375665161 /nfs/dbraw/zinc/66/51/61/375665161.db2.gz OSRUGBMJGVSUIC-VHSXEESVSA-N 0 1 298.314 2.411 20 5 CEBDMN COC(=O)[C@]1(C)CCN(Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000283198284 375672253 /nfs/dbraw/zinc/67/22/53/375672253.db2.gz RDPAHDMHZSLYRG-CQSZACIVSA-N 0 1 296.298 2.119 20 5 CEBDMN Cc1nc([C@H](C)Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])n[nH]1 ZINC000286319865 375911671 /nfs/dbraw/zinc/91/16/71/375911671.db2.gz IPIXWBBJDGVPCT-LURJTMIESA-N 0 1 292.255 2.103 20 5 CEBDMN COCC(COC)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000388404569 321885733 /nfs/dbraw/zinc/88/57/33/321885733.db2.gz RAOUHXRBSWUKRE-NSHDSACASA-N 0 1 282.340 2.215 20 5 CEBDMN CC[C@H](C)N(CCO)Cc1cc([N+](=O)[O-])ccc1OC ZINC000287492388 376243746 /nfs/dbraw/zinc/24/37/46/376243746.db2.gz SVEQDBBAOXHICI-NSHDSACASA-N 0 1 282.340 2.196 20 5 CEBDMN CC(C)(O)[C@H]1CCCN1Cc1ccc([N+](=O)[O-])cc1F ZINC000305753262 376473876 /nfs/dbraw/zinc/47/38/76/376473876.db2.gz ULRZNTDXXLTESV-CYBMUJFWSA-N 0 1 282.315 2.469 20 5 CEBDMN Cc1cc(N2CC(O)(C3CC3)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000317033930 376805874 /nfs/dbraw/zinc/80/58/74/376805874.db2.gz QROJPMIGHWEJFV-UHFFFAOYSA-N 0 1 299.330 2.413 20 5 CEBDMN CCOCC(C)(C)CNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000290602413 376848949 /nfs/dbraw/zinc/84/89/49/376848949.db2.gz JMUYNVZEVFNLNG-UHFFFAOYSA-N 0 1 296.323 2.093 20 5 CEBDMN O=[N+]([O-])c1cccc(CN2CC[C@H](n3cccn3)C2)c1 ZINC000291020406 377034631 /nfs/dbraw/zinc/03/46/31/377034631.db2.gz AFVDCGCKQZOMOZ-AWEZNQCLSA-N 0 1 272.308 2.238 20 5 CEBDMN CCN1C[C@@H](N[C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1=O ZINC000562789486 377001302 /nfs/dbraw/zinc/00/13/02/377001302.db2.gz CWMUURJYPYLDSB-RYUDHWBXSA-N 0 1 291.351 2.175 20 5 CEBDMN C[C@@H]1CC[C@H]([N@@H+](CCO)Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000330449561 377136495 /nfs/dbraw/zinc/13/64/95/377136495.db2.gz JDVOBLDYRHYAFV-YPMHNXCESA-N 0 1 294.351 2.283 20 5 CEBDMN CCC[C@@]1(CO)CCC[N@H+]1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000330465428 377146765 /nfs/dbraw/zinc/14/67/65/377146765.db2.gz VWPGCEVEWVNYKT-HNNXBMFYSA-N 0 1 294.351 2.427 20 5 CEBDMN C[C@@H]1CN(Cc2csc([N+](=O)[O-])c2)C[C@H]1C(N)=O ZINC000332638473 377652279 /nfs/dbraw/zinc/65/22/79/377652279.db2.gz AJXLOMVQJNNEQZ-VXNVDRBHSA-N 0 1 269.326 2.259 20 5 CEBDMN C[C@@H](CCc1ccccc1[N+](=O)[O-])NCc1ncccn1 ZINC000567488419 377828388 /nfs/dbraw/zinc/82/83/88/377828388.db2.gz RFXDAZIEHMWSPS-LBPRGKRZSA-N 0 1 286.335 2.496 20 5 CEBDMN Cc1cc([N+](=O)[O-])ccc1CNCc1n[nH]c(C(C)C)n1 ZINC000294694496 378012841 /nfs/dbraw/zinc/01/28/41/378012841.db2.gz CMXGAOJNYBZPTL-UHFFFAOYSA-N 0 1 289.339 2.435 20 5 CEBDMN CCOc1cc(CN2CCC[C@@H](O)[C@H]2C)ccc1[N+](=O)[O-] ZINC000296409815 378521364 /nfs/dbraw/zinc/52/13/64/378521364.db2.gz VCXMRKYRUCGNNG-BXUZGUMPSA-N 0 1 294.351 2.339 20 5 CEBDMN Cc1cc([N+](=O)[O-])ccc1NCCN1C[C@H]2CC[C@@H](C1)O2 ZINC000450792596 378583138 /nfs/dbraw/zinc/58/31/38/378583138.db2.gz OEQKDJRPFODPDZ-OKILXGFUSA-N 0 1 291.351 2.178 20 5 CEBDMN CC/C=C/CCN1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000298027804 378692961 /nfs/dbraw/zinc/69/29/61/378692961.db2.gz FLKANPNPPFDMOO-ONEGZZNKSA-N 0 1 290.367 2.468 20 5 CEBDMN CC[C@@H](N[C@H](CC)c1cccc([N+](=O)[O-])c1)C(=O)NC ZINC000453424538 378899977 /nfs/dbraw/zinc/89/99/77/378899977.db2.gz YGNRFIVFFQVGKS-CHWSQXEVSA-N 0 1 279.340 2.160 20 5 CEBDMN Cc1cnc(N2CCC(c3ccn[nH]3)CC2)c([N+](=O)[O-])c1 ZINC000515024689 379176294 /nfs/dbraw/zinc/17/62/94/379176294.db2.gz SVVWLERWGRPFHU-UHFFFAOYSA-N 0 1 287.323 2.405 20 5 CEBDMN C[C@@H](O)[C@H]1CCCCN1Cc1ccc([N+](=O)[O-])cc1F ZINC000304524906 379584643 /nfs/dbraw/zinc/58/46/43/379584643.db2.gz YYIXVUPCNXFSTP-QMTHXVAHSA-N 0 1 282.315 2.469 20 5 CEBDMN CCn1cc(CN(C)Cc2cc(O)ccc2[N+](=O)[O-])cn1 ZINC000549844479 380611967 /nfs/dbraw/zinc/61/19/67/380611967.db2.gz WGRIUIISZNNHTE-UHFFFAOYSA-N 0 1 290.323 2.149 20 5 CEBDMN O=C(c1cnc[nH]1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000493182718 380834195 /nfs/dbraw/zinc/83/41/95/380834195.db2.gz RIHHBRWDQXILNT-UHFFFAOYSA-N 0 1 286.291 2.123 20 5 CEBDMN O=[N+]([O-])c1cc(F)ccc1N1CCN(C2CCC2)CC1 ZINC000264967916 285095877 /nfs/dbraw/zinc/09/58/77/285095877.db2.gz OUPMEMQRKJRLPF-UHFFFAOYSA-N 0 1 279.315 2.408 20 5 CEBDMN O=[N+]([O-])c1ccc(CN2CCS[C@H]3COCC[C@@H]32)cc1 ZINC000135519408 285113491 /nfs/dbraw/zinc/11/34/91/285113491.db2.gz YZTNHFZJWLBNNN-KBPBESRZSA-N 0 1 294.376 2.301 20 5 CEBDMN O=[N+]([O-])c1cccc(F)c1N1CC[C@H](N2CC=CC2)C1 ZINC000287519497 285156566 /nfs/dbraw/zinc/15/65/66/285156566.db2.gz ZVDMIEQVLHFACQ-NSHDSACASA-N 0 1 277.299 2.184 20 5 CEBDMN COC(=O)[C@@]1(C)CCCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000412117263 533117320 /nfs/dbraw/zinc/11/73/20/533117320.db2.gz YZOLHKMQUZBYJR-HNNXBMFYSA-N 0 1 292.335 2.370 20 5 CEBDMN CC[N@H+]1CCC[C@H]1CNc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000211430878 394448385 /nfs/dbraw/zinc/44/83/85/394448385.db2.gz LEQDDUBYGNUPHS-NSHDSACASA-N 0 1 293.323 2.189 20 5 CEBDMN Cc1cc(N2CC[C@@](C)(O)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000228557282 394475204 /nfs/dbraw/zinc/47/52/04/394475204.db2.gz RWXTZQZMFLRGJU-OAHLLOKOSA-N 0 1 287.319 2.413 20 5 CEBDMN C[C@@H]1C[C@@H](C)[C@@H](C)N(Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000355745106 394519098 /nfs/dbraw/zinc/51/90/98/394519098.db2.gz ZWIRYVLKFNXIKG-GMTAPVOTSA-N 0 1 266.345 2.195 20 5 CEBDMN CC(C)[N@@H+](CCO)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000050445155 394554759 /nfs/dbraw/zinc/55/47/59/394554759.db2.gz SIZXPEPFMKQGIT-UHFFFAOYSA-N 0 1 272.732 2.451 20 5 CEBDMN CC(C)N(CCO)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000050445155 394554763 /nfs/dbraw/zinc/55/47/63/394554763.db2.gz SIZXPEPFMKQGIT-UHFFFAOYSA-N 0 1 272.732 2.451 20 5 CEBDMN COC[C@H]1CCN(Cc2csc([N+](=O)[O-])c2)C1 ZINC000265841465 394655006 /nfs/dbraw/zinc/65/50/06/394655006.db2.gz WQLUKNDODOABHT-VIFPVBQESA-N 0 1 256.327 2.125 20 5 CEBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(C)C1CCC1 ZINC000072722367 394599773 /nfs/dbraw/zinc/59/97/73/394599773.db2.gz LKMGVROJXFPQNF-UHFFFAOYSA-N 0 1 277.324 2.326 20 5 CEBDMN CCc1[nH]nc(C(=O)N2CC[C@@H](C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000278696188 394833291 /nfs/dbraw/zinc/83/32/91/394833291.db2.gz VREUQIGKEUQYRZ-BDAKNGLRSA-N 0 1 280.328 2.141 20 5 CEBDMN O=[N+]([O-])c1ccc(O)cc1CN[C@@H](CCO)c1ccco1 ZINC000339097823 394943282 /nfs/dbraw/zinc/94/32/82/394943282.db2.gz WKZMICOABYQDDJ-LBPRGKRZSA-N 0 1 292.291 2.107 20 5 CEBDMN C[C@H]1CC[N@@H+](C)CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000340377574 394984998 /nfs/dbraw/zinc/98/49/98/394984998.db2.gz ULDMWEFMAYGISA-NSHDSACASA-N 0 1 292.339 2.153 20 5 CEBDMN C[C@H]1CCOCCN1Cc1ccccc1[N+](=O)[O-] ZINC000367738684 394970361 /nfs/dbraw/zinc/97/03/61/394970361.db2.gz BWRBDVYUVPAXSH-NSHDSACASA-N 0 1 250.298 2.206 20 5 CEBDMN C[C@H](c1ccccc1[N+](=O)[O-])N1C[C@H](O)C2(CC2)C1 ZINC000494699629 395136559 /nfs/dbraw/zinc/13/65/59/395136559.db2.gz QPLOKNUFQWAUHN-MFKMUULPSA-N 0 1 262.309 2.113 20 5 CEBDMN C[C@@H]1C[C@H](CO)CN(Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000398814783 395238474 /nfs/dbraw/zinc/23/84/74/395238474.db2.gz QNBZNZWYGSJPCR-MNOVXSKESA-N 0 1 282.315 2.184 20 5 CEBDMN Cc1n[nH]cc1[C@H](C)NCc1ccc([N+](=O)[O-])cc1 ZINC000180826062 395205888 /nfs/dbraw/zinc/20/58/88/395205888.db2.gz MBBRYFGUXIIPFT-VIFPVBQESA-N 0 1 260.297 2.477 20 5 CEBDMN C[C@H](NCc1n[nH]c(C2CC2)n1)c1ccc([N+](=O)[O-])cc1 ZINC000296286223 395315421 /nfs/dbraw/zinc/31/54/21/395315421.db2.gz FEXOTBHNMSHTFS-VIFPVBQESA-N 0 1 287.323 2.441 20 5 CEBDMN CCO[C@@H]1C[C@@H]1NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000522058863 395258726 /nfs/dbraw/zinc/25/87/26/395258726.db2.gz KWPRTJKHNJBRJG-WCQYABFASA-N 0 1 250.298 2.170 20 5 CEBDMN CCOc1ccc([N+](=O)[O-])cc1CN(C)CC1CC(O)C1 ZINC000190167062 395336851 /nfs/dbraw/zinc/33/68/51/395336851.db2.gz DKLDYISFGGWSMI-UHFFFAOYSA-N 0 1 294.351 2.196 20 5 CEBDMN Cc1c(NC(=O)CCN2CC[C@@H](F)C2)cccc1[N+](=O)[O-] ZINC000451201898 395593695 /nfs/dbraw/zinc/59/36/95/395593695.db2.gz VVVHAGQTKSZCAI-LLVKDONJSA-N 0 1 295.314 2.276 20 5 CEBDMN Cc1c(CNC[C@@](C)(O)C(F)(F)F)cccc1[N+](=O)[O-] ZINC000312886711 289281664 /nfs/dbraw/zinc/28/16/64/289281664.db2.gz WAUFSPFVKPMDJA-LLVKDONJSA-N 0 1 292.257 2.306 20 5 CEBDMN CC(C)=CCNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000191816006 153189854 /nfs/dbraw/zinc/18/98/54/153189854.db2.gz BCVSTIXQBAEBCS-UHFFFAOYSA-N 0 1 274.280 2.167 20 5 CEBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCCC12CCCCCC2 ZINC000378509762 304395942 /nfs/dbraw/zinc/39/59/42/304395942.db2.gz VRFFQPKSAUWKST-VXGBXAGGSA-N 0 1 266.341 2.367 20 5 CEBDMN O=[N+]([O-])c1ccc(CN2CCC3(CCO3)CC2)cc1F ZINC000366989884 156111235 /nfs/dbraw/zinc/11/12/35/156111235.db2.gz QPODGRXKSYVXCG-UHFFFAOYSA-N 0 1 280.299 2.489 20 5 CEBDMN CC(C)COCCN1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000367050439 156120812 /nfs/dbraw/zinc/12/08/12/156120812.db2.gz PELHXESBBLPRRY-CYBMUJFWSA-N 0 1 296.371 2.101 20 5 CEBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)C1CCC1 ZINC000072722221 260278166 /nfs/dbraw/zinc/27/81/66/260278166.db2.gz LBQMEEUELAWHCM-UHFFFAOYSA-N 0 1 293.323 2.026 20 5 CEBDMN COCCN(Cc1ccc([N+](=O)[O-])cc1C)[C@H]1CCOC1 ZINC000426527190 271223645 /nfs/dbraw/zinc/22/36/45/271223645.db2.gz ACMYHHQXDOVKQW-HNNXBMFYSA-N 0 1 294.351 2.141 20 5 CEBDMN CCc1[nH]nc(C(=O)N(C)C2(C)CCCC2)c1[N+](=O)[O-] ZINC000428662167 271286174 /nfs/dbraw/zinc/28/61/74/271286174.db2.gz XODWDLUDYNHMAE-UHFFFAOYSA-N 0 1 280.328 2.285 20 5 CEBDMN Cn1nccc1CN[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192657530 274903934 /nfs/dbraw/zinc/90/39/34/274903934.db2.gz HLJPZNAJFGRPBG-OAHLLOKOSA-N 0 1 286.335 2.496 20 5 CEBDMN CC[C@@](C)(NCCn1ccc([N+](=O)[O-])n1)c1nccs1 ZINC000176260044 276534591 /nfs/dbraw/zinc/53/45/91/276534591.db2.gz IQLUCIQZWDHYMB-GFCCVEGCSA-N 0 1 295.368 2.163 20 5 CEBDMN CNC(=O)[C@H](C)CN(C)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000176350688 277248026 /nfs/dbraw/zinc/24/80/26/277248026.db2.gz PJYKPULZLJNSRL-SECBINFHSA-N 0 1 299.758 2.062 20 5 CEBDMN CC(C)c1[nH]nc(C(=O)N2CCC[C@H]2CF)c1[N+](=O)[O-] ZINC000294184980 278000149 /nfs/dbraw/zinc/00/01/49/278000149.db2.gz UCKYRIDCYYVGGV-QMMMGPOBSA-N 0 1 284.291 2.015 20 5 CEBDMN CC(C)c1[nH]nc(C(=O)N2C[C@H](C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000269468922 278001404 /nfs/dbraw/zinc/00/14/04/278001404.db2.gz INLODYSWXJFHNN-DTORHVGOSA-N 0 1 280.328 2.169 20 5 CEBDMN CC(=O)NCCCN(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000135226628 280039776 /nfs/dbraw/zinc/03/97/76/280039776.db2.gz GUNIRWPHNYKYDF-UHFFFAOYSA-N 0 1 291.351 2.085 20 5 CEBDMN C[C@@H](O)CCN(C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000135402120 280045412 /nfs/dbraw/zinc/04/54/12/280045412.db2.gz FEZLSOGNNYLRKI-SECBINFHSA-N 0 1 272.732 2.451 20 5 CEBDMN CCOC(=O)[C@H](C)[C@@H](C)NCc1csc([N+](=O)[O-])c1 ZINC000185715717 280126307 /nfs/dbraw/zinc/12/63/07/280126307.db2.gz BCQHYMJKAGBLRM-RKDXNWHRSA-N 0 1 286.353 2.334 20 5 CEBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCc1ccnn1C ZINC000152193645 289080653 /nfs/dbraw/zinc/08/06/53/289080653.db2.gz CRPUIJPDDJQDEK-NSHDSACASA-N 0 1 274.324 2.488 20 5 CEBDMN COCCCCN1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153221039 289107854 /nfs/dbraw/zinc/10/78/54/289107854.db2.gz IVACAYPWCXRVPZ-UHFFFAOYSA-N 0 1 264.325 2.380 20 5 CEBDMN CN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CC(C)(C)C1 ZINC000459740015 290222833 /nfs/dbraw/zinc/22/28/33/290222833.db2.gz LDSVHVMUQIUWMW-UHFFFAOYSA-N 0 1 291.351 2.314 20 5 CEBDMN CC[C@@H]1OCC[C@H]1NCc1c(F)cccc1[N+](=O)[O-] ZINC000459763963 290231453 /nfs/dbraw/zinc/23/14/53/290231453.db2.gz AZGKAZURIYAHGO-YPMHNXCESA-N 0 1 268.288 2.391 20 5 CEBDMN C[C@@H]1C[C@@H](O)CN1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000471799241 290283956 /nfs/dbraw/zinc/28/39/56/290283956.db2.gz QDDPQYQSOXKDPD-CBHWHFHUSA-N 0 1 262.309 2.063 20 5 CEBDMN CC[C@@H](N[C@@H]1COC[C@H]1OC)c1cccc([N+](=O)[O-])c1 ZINC000563126019 298739726 /nfs/dbraw/zinc/73/97/26/298739726.db2.gz QKGRVCDLTOTULO-MGPQQGTHSA-N 0 1 280.324 2.049 20 5 CEBDMN Cc1c(CN[C@H]2CCc3c2cccc3[N+](=O)[O-])cnn1C ZINC000566475112 298991822 /nfs/dbraw/zinc/99/18/22/298991822.db2.gz KBBATUSNUFUYLO-AWEZNQCLSA-N 0 1 286.335 2.414 20 5 CEBDMN O=C([O-])C1(C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)CC1 ZINC000566978956 299033508 /nfs/dbraw/zinc/03/35/08/299033508.db2.gz HMDDZPBFQLMRQP-UHFFFAOYSA-N 0 1 290.319 2.424 20 5 CEBDMN O=[N+]([O-])c1c[nH]c(-c2nc(-c3ccn4cncc4c3)no2)c1 ZINC000351081509 312971762 /nfs/dbraw/zinc/97/17/62/312971762.db2.gz PVDWDPFLGJLYNX-UHFFFAOYSA-N 0 1 296.246 2.288 20 5 CEBDMN Cc1c(C[N@@H+]2C[C@@H](C)[C@@](C)(C(=O)[O-])C2)cccc1[N+](=O)[O-] ZINC000580319699 322310865 /nfs/dbraw/zinc/31/08/65/322310865.db2.gz VRMFKCRDECAUQB-BMIGLBTASA-N 0 1 292.335 2.446 20 5 CEBDMN O=C(N[C@H]1CCC[C@H](F)C1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000580567548 322327084 /nfs/dbraw/zinc/32/70/84/322327084.db2.gz CWOIPJLKQFPEDE-UWVGGRQHSA-N 0 1 282.271 2.311 20 5 CEBDMN CCOc1ccc([N+](=O)[O-])cc1CN[C@@H]1CO[C@H](C)C1 ZINC000582002564 322438257 /nfs/dbraw/zinc/43/82/57/322438257.db2.gz SHWFSNVGJBFIAE-PWSUYJOCSA-N 0 1 280.324 2.261 20 5 CEBDMN Cc1ccc2nc(NC(=O)c3cc([N+](=O)[O-])cn3C)[nH]c2c1 ZINC000557813899 327028654 /nfs/dbraw/zinc/02/86/54/327028654.db2.gz FEJMWVUSHIYIFH-UHFFFAOYSA-N 0 1 299.290 2.370 20 5 CEBDMN COC(=O)N1CC(N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000181463141 523428824 /nfs/dbraw/zinc/42/88/24/523428824.db2.gz VWKFFFZWJWWETH-SNVBAGLBSA-N 0 1 293.323 2.004 20 5 CEBDMN C[C@H](NCc1cccc([N+](=O)[O-])c1)c1cnn(C)c1 ZINC000052926255 525458328 /nfs/dbraw/zinc/45/83/28/525458328.db2.gz FQDVIAWEHURWPM-JTQLQIEISA-N 0 1 260.297 2.179 20 5 CEBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@@H]1c1ccc(F)c(F)c1 ZINC000363403348 526508791 /nfs/dbraw/zinc/50/87/91/526508791.db2.gz AODLABMPBHFQIP-OASPWFOLSA-N 0 1 296.273 2.294 20 5 CEBDMN O=C(CN1CCC[C@@H]1C1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000363384018 526751684 /nfs/dbraw/zinc/75/16/84/526751684.db2.gz FBKGTPKXCLLONB-CYBMUJFWSA-N 0 1 289.335 2.408 20 5 CEBDMN O=[N+]([O-])c1ccn(C2CCN(Cc3cncs3)CC2)n1 ZINC000366011598 527407558 /nfs/dbraw/zinc/40/75/58/527407558.db2.gz NPLFCBNUQGMEHT-UHFFFAOYSA-N 0 1 293.352 2.085 20 5 CEBDMN O=C(Nc1cnoc1)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000061685466 527493350 /nfs/dbraw/zinc/49/33/50/527493350.db2.gz CGDQZLBWWIIDGH-UHFFFAOYSA-N 0 1 269.163 2.113 20 5 CEBDMN CC(C)[C@@H](C(=O)OCc1ccc([N+](=O)[O-])cc1)N(C)C ZINC000730089031 574501063 /nfs/dbraw/zinc/50/10/63/574501063.db2.gz MFSIEPRSWPBVBY-ZDUSSCGKSA-N 0 1 280.324 2.224 20 5 CEBDMN C[C@H]1CN(CCn2cc([N+](=O)[O-])cn2)Cc2ccccc21 ZINC000746653126 574509347 /nfs/dbraw/zinc/50/93/47/574509347.db2.gz JEUNFUCVZMGZSS-LBPRGKRZSA-N 0 1 286.335 2.411 20 5 CEBDMN Cc1csc(COC(=O)c2ccc([N+](=O)[O-])[nH]2)n1 ZINC000744310234 575118522 /nfs/dbraw/zinc/11/85/22/575118522.db2.gz UJRARMJOAJJQBM-UHFFFAOYSA-N 0 1 267.266 2.045 20 5 CEBDMN COC[C@@H]1CCCN1Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000751947704 575302079 /nfs/dbraw/zinc/30/20/79/575302079.db2.gz UEOYDOVETPJPQJ-ZDUSSCGKSA-N 0 1 290.323 2.013 20 5 CEBDMN C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](N(C)C(=O)[O-])C1 ZINC000825631588 603796547 /nfs/dbraw/zinc/79/65/47/603796547.db2.gz ZWJZCEXXLKWMPM-GXFFZTMASA-N 0 1 293.323 2.340 20 5 CEBDMN Cc1ccc([C@@H](C)NC(=O)CN2CCCC2)cc1[N+](=O)[O-] ZINC000820634597 634482583 /nfs/dbraw/zinc/48/25/83/634482583.db2.gz TXPBVLRKQCYWKT-GFCCVEGCSA-N 0 1 291.351 2.176 20 5 CEBDMN Cc1coc2ccc(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])cc12 ZINC000840424803 634668014 /nfs/dbraw/zinc/66/80/14/634668014.db2.gz BNIIHSRYRWBHNF-GHMZBOCLSA-N 0 1 260.249 2.345 20 5 CEBDMN C[C@H](COC(=O)c1ccc([N+](=O)[O-])[nH]1)[C@@H]1CCCCO1 ZINC000893505630 628659991 /nfs/dbraw/zinc/65/99/91/628659991.db2.gz ORVZLBVIEOCCGN-KOLCDFICSA-N 0 1 282.296 2.285 20 5 CEBDMN COCC1(NCc2cc(F)ccc2[N+](=O)[O-])CCOCC1 ZINC000821332293 634685982 /nfs/dbraw/zinc/68/59/82/634685982.db2.gz NZKYGBPLJVTRLB-UHFFFAOYSA-N 0 1 298.314 2.019 20 5 CEBDMN Cc1c(C[N@H+]2CC[C@H]3[C@@H](C2)[C@H]3C(=O)[O-])cccc1[N+](=O)[O-] ZINC000902554382 634720192 /nfs/dbraw/zinc/72/01/92/634720192.db2.gz LJWBZPZDDLRFGI-SCRDCRAPSA-N 0 1 290.319 2.056 20 5 CEBDMN CC(C)c1n[nH]c(COC(=O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000795296155 629511164 /nfs/dbraw/zinc/51/11/64/629511164.db2.gz HYGNUEMMVHQASY-UHFFFAOYSA-N 0 1 290.279 2.193 20 5 CEBDMN CC(C)c1nc(COC(=O)c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000795296155 629511169 /nfs/dbraw/zinc/51/11/69/629511169.db2.gz HYGNUEMMVHQASY-UHFFFAOYSA-N 0 1 290.279 2.193 20 5 CEBDMN C[C@]12CN(Cn3cc([N+](=O)[O-])cn3)C[C@H]1[C@H]1CC[C@@H]2C1 ZINC000902616109 634745670 /nfs/dbraw/zinc/74/56/70/634745670.db2.gz QDWUHUUAZWDPRL-UZGDPCLZSA-N 0 1 276.340 2.117 20 5 CEBDMN CN1CCN(c2ncccc2[N+](=O)[O-])C[C@@H]1C(C)(C)C ZINC000895098857 629892059 /nfs/dbraw/zinc/89/20/59/629892059.db2.gz CIPOLPSEPYXOLL-GFCCVEGCSA-N 0 1 278.356 2.156 20 5 CEBDMN O=[N+]([O-])c1cc(Cl)ccc1CN[C@H](CO)CCF ZINC000895177545 630006388 /nfs/dbraw/zinc/00/63/88/630006388.db2.gz GQWOMFOTKKWWSO-JTQLQIEISA-N 0 1 276.695 2.058 20 5 CEBDMN COc1c(O)ccc(CN[C@H]2C=CCC2)c1[N+](=O)[O-] ZINC000895338227 630122167 /nfs/dbraw/zinc/12/21/67/630122167.db2.gz PNRCMPNRDLKXCA-JTQLQIEISA-N 0 1 264.281 2.117 20 5 CEBDMN C[C@H]1[C@@H](Nc2nc3c(cc2[N+](=O)[O-])CCCC3)CC[N@H+]1C ZINC000895734957 630324890 /nfs/dbraw/zinc/32/48/90/630324890.db2.gz BGPVCLBBWBRRSA-JQWIXIFHSA-N 0 1 290.367 2.373 20 5 CEBDMN CN1CC[C@@H]1CNc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000895771292 630339542 /nfs/dbraw/zinc/33/95/42/630339542.db2.gz JTGPMUSRYSFJME-SECBINFHSA-N 0 1 287.266 2.312 20 5 CEBDMN C[C@@H]1C[C@H](C(=O)[O-])C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000263389664 631416759 /nfs/dbraw/zinc/41/67/59/631416759.db2.gz YMIHPXZFKXEDRO-YPMHNXCESA-N 0 1 292.335 2.180 20 5 CEBDMN CCn1ncc(CNC[C@@H](C)c2ccccc2[N+](=O)[O-])n1 ZINC000897464836 631531865 /nfs/dbraw/zinc/53/18/65/631531865.db2.gz PEVGJAJZKOLSAE-LLVKDONJSA-N 0 1 289.339 2.100 20 5 CEBDMN Cc1nc([C@@H](C)OC(=O)c2ccc(C)c([N+](=O)[O-])c2)n[nH]1 ZINC000840000721 631568033 /nfs/dbraw/zinc/56/80/33/631568033.db2.gz RISJJLRDAVXWNU-MRVPVSSYSA-N 0 1 290.279 2.248 20 5 CEBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCC[C@H]2C[C@H]21 ZINC000804302294 631660734 /nfs/dbraw/zinc/66/07/34/631660734.db2.gz HQANDCNXCPJDMR-QPUJVOFHSA-N 0 1 286.291 2.096 20 5 CEBDMN COC1(CCOC(=O)c2ccc([N+](=O)[O-])[nH]2)CCC1 ZINC000809055203 632043463 /nfs/dbraw/zinc/04/34/63/632043463.db2.gz MLNTWCIXIUHYTC-UHFFFAOYSA-N 0 1 268.269 2.039 20 5 CEBDMN CC(C)[C@H](N)c1noc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000041123346 632383302 /nfs/dbraw/zinc/38/33/02/632383302.db2.gz QUIPWOOIGMDPGS-JTQLQIEISA-N 0 1 262.269 2.301 20 5 CEBDMN Cc1ccc(-c2n[nH]c(SCC[N+](=O)[O-])n2)cc1 ZINC000899861122 633055564 /nfs/dbraw/zinc/05/55/64/633055564.db2.gz DSGMUJXQYOPTQP-UHFFFAOYSA-N 0 1 264.310 2.149 20 5 CEBDMN CC[N@@H+](CC(=O)[O-])C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000901425099 634104280 /nfs/dbraw/zinc/10/42/80/634104280.db2.gz SGNOANVEKJXCDD-YRNVUSSQSA-N 0 1 278.308 2.405 20 5 CEBDMN C[N@@H+](CC(=O)[O-])Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000901575070 634196296 /nfs/dbraw/zinc/19/62/96/634196296.db2.gz KZXLVNDRUANHBT-UHFFFAOYSA-N 0 1 292.213 2.130 20 5 CEBDMN O=C(N[C@H](C1CCCCC1)C(F)(F)F)[C@@H]1CC1[N+](=O)[O-] ZINC000840389466 634220952 /nfs/dbraw/zinc/22/09/52/634220952.db2.gz PIWVMGBSRFTNQI-OPRDCNLKSA-N 0 1 294.273 2.279 20 5 CEBDMN C[C@@H]1CCN[C@@H](c2nc(-c3ccc([N+](=O)[O-])o3)no2)C1 ZINC000823269684 635119290 /nfs/dbraw/zinc/11/92/90/635119290.db2.gz JVJQXRCALFRLPT-HTQZYQBOSA-N 0 1 278.268 2.298 20 5 CEBDMN O=C([O-])c1ccc([N+](=O)[O-])c(C[N@H+]2CCC[C@H](CF)C2)c1 ZINC000903608663 635175613 /nfs/dbraw/zinc/17/56/13/635175613.db2.gz ZKSUKBFHFZYOOC-SNVBAGLBSA-N 0 1 296.298 2.475 20 5 CEBDMN O=C([O-])c1ccc([N+](=O)[O-])c(C[N@H+]2CC[C@H](CF)C2)c1 ZINC000903610771 635190116 /nfs/dbraw/zinc/19/01/16/635190116.db2.gz GGFYBLUGXSGBGZ-SECBINFHSA-N 0 1 282.271 2.084 20 5 CEBDMN CC[C@H](C)[C@H](C(=O)[O-])[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000903962574 635372050 /nfs/dbraw/zinc/37/20/50/635372050.db2.gz JMKMSSANBMJWRP-IINYFYTJSA-N 0 1 292.335 2.452 20 5 CEBDMN O=[N+]([O-])CCNCc1ccc(OC2CCCC2)cc1 ZINC000905084495 635799577 /nfs/dbraw/zinc/79/95/77/635799577.db2.gz ZXOFWKARBGJHCQ-UHFFFAOYSA-N 0 1 264.325 2.374 20 5 CEBDMN CCc1nc[nH]c1C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000905850927 636507951 /nfs/dbraw/zinc/50/79/51/636507951.db2.gz YKZSVXBAXMDQRR-UHFFFAOYSA-N 0 1 286.291 2.083 20 5 CEBDMN CC(=O)c1ccc(OC(=O)[C@@H]2CC2[N+](=O)[O-])cc1Cl ZINC000906245621 636660139 /nfs/dbraw/zinc/66/01/39/636660139.db2.gz MPQLVEZLMSYEAN-MWLCHTKSSA-N 0 1 283.667 2.113 20 5 CEBDMN CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](C)C[C@H](C)C(=O)[O-] ZINC000830094633 636981275 /nfs/dbraw/zinc/98/12/75/636981275.db2.gz SNXOZXLSDZYXIN-JTQLQIEISA-N 0 1 296.323 2.146 20 5 CEBDMN Cc1cc(N[C@H]2CC[N@@H+](C)[C@H]2C)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000910355943 638025045 /nfs/dbraw/zinc/02/50/45/638025045.db2.gz PJULIGVWOGUKCJ-ONGXEEELSA-N 0 1 293.323 2.106 20 5 CEBDMN Cc1cc(CC(=O)OCc2ccc(C)c([N+](=O)[O-])c2)n[nH]1 ZINC000835482999 638275710 /nfs/dbraw/zinc/27/57/10/638275710.db2.gz BDELMBXCAPUVMM-UHFFFAOYSA-N 0 1 289.291 2.221 20 5 CEBDMN Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+](C)CC[C@H](C)O ZINC000876746746 650417170 /nfs/dbraw/zinc/41/71/70/650417170.db2.gz VULYTYBJJDWMEG-NSHDSACASA-N 0 1 266.341 2.414 20 5 CEBDMN C[C@H](OCC1CC1)C(=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837471610 639243302 /nfs/dbraw/zinc/24/33/02/639243302.db2.gz RFQNVBKJKXASIU-VIFPVBQESA-N 0 1 295.291 2.159 20 5 CEBDMN O=C(/C=C\C1CC1)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837551045 639278577 /nfs/dbraw/zinc/27/85/77/639278577.db2.gz UCPFYLGRRBJXHN-UTCJRWHESA-N 0 1 263.249 2.310 20 5 CEBDMN CC1(C)C[C@@H]1C(=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837593868 639299491 /nfs/dbraw/zinc/29/94/91/639299491.db2.gz ZIVLLAHJSDYOQO-SNVBAGLBSA-N 0 1 265.265 2.390 20 5 CEBDMN O=C(CSC1CC1)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837873852 639427198 /nfs/dbraw/zinc/42/71/98/639427198.db2.gz HBVVGTPZMACQQJ-UHFFFAOYSA-N 0 1 283.305 2.239 20 5 CEBDMN CO[C@H](C)CNCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000224191810 639443249 /nfs/dbraw/zinc/44/32/49/639443249.db2.gz YNNGFHQQZZYOEF-MRVPVSSYSA-N 0 1 258.705 2.373 20 5 CEBDMN O=Cc1c[nH]nc1C=Cc1cc(O)ccc1[N+](=O)[O-] ZINC000157276011 639479042 /nfs/dbraw/zinc/47/90/42/639479042.db2.gz QUQOTHFPQZKGIR-HNQUOIGGSA-N 0 1 259.221 2.006 20 5 CEBDMN C[C@@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])c1nc2ccccc2o1 ZINC000840673181 639521215 /nfs/dbraw/zinc/52/12/15/639521215.db2.gz JEZPFIIWCFDFOX-NQMVMOMDSA-N 0 1 276.248 2.097 20 5 CEBDMN Cc1cc(C)c(COC(=O)[C@@H]2CC2[N+](=O)[O-])c(C)c1 ZINC000840671472 639521783 /nfs/dbraw/zinc/52/17/83/639521783.db2.gz VKAQOVCHGXYMDI-DGCLKSJQSA-N 0 1 263.293 2.320 20 5 CEBDMN O=C(Oc1ccc(Br)cc1)[C@@H]1CC1[N+](=O)[O-] ZINC000840999990 639612830 /nfs/dbraw/zinc/61/28/30/639612830.db2.gz VADQALNRVJCJCO-RKDXNWHRSA-N 0 1 286.081 2.020 20 5 CEBDMN CC[C@@H](COC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccccc1 ZINC000842302099 640003866 /nfs/dbraw/zinc/00/38/66/640003866.db2.gz FDMTWZCOZDFRGA-CYZMBNFOSA-N 0 1 263.293 2.389 20 5 CEBDMN CCCONC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000844088119 640603184 /nfs/dbraw/zinc/60/31/84/640603184.db2.gz OESJJJAMXGKXHS-UHFFFAOYSA-N 0 1 284.287 2.469 20 5 CEBDMN CO[C@H]1CCC[C@@H](OC(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000920123848 641118569 /nfs/dbraw/zinc/11/85/69/641118569.db2.gz JFPFSCHBKICQTC-DTWKUNHWSA-N 0 1 268.269 2.037 20 5 CEBDMN O=[N+]([O-])c1ccc(Cl)cc1CN[C@H](CO)CCF ZINC000846097862 641181156 /nfs/dbraw/zinc/18/11/56/641181156.db2.gz XCLOSTYKGMDOBZ-JTQLQIEISA-N 0 1 276.695 2.058 20 5 CEBDMN C[C@@H]1CSCCCN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000889920358 641247868 /nfs/dbraw/zinc/24/78/68/641247868.db2.gz XQQUTWWQWDKFCV-SECBINFHSA-N 0 1 296.348 2.268 20 5 CEBDMN C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)C[C@@H](C)N1 ZINC000070076062 641629943 /nfs/dbraw/zinc/62/99/43/641629943.db2.gz MSUIBFDIPVKHMV-RKDXNWHRSA-N 0 1 297.742 2.071 20 5 CEBDMN CO[C@@H]1CN(Cc2c(C)ccc([N+](=O)[O-])c2C)C[C@@H]1OC ZINC000877475198 650738585 /nfs/dbraw/zinc/73/85/85/650738585.db2.gz NUVSIWZLWWBJJE-GASCZTMLSA-N 0 1 294.351 2.057 20 5 CEBDMN O=[N+]([O-])c1ccccc1CNC[C@]12OCCC[C@H]1C2(F)F ZINC000850378199 642689787 /nfs/dbraw/zinc/68/97/87/642689787.db2.gz XLEUYKPQTMUZIC-OLZOCXBDSA-N 0 1 298.289 2.499 20 5 CEBDMN CC[C@@H](NC)c1nc(-c2ccc([N+](=O)[O-])s2)no1 ZINC000854150666 643999177 /nfs/dbraw/zinc/99/91/77/643999177.db2.gz SYFCPKLWIOBEML-ZCFIWIBFSA-N 0 1 268.298 2.377 20 5 CEBDMN O=C(Nc1cscc1Br)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000854781150 644159706 /nfs/dbraw/zinc/15/97/06/644159706.db2.gz GMIWVYJAPIAZOQ-CLZZGJSISA-N 0 1 291.126 2.114 20 5 CEBDMN C[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000839459795 644235421 /nfs/dbraw/zinc/23/54/21/644235421.db2.gz UDHSGZKLVUXSMU-WHGOUJPWSA-N 0 1 268.700 2.182 20 5 CEBDMN CC(C)(C)[C@@H]1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000839686047 644773275 /nfs/dbraw/zinc/77/32/75/644773275.db2.gz UHCFCYNLANBITJ-IJLUTSLNSA-N 0 1 268.357 2.326 20 5 CEBDMN C[C@@H]1C[C@@H](c2ccccc2)CN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839683934 644784640 /nfs/dbraw/zinc/78/46/40/644784640.db2.gz SBAIJVGDSDDNRI-FMKGYKFTSA-N 0 1 274.320 2.056 20 5 CEBDMN CCCCC[C@@H]1CCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839706675 644787636 /nfs/dbraw/zinc/78/76/36/644787636.db2.gz ORPYEDFPLAASBO-IJLUTSLNSA-N 0 1 254.330 2.223 20 5 CEBDMN CC(C)(C)C[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])C(F)(F)F ZINC000839726239 644793438 /nfs/dbraw/zinc/79/34/38/644793438.db2.gz WDYKZMOPYKGAPH-PRJMDXOYSA-N 0 1 282.262 2.135 20 5 CEBDMN C[C@@H]1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC12CCCCC2 ZINC000839724932 644793590 /nfs/dbraw/zinc/79/35/90/644793590.db2.gz KKJFSRSELPFMST-JHJVBQTASA-N 0 1 280.368 2.471 20 5 CEBDMN CC[C@H](c1ccccc1OC)N(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839769001 644798817 /nfs/dbraw/zinc/79/88/17/644798817.db2.gz FLDYQXJBNAYWRR-JHJVBQTASA-N 0 1 292.335 2.270 20 5 CEBDMN CCSc1cccc(CNC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC000839775845 644812067 /nfs/dbraw/zinc/81/20/67/644812067.db2.gz HLZXRXVWKYRQBH-VXGBXAGGSA-N 0 1 280.349 2.080 20 5 CEBDMN O=C(N[C@@H]1CCCc2ccc(Cl)cc21)[C@@H]1CC1[N+](=O)[O-] ZINC000863809450 646826106 /nfs/dbraw/zinc/82/61/06/646826106.db2.gz OXGGOWJJARVONG-JHJVBQTASA-N 0 1 294.738 2.499 20 5 CEBDMN CN(Cc1cccnc1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776593865 647076514 /nfs/dbraw/zinc/07/65/14/647076514.db2.gz OAFCXQCNYFIHTA-OAHLLOKOSA-N 0 1 287.319 2.155 20 5 CEBDMN CC1(C)C[C@H](OC(=O)c2ccc([N+](=O)[O-])[nH]2)C(C)(C)O1 ZINC000783151366 647683402 /nfs/dbraw/zinc/68/34/02/647683402.db2.gz CCWKEHUUCURACM-VIFPVBQESA-N 0 1 282.296 2.426 20 5 CEBDMN Cc1cc(CC(=O)OCc2ccc([N+](=O)[O-])c(F)c2)n[nH]1 ZINC000784097755 647801762 /nfs/dbraw/zinc/80/17/62/647801762.db2.gz GDWAQMMUEAWJCF-UHFFFAOYSA-N 0 1 293.254 2.051 20 5 CEBDMN CC(C)[C@H](O)CN[C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872034853 649248590 /nfs/dbraw/zinc/24/85/90/649248590.db2.gz LQZRNLUAWSITIU-JOYOIKCWSA-N 0 1 270.304 2.401 20 5 CEBDMN O=C(OCC[C@H]1CCCC1(F)F)[C@@H]1CC1[N+](=O)[O-] ZINC000884550899 652910659 /nfs/dbraw/zinc/91/06/59/652910659.db2.gz OPZDQXPOQQUUNY-IWSPIJDZSA-N 0 1 263.240 2.020 20 5 CEBDMN Cc1cc(C)c([N+](=O)[O-])c(N2C[C@H](C)N(C)C[C@@H]2C)n1 ZINC000408169517 719208918 /nfs/dbraw/zinc/20/89/18/719208918.db2.gz OCLVZJAEQVEYPR-RYUDHWBXSA-N 0 1 278.356 2.135 20 5 CEBDMN C[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@H]1CC(=O)[O-] ZINC000722622680 802377913 /nfs/dbraw/zinc/37/79/13/802377913.db2.gz UQHFCOQLRPCBHK-ZYHUDNBSSA-N 0 1 278.308 2.137 20 5 CEBDMN Cc1cc(N[C@@H](C)CN2CCN(C)CC2)c([N+](=O)[O-])s1 ZINC000596119910 807175683 /nfs/dbraw/zinc/17/56/83/807175683.db2.gz APWZLEODDACYOU-JTQLQIEISA-N 0 1 298.412 2.013 20 5 CEBDMN Cc1cc(CNC(=O)c2cc([N+](=O)[O-])ccc2Cl)n[nH]1 ZINC000716768267 815145920 /nfs/dbraw/zinc/14/59/20/815145920.db2.gz LJNDSXANEWIGGX-UHFFFAOYSA-N 0 1 294.698 2.210 20 5 CEBDMN CC[S@@](=O)CCNCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000132713730 809234824 /nfs/dbraw/zinc/23/48/24/809234824.db2.gz AJLUSOIDDHPYCK-SFHVURJKSA-N 0 1 290.772 2.106 20 5 CEBDMN COC1(OC)CC[C@H]1N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000711422846 810070111 /nfs/dbraw/zinc/07/01/11/810070111.db2.gz CYPKHMHGNCAYAX-GXFFZTMASA-N 0 1 280.324 2.397 20 5 CEBDMN O=C(OCCCc1cccnc1)c1ccc([N+](=O)[O-])[nH]1 ZINC001122706659 815438146 /nfs/dbraw/zinc/43/81/46/815438146.db2.gz MFJGKCJYDIYPAS-UHFFFAOYSA-N 0 1 275.264 2.108 20 5 CEBDMN Cc1cnc(CN)n1-c1cc([N+](=O)[O-])cc2cc[nH]c21 ZINC001169028520 811342142 /nfs/dbraw/zinc/34/21/42/811342142.db2.gz JVHGPFRCXUFWEF-UHFFFAOYSA-N 0 1 271.280 2.029 20 5 CEBDMN CCOC(=O)[C@H]1C[C@H](C)CCN1[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169035157 811346115 /nfs/dbraw/zinc/34/61/15/811346115.db2.gz ATUWXBCVUAYGJR-AAVRWANBSA-N 0 1 298.383 2.095 20 5 CEBDMN O=[N+]([O-])c1ccc2c(c1)CC[C@H](NCc1ncccn1)CC2 ZINC001172897315 815539541 /nfs/dbraw/zinc/53/95/41/815539541.db2.gz YWWBWJSIJQEJKN-CQSZACIVSA-N 0 1 298.346 2.422 20 5 CEBDMN COc1cc([N+](=O)[O-])ccc1CN1CCC[C@@](C)(CO)C1 ZINC001116899383 814890754 /nfs/dbraw/zinc/89/07/54/814890754.db2.gz NVULJQZNTXMZMM-OAHLLOKOSA-N 0 1 294.351 2.198 20 5 CEBDMN CC/C=C(\C)C(=O)NCCNCc1csc([N+](=O)[O-])c1 ZINC001124343936 815611021 /nfs/dbraw/zinc/61/10/21/815611021.db2.gz GNABNZLTTQEJTL-ONNFQVAWSA-N 0 1 297.380 2.218 20 5 CEBDMN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)NCC(=O)c1cccnc1 ZINC001173219619 815625843 /nfs/dbraw/zinc/62/58/43/815625843.db2.gz OJYDGZQSSMEHPN-LBPRGKRZSA-N 0 1 299.330 2.393 20 5 CEBDMN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)NCc1ccon1 ZINC001173212564 815635346 /nfs/dbraw/zinc/63/53/46/815635346.db2.gz AYGZAMNRFKMALK-JTQLQIEISA-N 0 1 261.281 2.304 20 5 CEBDMN C[C@@H](O)CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000125179729 187173727 /nfs/dbraw/zinc/17/37/27/187173727.db2.gz BDUIFFXBWBBYPT-SECBINFHSA-N 0 1 293.348 2.189 20 5 CEBDMN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC(O)CC1 ZINC000026859301 343391224 /nfs/dbraw/zinc/39/12/24/343391224.db2.gz XTRXXCVKGQGLIF-JTQLQIEISA-N 0 1 250.298 2.113 20 5 CEBDMN Cc1ccc(CN2CCN(C3CC3)CC2)cc1[N+](=O)[O-] ZINC000127902120 187339977 /nfs/dbraw/zinc/33/99/77/187339977.db2.gz MNZZDHKFPRGHFT-UHFFFAOYSA-N 0 1 275.352 2.183 20 5 CEBDMN CC[C@@H](C(=O)[O-])[N@@H+](C)Cc1cccc([N+](=O)[O-])c1C ZINC000044623469 343476042 /nfs/dbraw/zinc/47/60/42/343476042.db2.gz CCPDNSBKRFWVHD-NSHDSACASA-N 0 1 266.297 2.198 20 5 CEBDMN CCOC(=O)[C@@H]1CCC[C@@H]1NCc1csc([N+](=O)[O-])c1 ZINC000449579560 282290511 /nfs/dbraw/zinc/29/05/11/282290511.db2.gz HGACWZFWIKLIDA-MNOVXSKESA-N 0 1 298.364 2.478 20 5 CEBDMN CCc1nc(CNc2c(F)cc([N+](=O)[O-])cc2F)n[nH]1 ZINC000295069618 199329003 /nfs/dbraw/zinc/32/90/03/199329003.db2.gz ZYYDOVDQJWMYAO-UHFFFAOYSA-N 0 1 283.238 2.166 20 5 CEBDMN Cc1ccc([C@H](C)NC(=O)[C@@H](C)N(C)C)cc1[N+](=O)[O-] ZINC000602116605 346977156 /nfs/dbraw/zinc/97/71/56/346977156.db2.gz NGULVSKZLZBCLR-WDEREUQCSA-N 0 1 279.340 2.031 20 5 CEBDMN CCC1(O)CCN(CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000075859562 343869738 /nfs/dbraw/zinc/86/97/38/343869738.db2.gz NTIGAXACJJYUGZ-UHFFFAOYSA-N 0 1 294.351 2.211 20 5 CEBDMN COc1ccc([N+](=O)[O-])cc1CN1CCCCC[C@@H]1CO ZINC000157129552 344445278 /nfs/dbraw/zinc/44/52/78/344445278.db2.gz QYJPEHMDRCKKPO-CQSZACIVSA-N 0 1 294.351 2.340 20 5 CEBDMN COc1ccc(-c2nc([C@H]3CCCN3)no2)cc1[N+](=O)[O-] ZINC000228560622 344561125 /nfs/dbraw/zinc/56/11/25/344561125.db2.gz TXTWTXSXNFWKIT-SECBINFHSA-N 0 1 290.279 2.078 20 5 CEBDMN C[C@H](C[N@@H+](C)[C@H](C)c1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC000251104247 344635525 /nfs/dbraw/zinc/63/55/25/344635525.db2.gz NSBWDRMCBHHYIA-NXEZZACHSA-N 0 1 266.297 2.308 20 5 CEBDMN C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C[C@@H]1COCCO1 ZINC000590684668 345160374 /nfs/dbraw/zinc/16/03/74/345160374.db2.gz OZAMHUONFMRNIV-BXUZGUMPSA-N 0 1 280.324 2.003 20 5 CEBDMN O=[N+]([O-])c1cccc(CN2CCC[C@@H]3COC[C@@H]32)c1 ZINC000590972202 345208419 /nfs/dbraw/zinc/20/84/19/345208419.db2.gz WGDKBWVJFFYXIW-OCCSQVGLSA-N 0 1 262.309 2.206 20 5 CEBDMN C[C@@H]1CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@H]1C(=O)[O-] ZINC000592396839 345349968 /nfs/dbraw/zinc/34/99/68/345349968.db2.gz BKNCPNLDPPEKDK-BXUZGUMPSA-N 0 1 292.335 2.180 20 5 CEBDMN O=C(N[C@@H]1CC[C@@H]2C[C@@H]2C1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000592902420 345413785 /nfs/dbraw/zinc/41/37/85/345413785.db2.gz GDECTDHNGNARAU-FXPVBKGRSA-N 0 1 276.292 2.219 20 5 CEBDMN C[C@@H]1CC[C@H](C(=O)[O-])[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000593290718 345463098 /nfs/dbraw/zinc/46/30/98/345463098.db2.gz NEODWLPXDBWPPT-BXKDBHETSA-N 0 1 264.281 2.032 20 5 CEBDMN CCN(CCC(=O)OC)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595298982 345757396 /nfs/dbraw/zinc/75/73/96/345757396.db2.gz UHJBRXSXRVXEIF-UHFFFAOYSA-N 0 1 284.287 2.119 20 5 CEBDMN C[C@H]1C[C@H](CO)CN(Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595553543 345811456 /nfs/dbraw/zinc/81/14/56/345811456.db2.gz XQNHXLHGDHYVSB-QWRGUYRKSA-N 0 1 282.315 2.184 20 5 CEBDMN Cc1noc(CN2C[C@H]3CCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000595339418 345764673 /nfs/dbraw/zinc/76/46/73/345764673.db2.gz OISRYIYHDZCTCL-NXEZZACHSA-N 0 1 251.286 2.123 20 5 CEBDMN CC[C@@H]1CN(C)CCN1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595504539 345797482 /nfs/dbraw/zinc/79/74/82/345797482.db2.gz FOSVYWIDCKNLED-CYBMUJFWSA-N 0 1 281.331 2.260 20 5 CEBDMN O=[N+]([O-])c1cccc(F)c1CN1CC[C@H]2COC[C@@H]2C1 ZINC000595835832 345892539 /nfs/dbraw/zinc/89/25/39/345892539.db2.gz WALHWFJNNUHCHI-QWRGUYRKSA-N 0 1 280.299 2.202 20 5 CEBDMN Cc1cc(N[C@@H](C)CC(N)=O)c2cc([N+](=O)[O-])ccc2n1 ZINC000167382922 232265551 /nfs/dbraw/zinc/26/55/51/232265551.db2.gz NFSZILXGKWRZFA-VIFPVBQESA-N 0 1 288.307 2.127 20 5 CEBDMN COc1ccc(CN2CC[C@H]3C[C@H]3C2)cc1[N+](=O)[O-] ZINC000595810467 345881505 /nfs/dbraw/zinc/88/15/05/345881505.db2.gz XSNBPYCEQNNPTF-RYUDHWBXSA-N 0 1 262.309 2.445 20 5 CEBDMN CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)[C@@H](C)C(=O)[O-] ZINC000595882602 345905226 /nfs/dbraw/zinc/90/52/26/345905226.db2.gz MREGGXHNGXOCJV-QMMMGPOBSA-N 0 1 270.260 2.029 20 5 CEBDMN C[C@@H](NCC(=O)NCC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000599350376 346504239 /nfs/dbraw/zinc/50/42/39/346504239.db2.gz WOJVJXUZIKUUET-LLVKDONJSA-N 0 1 293.367 2.408 20 5 CEBDMN O=[N+]([O-])c1cc(F)c(CNC2(CO)CCCC2)c(F)c1 ZINC000351761057 219199685 /nfs/dbraw/zinc/19/96/85/219199685.db2.gz WDJATLYDCHJBIV-UHFFFAOYSA-N 0 1 286.278 2.268 20 5 CEBDMN CO[C@H](C)[C@@H](C)NCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602666801 347132266 /nfs/dbraw/zinc/13/22/66/347132266.db2.gz KSANFPRTYXRWND-RKDXNWHRSA-N 0 1 279.296 2.249 20 5 CEBDMN Cc1ncc([N+](=O)[O-])n1CCN1CCC(F)(F)[C@H](C)C1 ZINC000602833302 347217322 /nfs/dbraw/zinc/21/73/22/347217322.db2.gz NPBNOINOLLFALZ-SECBINFHSA-N 0 1 288.298 2.077 20 5 CEBDMN C/C=C/C[C@H](CO)NCc1cc([N+](=O)[O-])ccc1OCC ZINC000603436895 347370104 /nfs/dbraw/zinc/37/01/04/347370104.db2.gz GRLHEVNRQKAWQH-MASHWEEQSA-N 0 1 294.351 2.410 20 5 CEBDMN C/C=C\C[C@H](CO)NCc1cc([N+](=O)[O-])ccc1OCC ZINC000603436889 347370313 /nfs/dbraw/zinc/37/03/13/347370313.db2.gz GRLHEVNRQKAWQH-HSBHDXMMSA-N 0 1 294.351 2.410 20 5 CEBDMN CC1(C)[C@H](NCc2cc([N+](=O)[O-])ccc2Cl)C[C@@H]1O ZINC000129654087 365883032 /nfs/dbraw/zinc/88/30/32/365883032.db2.gz XGYASAUXALFXDW-NEPJUHHUSA-N 0 1 284.743 2.497 20 5 CEBDMN CCc1[nH]nc(C(=O)N(C)Cc2ccsc2)c1[N+](=O)[O-] ZINC000609091418 347625575 /nfs/dbraw/zinc/62/55/75/347625575.db2.gz NLIMAAXQVMMFAL-UHFFFAOYSA-N 0 1 294.336 2.214 20 5 CEBDMN C[C@@H]1COCCCN1Cc1ccccc1[N+](=O)[O-] ZINC000610990757 347727852 /nfs/dbraw/zinc/72/78/52/347727852.db2.gz MINSQUVNNUEYPV-LLVKDONJSA-N 0 1 250.298 2.206 20 5 CEBDMN CC1(NC(=O)c2n[nH]cc2[N+](=O)[O-])CCC(F)(F)CC1 ZINC000612335276 347870871 /nfs/dbraw/zinc/87/08/71/347870871.db2.gz IGTOFHHOEVBXFQ-UHFFFAOYSA-N 0 1 288.254 2.016 20 5 CEBDMN CCN1CCN(c2cccc(C)c2[N+](=O)[O-])C[C@@H]1C ZINC000614976633 348262339 /nfs/dbraw/zinc/26/23/39/348262339.db2.gz ULTZZBSPLOVBIM-LBPRGKRZSA-N 0 1 263.341 2.434 20 5 CEBDMN Cc1nc(CCN(C)Cc2ccc([N+](=O)[O-])cc2C)no1 ZINC000273484320 192169967 /nfs/dbraw/zinc/16/99/67/192169967.db2.gz VKAFTRJFAANEML-UHFFFAOYSA-N 0 1 290.323 2.269 20 5 CEBDMN CCCc1[nH]nc(C(=O)N2C[C@H](C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000068392654 362940356 /nfs/dbraw/zinc/94/03/56/362940356.db2.gz QMDBKGNTXATJHO-AOOOYVTPSA-N 0 1 294.355 2.389 20 5 CEBDMN C[C@H]1CN(Cc2csc([N+](=O)[O-])c2)C[C@H](C)N1C ZINC000339624174 215273222 /nfs/dbraw/zinc/27/32/22/215273222.db2.gz XFFVIRAYEKQQDN-UWVGGRQHSA-N 0 1 269.370 2.181 20 5 CEBDMN COc1cc([N+](=O)[O-])ccc1CN1CCC[C@H](CO)CC1 ZINC000339751028 215325971 /nfs/dbraw/zinc/32/59/71/215325971.db2.gz DWDKECXVVPOBKN-LBPRGKRZSA-N 0 1 294.351 2.198 20 5 CEBDMN CN(Cc1ccccc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000352230916 219373741 /nfs/dbraw/zinc/37/37/41/219373741.db2.gz NBWFYSHBJRDJIO-LBPRGKRZSA-N 0 1 250.298 2.206 20 5 CEBDMN Cc1cc([C@H](C)NC(=O)c2n[nH]cc2[N+](=O)[O-])c(C)o1 ZINC000122760693 187049750 /nfs/dbraw/zinc/04/97/50/187049750.db2.gz NCXAEBLQVHKRRZ-ZETCQYMHSA-N 0 1 278.268 2.019 20 5 CEBDMN O=C(Nc1nncs1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000110187344 304022735 /nfs/dbraw/zinc/02/27/35/304022735.db2.gz WBOPVNZFBVJGEV-UHFFFAOYSA-N 0 1 284.684 2.352 20 5 CEBDMN Cc1cc(C)cc([C@H](C)NC(=O)c2n[nH]cc2[N+](=O)[O-])c1 ZINC000153442023 188082755 /nfs/dbraw/zinc/08/27/55/188082755.db2.gz IUILSVIXBBKNOO-JTQLQIEISA-N 0 1 288.307 2.426 20 5 CEBDMN C[C@@H]1[C@H](C)OCCN1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000156162746 188245967 /nfs/dbraw/zinc/24/59/67/188245967.db2.gz ZYDFNDOPJBJTHO-OLZOCXBDSA-N 0 1 294.351 2.473 20 5 CEBDMN COC(=O)N1CC(N[C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000495626761 291056792 /nfs/dbraw/zinc/05/67/92/291056792.db2.gz QYMTWNLEDRWTNG-JTQLQIEISA-N 0 1 293.323 2.004 20 5 CEBDMN CCO[C@@H]1COC[C@H]1N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000451941462 283148085 /nfs/dbraw/zinc/14/80/85/283148085.db2.gz YQXYGFIMRWBMKI-LERXQTSPSA-N 0 1 280.324 2.049 20 5 CEBDMN Cc1c(C[N@H+]2CCC[C@]2(C)C(=O)[O-])cccc1[N+](=O)[O-] ZINC000079487814 363607808 /nfs/dbraw/zinc/60/78/08/363607808.db2.gz XIPUXLNRIGIWBE-CQSZACIVSA-N 0 1 278.308 2.342 20 5 CEBDMN Cn1nccc1CNC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000080346921 363658410 /nfs/dbraw/zinc/65/84/10/363658410.db2.gz LNJAKNPELWWPIE-UHFFFAOYSA-N 0 1 274.324 2.353 20 5 CEBDMN COCc1cc(CNCCc2ccccc2[N+](=O)[O-])no1 ZINC000297329931 200150543 /nfs/dbraw/zinc/15/05/43/200150543.db2.gz CRVCVGKRPOPZND-UHFFFAOYSA-N 0 1 291.307 2.062 20 5 CEBDMN C[C@H]1C[C@@H]1c1ccc(CNCCn2cc([N+](=O)[O-])cn2)o1 ZINC000151257766 366633056 /nfs/dbraw/zinc/63/30/56/366633056.db2.gz IYALZCBCRBRYEK-GWCFXTLKSA-N 0 1 290.323 2.298 20 5 CEBDMN CCCc1[nH]nc(C(=O)N2CC[C@H](C)[C@@H]2C)c1[N+](=O)[O-] ZINC000177083329 189027542 /nfs/dbraw/zinc/02/75/42/189027542.db2.gz CPTKXKFDDNLHJJ-IUCAKERBSA-N 0 1 280.328 2.141 20 5 CEBDMN CC[N@H+]1CCC[C@H]1CNc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000019845197 361561701 /nfs/dbraw/zinc/56/17/01/361561701.db2.gz XLRFYXSYQFVLIU-NSHDSACASA-N 0 1 293.323 2.189 20 5 CEBDMN C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](C(=O)[O-])C1 ZINC000086728887 363839510 /nfs/dbraw/zinc/83/95/10/363839510.db2.gz AMXAEIWHDQEUKW-MNOVXSKESA-N 0 1 278.308 2.452 20 5 CEBDMN O=[N+]([O-])c1ccc(N[C@H]2CCN(Cc3ccco3)C2)nc1 ZINC000093534213 364197568 /nfs/dbraw/zinc/19/75/68/364197568.db2.gz OZWNLAUBPLFRMM-NSHDSACASA-N 0 1 288.307 2.269 20 5 CEBDMN O=C([O-])[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000093633533 364204523 /nfs/dbraw/zinc/20/45/23/364204523.db2.gz JTEHJYLVOBEVLY-QMMMGPOBSA-N 0 1 284.699 2.155 20 5 CEBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@@]2(CC=CCC2)C1 ZINC000377668453 296065583 /nfs/dbraw/zinc/06/55/83/296065583.db2.gz MYGLLXPFBGHWHJ-DYEKYZERSA-N 0 1 264.325 2.001 20 5 CEBDMN CC1(C)CN(Cc2ccc([N+](=O)[O-])cc2)CC[C@@H]1O ZINC000275537083 193070720 /nfs/dbraw/zinc/07/07/20/193070720.db2.gz YBCNVEGAHNSOQS-ZDUSSCGKSA-N 0 1 264.325 2.188 20 5 CEBDMN COc1ccc([N+](=O)[O-])cc1CN1[C@@H](C)CCC[C@H]1CO ZINC000159096333 366877183 /nfs/dbraw/zinc/87/71/83/366877183.db2.gz YZJTXUYLASKLNZ-FZMZJTMJSA-N 0 1 294.351 2.339 20 5 CEBDMN CC(C)CCC[C@@H](C)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000159569444 366926580 /nfs/dbraw/zinc/92/65/80/366926580.db2.gz LQWQNHYMAIVDQL-SECBINFHSA-N 0 1 268.317 2.263 20 5 CEBDMN C[C@@H](NCC(=O)NCC1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000180454543 368381531 /nfs/dbraw/zinc/38/15/31/368381531.db2.gz UBGBQACLHHHJGV-LLVKDONJSA-N 0 1 291.351 2.162 20 5 CEBDMN COc1cccc(N2CCN(C(C)C)CC2)c1[N+](=O)[O-] ZINC000185167211 368759110 /nfs/dbraw/zinc/75/91/10/368759110.db2.gz OWYZYNNHZLVGAV-UHFFFAOYSA-N 0 1 279.340 2.134 20 5 CEBDMN O=C([O-])[C@]12CCC[C@H]1C[N@@H+](Cc1csc([N+](=O)[O-])c1)C2 ZINC000346649458 368752074 /nfs/dbraw/zinc/75/20/74/368752074.db2.gz HTJFFZFGXXOBIX-GWCFXTLKSA-N 0 1 296.348 2.343 20 5 CEBDMN COc1ccc([N+](=O)[O-])cc1CN(C)[C@H](CO)CC(C)C ZINC000185344488 368792230 /nfs/dbraw/zinc/79/22/30/368792230.db2.gz HNEOSASKENRYJV-AWEZNQCLSA-N 0 1 296.367 2.442 20 5 CEBDMN C[C@@H]1CCN(C/C=C/c2ccccc2[N+](=O)[O-])C[C@@H]1O ZINC000349403045 369318865 /nfs/dbraw/zinc/31/88/65/369318865.db2.gz BFPZYMVFZAWDAS-NBOVPLECSA-N 0 1 276.336 2.311 20 5 CEBDMN O=C(NCc1ccc(Cl)cc1F)c1n[nH]cc1[N+](=O)[O-] ZINC000188664423 369390585 /nfs/dbraw/zinc/39/05/85/369390585.db2.gz WXMVGBXMHVBWJN-UHFFFAOYSA-N 0 1 298.661 2.040 20 5 CEBDMN Cc1ccc(CN2CC[C@H](O)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000190054342 369592618 /nfs/dbraw/zinc/59/26/18/369592618.db2.gz LEXFWUZYCVEIRW-RISCZKNCSA-N 0 1 264.325 2.106 20 5 CEBDMN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc2nc[nH]c2c1 ZINC000352629543 369812920 /nfs/dbraw/zinc/81/29/20/369812920.db2.gz ICULCCJJJQFJSR-UHFFFAOYSA-N 0 1 297.274 2.427 20 5 CEBDMN Cc1cc(NC[C@@H](O)C(F)F)c2cc([N+](=O)[O-])ccc2n1 ZINC000235894419 370579671 /nfs/dbraw/zinc/57/96/71/370579671.db2.gz JHZDPLAEUXWREW-GFCCVEGCSA-N 0 1 297.261 2.489 20 5 CEBDMN COCCCN(C)Cc1cc([N+](=O)[O-])ccc1OC ZINC000247843021 371144393 /nfs/dbraw/zinc/14/43/93/371144393.db2.gz LLVNIXNKPFFBRI-UHFFFAOYSA-N 0 1 268.313 2.072 20 5 CEBDMN O=C([C@H]1CC1[N+](=O)[O-])N1CCC2(CCCCC2)CC1 ZINC000359934143 371494774 /nfs/dbraw/zinc/49/47/74/371494774.db2.gz HTHFOCZBXJDWDE-NWDGAFQWSA-N 0 1 266.341 2.225 20 5 CEBDMN C[C@@H]1C[C@H](CO)CCN1Cc1cccc([N+](=O)[O-])c1 ZINC000344146343 217073347 /nfs/dbraw/zinc/07/33/47/217073347.db2.gz PTOYFSCYAOJJSW-DGCLKSJQSA-N 0 1 264.325 2.188 20 5 CEBDMN COc1cc([N+](=O)[O-])ccc1CN1CC[C@@H](CO)C[C@H]1C ZINC000344167678 217083121 /nfs/dbraw/zinc/08/31/21/217083121.db2.gz NQRAEFNENHOCDR-VXGBXAGGSA-N 0 1 294.351 2.196 20 5 CEBDMN Cc1c([C@H](C)N[C@H]2CCCN(C)C2=O)cccc1[N+](=O)[O-] ZINC000361965641 372148338 /nfs/dbraw/zinc/14/83/38/372148338.db2.gz IBIIOLJESVYTJW-AAEUAGOBSA-N 0 1 291.351 2.175 20 5 CEBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1C[C@@H](C)[C@H](C)C1 ZINC000362447567 372365471 /nfs/dbraw/zinc/36/54/71/372365471.db2.gz LJAZNDROBYBGRE-VXGBXAGGSA-N 0 1 291.351 2.430 20 5 CEBDMN O=C(NCc1cccc(-c2cccnc2)c1)[C@H]1CC1[N+](=O)[O-] ZINC000364097961 372665655 /nfs/dbraw/zinc/66/56/55/372665655.db2.gz OUSPTGSQOZIQAE-GJZGRUSLSA-N 0 1 297.314 2.030 20 5 CEBDMN O=C(N[C@@H]1CC[C@H](c2ccccc2F)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000369532365 373446495 /nfs/dbraw/zinc/44/64/95/373446495.db2.gz OKPYBSOBANMNGK-SVBLFDIKSA-N 0 1 292.310 2.243 20 5 CEBDMN CC(C)C1(CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1 ZINC000272703313 373622097 /nfs/dbraw/zinc/62/20/97/373622097.db2.gz VEAAXTXMEHTQFD-UHFFFAOYSA-N 0 1 278.308 2.466 20 5 CEBDMN CCC[C@@H]1CCCCN1C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000273589375 373766741 /nfs/dbraw/zinc/76/67/41/373766741.db2.gz OVNYWBWKEBVRQT-SNVBAGLBSA-N 0 1 280.328 2.421 20 5 CEBDMN COC(=O)[C@H]1CN(Cc2ccccc2[N+](=O)[O-])CC1(C)C ZINC000371152187 373803268 /nfs/dbraw/zinc/80/32/68/373803268.db2.gz UJIQGOVDRQZROR-GFCCVEGCSA-N 0 1 292.335 2.226 20 5 CEBDMN O=C(CN1CC[C@@H](C2CC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000371307826 373837571 /nfs/dbraw/zinc/83/75/71/373837571.db2.gz IOPMRTAPOXZFFX-GFCCVEGCSA-N 0 1 289.335 2.265 20 5 CEBDMN Cc1ccc([C@@H]2CCCCN2C(=O)[C@H]2CC2[N+](=O)[O-])o1 ZINC000371766440 373973319 /nfs/dbraw/zinc/97/33/19/373973319.db2.gz QGUGVPFKPQTPOH-SRVKXCTJSA-N 0 1 278.308 2.307 20 5 CEBDMN O=C(N[C@H]1C[C@H](c2cccc(Cl)c2)C1)[C@H]1CC1[N+](=O)[O-] ZINC000373876559 374437782 /nfs/dbraw/zinc/43/77/82/374437782.db2.gz QGTQKEPWROZIDB-XYJRDEOASA-N 0 1 294.738 2.367 20 5 CEBDMN CCCN(CC(C)C)C(=O)c1n[nH]c(CC)c1[N+](=O)[O-] ZINC000277675101 374606154 /nfs/dbraw/zinc/60/61/54/374606154.db2.gz ISRDJMOVDGQAKR-UHFFFAOYSA-N 0 1 282.344 2.389 20 5 CEBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@@H]1/C=C/c1ccccc1 ZINC000378590339 375133007 /nfs/dbraw/zinc/13/30/07/375133007.db2.gz PUGTUBIPFNZLNI-GQZKFOEBSA-N 0 1 286.331 2.356 20 5 CEBDMN O=C(N[C@@H]1CC[C@H]2CCC[C@H]2C1)c1n[nH]cc1[N+](=O)[O-] ZINC000408031152 375396816 /nfs/dbraw/zinc/39/68/16/375396816.db2.gz KZSAAHVQBGCVFM-KXUCPTDWSA-N 0 1 278.312 2.017 20 5 CEBDMN C[C@@H]1CC[C@@H](C)N1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000408162629 375419893 /nfs/dbraw/zinc/41/98/93/375419893.db2.gz YEEGILZWAKMBCD-RKDXNWHRSA-N 0 1 264.281 2.313 20 5 CEBDMN CC[C@@H](N[C@H](C)C(=O)NCCF)c1cccc([N+](=O)[O-])c1 ZINC000282937048 375618338 /nfs/dbraw/zinc/61/83/38/375618338.db2.gz YQIXRXFLUGIUQK-ZWNOBZJWSA-N 0 1 297.330 2.110 20 5 CEBDMN CC[C@H](C)[N@@H+](CCO)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000287359565 376214913 /nfs/dbraw/zinc/21/49/13/376214913.db2.gz LUTNWRUTQLZEKR-JTQLQIEISA-N 0 1 297.311 2.096 20 5 CEBDMN CC[C@H](C)N(CCO)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000287359565 376214917 /nfs/dbraw/zinc/21/49/17/376214917.db2.gz LUTNWRUTQLZEKR-JTQLQIEISA-N 0 1 297.311 2.096 20 5 CEBDMN CC[C@@H](C)N(CCO)Cc1ccc([N+](=O)[O-])cc1F ZINC000287593129 376269948 /nfs/dbraw/zinc/26/99/48/376269948.db2.gz YJGNWLONWIRIRY-SNVBAGLBSA-N 0 1 270.304 2.327 20 5 CEBDMN CC[C@H](CN1CCN(c2ccccc2[N+](=O)[O-])CC1)OC ZINC000419178814 376388938 /nfs/dbraw/zinc/38/89/38/376388938.db2.gz CEJRQGREVDELMO-CYBMUJFWSA-N 0 1 293.367 2.142 20 5 CEBDMN CCn1nccc1CN(C)CCc1ccccc1[N+](=O)[O-] ZINC000289672398 376439551 /nfs/dbraw/zinc/43/95/51/376439551.db2.gz ZDDNNCXTVPNUNJ-UHFFFAOYSA-N 0 1 288.351 2.486 20 5 CEBDMN C[C@@H]1CCN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000263748980 190076419 /nfs/dbraw/zinc/07/64/19/190076419.db2.gz SGALQCOBEILLRR-SNVBAGLBSA-N 0 1 288.307 2.487 20 5 CEBDMN CC[C@@H]1C[N@@H+](C)CCN1Cc1csc([N+](=O)[O-])c1 ZINC000556953309 376523849 /nfs/dbraw/zinc/52/38/49/376523849.db2.gz HUFYIGMDFHFBCF-LLVKDONJSA-N 0 1 269.370 2.182 20 5 CEBDMN CC[C@@H]1CN(C)CCN1Cc1csc([N+](=O)[O-])c1 ZINC000556953309 376523853 /nfs/dbraw/zinc/52/38/53/376523853.db2.gz HUFYIGMDFHFBCF-LLVKDONJSA-N 0 1 269.370 2.182 20 5 CEBDMN Cc1[nH]nc(C(=O)N([C@H](C)C2CC2)C2CC2)c1[N+](=O)[O-] ZINC000264243350 190099244 /nfs/dbraw/zinc/09/92/44/190099244.db2.gz FLKUMQWLSHXOAV-MRVPVSSYSA-N 0 1 278.312 2.029 20 5 CEBDMN CC[C@H](CNCc1cc(OC)c(OC)cc1[N+](=O)[O-])OC ZINC000289969943 376581948 /nfs/dbraw/zinc/58/19/48/376581948.db2.gz YXRSBBQWBQZSSJ-LLVKDONJSA-N 0 1 298.339 2.127 20 5 CEBDMN C[C@H]1CC[C@@H](C(N)=O)C[N@H+]1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000330566916 377188483 /nfs/dbraw/zinc/18/84/83/377188483.db2.gz AWDNRHYBQIIYAD-VHSXEESVSA-N 0 1 293.323 2.436 20 5 CEBDMN Cc1ccc(NC(=O)[C@H](C)Cc2cnc[nH]2)cc1[N+](=O)[O-] ZINC000563547220 377250352 /nfs/dbraw/zinc/25/03/52/377250352.db2.gz RHZHDAWEWHEGAG-SNVBAGLBSA-N 0 1 288.307 2.444 20 5 CEBDMN COCc1cc([N+](=O)[O-])ccc1N1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000292900738 377341495 /nfs/dbraw/zinc/34/14/95/377341495.db2.gz WQLADYHWYZCQSM-TXEJJXNPSA-N 0 1 293.367 2.270 20 5 CEBDMN CC[C@@H](F)CN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000331281201 377357955 /nfs/dbraw/zinc/35/79/55/377357955.db2.gz FTCRZVRMWVWOQC-SNVBAGLBSA-N 0 1 270.308 2.176 20 5 CEBDMN Cc1ccc(CN(C)C(=O)c2cc(O)cc([N+](=O)[O-])c2)o1 ZINC000427675879 377434030 /nfs/dbraw/zinc/43/40/30/377434030.db2.gz BIVHOCFLQZEZHC-UHFFFAOYSA-N 0 1 290.275 2.474 20 5 CEBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCc2ccccc2C1 ZINC000427676512 377434207 /nfs/dbraw/zinc/43/42/07/377434207.db2.gz AIFZFAQRHALFQJ-UHFFFAOYSA-N 0 1 298.298 2.499 20 5 CEBDMN CCOc1cc(CN2CCC[C@@H](O)CC2)ccc1[N+](=O)[O-] ZINC000293191270 377464659 /nfs/dbraw/zinc/46/46/59/377464659.db2.gz QFTBFZQVWAUHGJ-CYBMUJFWSA-N 0 1 294.351 2.340 20 5 CEBDMN CCN(Cc1cc(Cl)ccc1[N+](=O)[O-])[C@@H](C)CO ZINC000293477633 377583316 /nfs/dbraw/zinc/58/33/16/377583316.db2.gz RPPAKNGBLLAHAV-VIFPVBQESA-N 0 1 272.732 2.451 20 5 CEBDMN CC[C@@H](C)[C@H](CNC(=O)c1cc(O)cc([N+](=O)[O-])c1)OC ZINC000295322584 378105477 /nfs/dbraw/zinc/10/54/77/378105477.db2.gz BDOVQRPHRRXATN-RNCFNFMXSA-N 0 1 296.323 2.091 20 5 CEBDMN C[C@@H]1CCC[N@@H+](CCNC(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000298765023 378824335 /nfs/dbraw/zinc/82/43/35/378824335.db2.gz SAXGAWUYWAKZTF-SNVBAGLBSA-N 0 1 297.380 2.118 20 5 CEBDMN CON1CCC(N(C)Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000453614833 378922343 /nfs/dbraw/zinc/92/23/43/378922343.db2.gz DYBXKMSERSLOJS-UHFFFAOYSA-N 0 1 297.330 2.192 20 5 CEBDMN CCCN(CC)CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000299345569 378969583 /nfs/dbraw/zinc/96/95/83/378969583.db2.gz FURRCEZHWIFNAK-UHFFFAOYSA-N 0 1 295.339 2.274 20 5 CEBDMN CC[C@@H](C)N(CCO)Cc1csc([N+](=O)[O-])c1 ZINC000347467803 218245129 /nfs/dbraw/zinc/24/51/29/218245129.db2.gz FDIVZZMBQMOYAM-SECBINFHSA-N 0 1 258.343 2.249 20 5 CEBDMN CC(C)N(Cc1csc([N+](=O)[O-])c1)C[C@H](C)O ZINC000303984183 379503333 /nfs/dbraw/zinc/50/33/33/379503333.db2.gz HNYPVAYWEBFHSA-VIFPVBQESA-N 0 1 258.343 2.248 20 5 CEBDMN O=[N+]([O-])c1ccc(CN2CCS[C@@H]3COCC[C@H]32)cc1 ZINC000247421230 285113572 /nfs/dbraw/zinc/11/35/72/285113572.db2.gz YZTNHFZJWLBNNN-ZIAGYGMSSA-N 0 1 294.376 2.301 20 5 CEBDMN CC[C@@H]1CN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CCCO1 ZINC000281453627 195247075 /nfs/dbraw/zinc/24/70/75/195247075.db2.gz QSULKTVAPOTZJM-CABCVRRESA-N 0 1 294.351 2.129 20 5 CEBDMN COc1ccc([N+](=O)[O-])cc1CN1CCC[C@H](CO)[C@H]1C ZINC000412089618 533219420 /nfs/dbraw/zinc/21/94/20/533219420.db2.gz TULQPDAVYFMSQK-VXGBXAGGSA-N 0 1 294.351 2.196 20 5 CEBDMN CC(C)(O)[C@@H]1CCC[N@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000305179817 394498871 /nfs/dbraw/zinc/49/88/71/394498871.db2.gz MZDUWIVVSGDMLW-ZDUSSCGKSA-N 0 1 282.315 2.469 20 5 CEBDMN CC(C)(O)[C@@H]1CCCN1Cc1c(F)cccc1[N+](=O)[O-] ZINC000305179817 394498874 /nfs/dbraw/zinc/49/88/74/394498874.db2.gz MZDUWIVVSGDMLW-ZDUSSCGKSA-N 0 1 282.315 2.469 20 5 CEBDMN C[C@@H]1[C@@H](Nc2ncc([N+](=O)[O-])cc2F)CCCN1C ZINC000413233316 394508764 /nfs/dbraw/zinc/50/87/64/394508764.db2.gz DATIEVPLXRBGEW-KCJUWKMLSA-N 0 1 268.292 2.024 20 5 CEBDMN Cc1nc([C@H]2CCN(c3ccc([N+](=O)[O-])c(C)c3)C2)n[nH]1 ZINC000413550633 394580611 /nfs/dbraw/zinc/58/06/11/394580611.db2.gz KSHZBCSNUFSJCD-NSHDSACASA-N 0 1 287.323 2.324 20 5 CEBDMN Cc1nnc([C@H]2CCN(c3ccc([N+](=O)[O-])c(C)c3)C2)[nH]1 ZINC000413550633 394580614 /nfs/dbraw/zinc/58/06/14/394580614.db2.gz KSHZBCSNUFSJCD-NSHDSACASA-N 0 1 287.323 2.324 20 5 CEBDMN CC(C)(O)C[N@@H+](Cc1cc([O-])ccc1[N+](=O)[O-])C1CC1 ZINC000339094838 394943177 /nfs/dbraw/zinc/94/31/77/394943177.db2.gz XSOVJTPXFFEHDI-UHFFFAOYSA-N 0 1 280.324 2.036 20 5 CEBDMN CC(=O)c1cc([N+](=O)[O-])ccc1NC1CCN(C)CC1 ZINC000285983602 394995888 /nfs/dbraw/zinc/99/58/88/394995888.db2.gz CFWICNVVTMCMSQ-UHFFFAOYSA-N 0 1 277.324 2.304 20 5 CEBDMN O=[N+]([O-])c1ccccc1N[C@H]1CCc2[nH]cnc2C1 ZINC000370860628 395019378 /nfs/dbraw/zinc/01/93/78/395019378.db2.gz IRVRUHBZTMRXAU-VIFPVBQESA-N 0 1 258.281 2.287 20 5 CEBDMN C[C@H]1CC[C@H](C)N1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000138265896 394972771 /nfs/dbraw/zinc/97/27/71/394972771.db2.gz KNTYUENXACXTRN-IUCAKERBSA-N 0 1 288.307 2.484 20 5 CEBDMN COc1cc(CN[C@]2(C)CCO[C@H]2C)c([N+](=O)[O-])cc1F ZINC000494237208 395101788 /nfs/dbraw/zinc/10/17/88/395101788.db2.gz JNUNXUXWSURLIZ-LKFCYVNXSA-N 0 1 298.314 2.400 20 5 CEBDMN O=[N+]([O-])c1cccc(F)c1CN[C@@H]1CCO[C@H]1C1CC1 ZINC000494459061 395115504 /nfs/dbraw/zinc/11/55/04/395115504.db2.gz TVYSZQIPLMHUJJ-OCCSQVGLSA-N 0 1 280.299 2.391 20 5 CEBDMN CNC(=O)[C@H](C)N[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000291973492 395180951 /nfs/dbraw/zinc/18/09/51/395180951.db2.gz UFTQFVOEFFXSOT-ZANVPECISA-N 0 1 291.351 2.041 20 5 CEBDMN C[C@@H]1CN(Cc2c(F)cc([N+](=O)[O-])cc2F)[C@@H](C)CN1C ZINC000351760326 395232240 /nfs/dbraw/zinc/23/22/40/395232240.db2.gz UHNGWRSRXRLICS-ZJUUUORDSA-N 0 1 299.321 2.397 20 5 CEBDMN CCCc1[nH]nc(C(=O)N2CC[C@H](C(C)C)C2)c1[N+](=O)[O-] ZINC000446518368 395493266 /nfs/dbraw/zinc/49/32/66/395493266.db2.gz ALXMNORHUVSAAT-JTQLQIEISA-N 0 1 294.355 2.389 20 5 CEBDMN COC(=O)c1ccc([N+](=O)[O-])c(NCc2cn[nH]c2C)c1 ZINC000360149287 155229150 /nfs/dbraw/zinc/22/91/50/155229150.db2.gz QKBIERNPZGPNDP-UHFFFAOYSA-N 0 1 290.279 2.025 20 5 CEBDMN CCN(CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)C(C)C ZINC000195527353 153291027 /nfs/dbraw/zinc/29/10/27/153291027.db2.gz ASRQPOJLDLLKGW-UHFFFAOYSA-N 0 1 295.339 2.272 20 5 CEBDMN O=[N+]([O-])c1ccccc1CNCc1cccc(CO)c1 ZINC000222116392 153313046 /nfs/dbraw/zinc/31/30/46/153313046.db2.gz YXGDWQMKUHPWIB-UHFFFAOYSA-N 0 1 272.304 2.377 20 5 CEBDMN Cc1nccc(-c2ccc(NC(=O)[C@H]3C[C@H]3[N+](=O)[O-])cc2)n1 ZINC000368751500 156398894 /nfs/dbraw/zinc/39/88/94/156398894.db2.gz BXYDGSUGRDJBNT-GXTWGEPZSA-N 0 1 298.302 2.056 20 5 CEBDMN C[C@H]1Cc2ccccc2CN1CCn1ccc([N+](=O)[O-])n1 ZINC000176262823 165159432 /nfs/dbraw/zinc/15/94/32/165159432.db2.gz RIHDYLCUAQGXLZ-LBPRGKRZSA-N 0 1 286.335 2.238 20 5 CEBDMN CCCCN1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000077359463 177257211 /nfs/dbraw/zinc/25/72/11/177257211.db2.gz IFYOFDFPPMSSGP-UHFFFAOYSA-N 0 1 291.351 2.153 20 5 CEBDMN C[C@@H]1CN(C/C=C/c2ccccc2[N+](=O)[O-])CC[C@H]1O ZINC000250125814 270328410 /nfs/dbraw/zinc/32/84/10/270328410.db2.gz WFJMYKIVDPJDQM-YABQJVKDSA-N 0 1 276.336 2.311 20 5 CEBDMN CN(C[C@H]1CCCN1C)c1ncc([N+](=O)[O-])cc1Cl ZINC000420628123 270545841 /nfs/dbraw/zinc/54/58/41/270545841.db2.gz APDLLNQKOBLWJG-SECBINFHSA-N 0 1 284.747 2.174 20 5 CEBDMN O=C(N[C@H]1CC12CCCC2)c1cc(O)cc([N+](=O)[O-])c1 ZINC000430220135 271364473 /nfs/dbraw/zinc/36/44/73/271364473.db2.gz BMNQAARCQVVEMU-LBPRGKRZSA-N 0 1 276.292 2.363 20 5 CEBDMN COc1cc([N+](=O)[O-])ccc1CN1CCC([C@H](C)O)CC1 ZINC000430233228 271365545 /nfs/dbraw/zinc/36/55/45/271365545.db2.gz KNDCRBRFOXETBK-NSHDSACASA-N 0 1 294.351 2.196 20 5 CEBDMN COc1cc([N+](=O)[O-])ccc1CN1[C@H](C)CC(O)C[C@H]1C ZINC000430245575 271366589 /nfs/dbraw/zinc/36/65/89/271366589.db2.gz UBCIVNIUPXUNJD-GHMZBOCLSA-N 0 1 294.351 2.337 20 5 CEBDMN CCCN1CCN(c2cc(OC)ccc2[N+](=O)[O-])CC1 ZINC000266121866 273614180 /nfs/dbraw/zinc/61/41/80/273614180.db2.gz ACXUMYAOMDFJBO-UHFFFAOYSA-N 0 1 279.340 2.135 20 5 CEBDMN Cc1cccc([N+](=O)[O-])c1N1CC[C@@H](N2CC=CC2)C1 ZINC000266245670 274796755 /nfs/dbraw/zinc/79/67/55/274796755.db2.gz MALVNKPTDRUUPV-CYBMUJFWSA-N 0 1 273.336 2.354 20 5 CEBDMN COC(=O)CC1(NCc2ccccc2[N+](=O)[O-])CCC1 ZINC000353031824 277314897 /nfs/dbraw/zinc/31/48/97/277314897.db2.gz FNBARIZBXUPAGC-UHFFFAOYSA-N 0 1 278.308 2.170 20 5 CEBDMN CC(C)c1[nH]nc(C(=O)N2[C@H](C)CC[C@@H]2C)c1[N+](=O)[O-] ZINC000408400651 278001670 /nfs/dbraw/zinc/00/16/70/278001670.db2.gz VUKVNOCIBNAQKU-DTORHVGOSA-N 0 1 280.328 2.454 20 5 CEBDMN Cc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000121325277 279768519 /nfs/dbraw/zinc/76/85/19/279768519.db2.gz VGRNAOQSPKEQJR-UHFFFAOYSA-N 0 1 293.304 2.099 20 5 CEBDMN C[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])c1ccc(F)c(F)c1 ZINC000158950965 289243006 /nfs/dbraw/zinc/24/30/06/289243006.db2.gz MKEQHTNJMGIXIN-LURJTMIESA-N 0 1 296.233 2.087 20 5 CEBDMN COCC1(C)CN(Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000459619791 290196675 /nfs/dbraw/zinc/19/66/75/290196675.db2.gz HEOHHJXKFFGEJZ-UHFFFAOYSA-N 0 1 264.325 2.372 20 5 CEBDMN CCO[C@H]1C[C@@H](NCc2csc([N+](=O)[O-])c2)C1 ZINC000459642309 290203943 /nfs/dbraw/zinc/20/39/43/290203943.db2.gz GVWFKVUQUKUIMS-AOOOYVTPSA-N 0 1 256.327 2.313 20 5 CEBDMN C[C@@H]1CN(Cc2cc(O)ccc2[N+](=O)[O-])[C@H](C)[C@@H](C)O1 ZINC000339112769 297030288 /nfs/dbraw/zinc/03/02/88/297030288.db2.gz TVDRYMZGWOLAQF-GMTAPVOTSA-N 0 1 280.324 2.298 20 5 CEBDMN Cc1ccccc1[C@@H]1CCCN1C(=O)[C@H]1CC1[N+](=O)[O-] ZINC000372536616 302149961 /nfs/dbraw/zinc/14/99/61/302149961.db2.gz KTZCGQLKGBVROU-MELADBBJSA-N 0 1 274.320 2.324 20 5 CEBDMN O=[N+]([O-])c1ccc(CN2CC[C@H](Nc3ncccn3)C2)cc1 ZINC000572037829 314117930 /nfs/dbraw/zinc/11/79/30/314117930.db2.gz LWXRKGJFDXENBL-ZDUSSCGKSA-N 0 1 299.334 2.071 20 5 CEBDMN C[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C[C@@H]1C(=O)[O-] ZINC000573323761 314152529 /nfs/dbraw/zinc/15/25/29/314152529.db2.gz XTXFAGGQUSMZDK-CABZTGNLSA-N 0 1 296.298 2.277 20 5 CEBDMN Cc1ccc(CN(C)[C@@H](CO)COC(C)C)cc1[N+](=O)[O-] ZINC000576115819 314244071 /nfs/dbraw/zinc/24/40/71/314244071.db2.gz GPBVDWHWVAUNKK-AWEZNQCLSA-N 0 1 296.367 2.121 20 5 CEBDMN Cc1c(CN2CCCO[C@@H](CF)C2)cccc1[N+](=O)[O-] ZINC000411851787 533842206 /nfs/dbraw/zinc/84/22/06/533842206.db2.gz HDMKOJFWDBETSQ-ZDUSSCGKSA-N 0 1 282.315 2.464 20 5 CEBDMN C[C@@H]1CC[C@H](C)N1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000138265773 534224208 /nfs/dbraw/zinc/22/42/08/534224208.db2.gz KNTYUENXACXTRN-DTORHVGOSA-N 0 1 288.307 2.484 20 5 CEBDMN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCN[C@H](C)C1 ZINC000415292659 534321944 /nfs/dbraw/zinc/32/19/44/534321944.db2.gz HQEITWJYZJQMAR-SNVBAGLBSA-N 0 1 292.339 2.037 20 5 CEBDMN O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccc2[nH]nnc2c1 ZINC000175825597 534704288 /nfs/dbraw/zinc/70/42/88/534704288.db2.gz ZAZYPJMRPJANDU-UHFFFAOYSA-N 0 1 297.274 2.047 20 5 CEBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC=C(c2cccs2)CC1 ZINC000363410795 526500747 /nfs/dbraw/zinc/50/07/47/526500747.db2.gz HFSKTAWNGQXKCT-MNOVXSKESA-N 0 1 278.333 2.029 20 5 CEBDMN O=[N+]([O-])c1cc(Cl)cnc1N[C@H]1CCN(C2CC2)C1 ZINC000148506510 527335234 /nfs/dbraw/zinc/33/52/34/527335234.db2.gz KBHHSWZBNHJEDQ-VIFPVBQESA-N 0 1 282.731 2.292 20 5 CEBDMN CO[C@@H](CNCc1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000733328826 574664383 /nfs/dbraw/zinc/66/43/83/574664383.db2.gz DRMHIZLRCZUUHR-JTQLQIEISA-N 0 1 278.230 2.262 20 5 CEBDMN CN(C[C@H]1CC[N@H+](Cc2csc([N+](=O)[O-])c2)C1)C(=O)[O-] ZINC000739663949 574930378 /nfs/dbraw/zinc/93/03/78/574930378.db2.gz DGXIIFLHZUKVNQ-SECBINFHSA-N 0 1 299.352 2.088 20 5 CEBDMN CN(C[C@H]1CC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1)C(=O)[O-] ZINC000739663949 574930380 /nfs/dbraw/zinc/93/03/80/574930380.db2.gz DGXIIFLHZUKVNQ-SECBINFHSA-N 0 1 299.352 2.088 20 5 CEBDMN COC[C@H]1CCCN1Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000751950061 575302474 /nfs/dbraw/zinc/30/24/74/575302474.db2.gz ODJKDLAUKJEBQQ-CYBMUJFWSA-N 0 1 290.323 2.013 20 5 CEBDMN C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@](F)(C(=O)[O-])C1 ZINC000827942081 601438434 /nfs/dbraw/zinc/43/84/34/601438434.db2.gz OTOUYLCRFIJEID-ZANVPECISA-N 0 1 282.271 2.154 20 5 CEBDMN C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@](F)(C(=O)[O-])C1 ZINC000827942081 601438435 /nfs/dbraw/zinc/43/84/35/601438435.db2.gz OTOUYLCRFIJEID-ZANVPECISA-N 0 1 282.271 2.154 20 5 CEBDMN C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@](F)(C(=O)[O-])C1 ZINC000827949733 601442306 /nfs/dbraw/zinc/44/23/06/601442306.db2.gz OETKTHWAZNMUAH-TVQRCGJNSA-N 0 1 282.271 2.154 20 5 CEBDMN C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@](F)(C(=O)[O-])C1 ZINC000827949733 601442307 /nfs/dbraw/zinc/44/23/07/601442307.db2.gz OETKTHWAZNMUAH-TVQRCGJNSA-N 0 1 282.271 2.154 20 5 CEBDMN C[C@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C[C@@H]1C(=O)[O-] ZINC000828455999 601536753 /nfs/dbraw/zinc/53/67/53/601536753.db2.gz HZSCZXBJDFWIIC-KWQFWETISA-N 0 1 298.726 2.401 20 5 CEBDMN C[N@H+](Cc1c[nH]c(C(=O)[O-])c1)Cc1ccccc1[N+](=O)[O-] ZINC000833694553 604536118 /nfs/dbraw/zinc/53/61/18/604536118.db2.gz MCAFFDTYOSIKDW-UHFFFAOYSA-N 0 1 289.291 2.253 20 5 CEBDMN C[N@@H+](Cc1c[nH]c(C(=O)[O-])c1)Cc1ccccc1[N+](=O)[O-] ZINC000833694553 604536120 /nfs/dbraw/zinc/53/61/20/604536120.db2.gz MCAFFDTYOSIKDW-UHFFFAOYSA-N 0 1 289.291 2.253 20 5 CEBDMN C[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1C(=O)[O-] ZINC000251808378 605212685 /nfs/dbraw/zinc/21/26/85/605212685.db2.gz OHSXOPFCMJVUSP-GZMMTYOYSA-N 0 1 298.726 2.401 20 5 CEBDMN O=[N+]([O-])c1ccc(F)cc1CN1CCCC[C@@H]1CCO ZINC000050104916 623298507 /nfs/dbraw/zinc/29/85/07/623298507.db2.gz JNLKPOLXQBHLSN-CYBMUJFWSA-N 0 1 282.315 2.471 20 5 CEBDMN COc1c(O)ccc(CN(C)C2CCC2)c1[N+](=O)[O-] ZINC000892058694 624284948 /nfs/dbraw/zinc/28/49/48/624284948.db2.gz CYBQUNPKTWGXSB-UHFFFAOYSA-N 0 1 266.297 2.293 20 5 CEBDMN O=[N+]([O-])c1ccc(-c2noc([C@@H]3CCCCN3)n2)cc1 ZINC000035697355 628195720 /nfs/dbraw/zinc/19/57/20/628195720.db2.gz DJCONZUSRNMWMT-NSHDSACASA-N 0 1 274.280 2.459 20 5 CEBDMN Cn1cc(CNCc2ccc([N+](=O)[O-])cc2)c(C2CC2)n1 ZINC000893327650 628330892 /nfs/dbraw/zinc/33/08/92/628330892.db2.gz DENIGJIBHMTSRD-UHFFFAOYSA-N 0 1 286.335 2.496 20 5 CEBDMN O=C(OCCCOc1cccc(Cl)c1)[C@@H]1CC1[N+](=O)[O-] ZINC000840670880 629296133 /nfs/dbraw/zinc/29/61/33/629296133.db2.gz MSCHJEKMBFPFKI-VXGBXAGGSA-N 0 1 299.710 2.317 20 5 CEBDMN COC(=O)[C@H]1[C@@H]2CN([C@@H](C)c3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000794967316 629377758 /nfs/dbraw/zinc/37/77/58/629377758.db2.gz BBQCZOOPVQSDMS-PQFRYHKHSA-N 0 1 290.319 2.007 20 5 CEBDMN COC(=O)[C@H]1[C@@H]2CN([C@H](C)c3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000794967318 629378756 /nfs/dbraw/zinc/37/87/56/629378756.db2.gz BBQCZOOPVQSDMS-WUWHUORYSA-N 0 1 290.319 2.007 20 5 CEBDMN CO[C@@H](C)CN(C)Cn1nc(C)c2ccc([N+](=O)[O-])cc21 ZINC000795746162 629664459 /nfs/dbraw/zinc/66/44/59/629664459.db2.gz GUMIWNGNDSXIIN-JTQLQIEISA-N 0 1 292.339 2.177 20 5 CEBDMN Cc1ccnc(N2CCN(C)[C@H](C(C)(C)C)C2)c1[N+](=O)[O-] ZINC000895100398 629897000 /nfs/dbraw/zinc/89/70/00/629897000.db2.gz CERLQXXQSUGVHC-LBPRGKRZSA-N 0 1 292.383 2.465 20 5 CEBDMN CC1=NO[C@H](CNC/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000895310465 630098628 /nfs/dbraw/zinc/09/86/28/630098628.db2.gz HVKRJPUVHIPZTA-AGLBCWCQSA-N 0 1 275.308 2.362 20 5 CEBDMN COc1c(O)ccc(CN[C@@H]2C=CCC2)c1[N+](=O)[O-] ZINC000895338230 630122065 /nfs/dbraw/zinc/12/20/65/630122065.db2.gz PNRCMPNRDLKXCA-SNVBAGLBSA-N 0 1 264.281 2.117 20 5 CEBDMN CC(C)[C@H](C(=O)OCc1ccc([N+](=O)[O-])cc1F)N(C)C ZINC000803492355 631572544 /nfs/dbraw/zinc/57/25/44/631572544.db2.gz CMRRSWNBOPAMTD-CYBMUJFWSA-N 0 1 298.314 2.363 20 5 CEBDMN Cc1nc([C@H](C)OC(=O)c2cc([N+](=O)[O-])ccc2C)n[nH]1 ZINC000840226006 632357179 /nfs/dbraw/zinc/35/71/79/632357179.db2.gz SCNNPQOABYDKPV-QMMMGPOBSA-N 0 1 290.279 2.248 20 5 CEBDMN CC[C@@H](C)N(Cc1ccccc1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840324386 632872773 /nfs/dbraw/zinc/87/27/73/632872773.db2.gz ZKXMIEKCRPMIFA-MRVWCRGKSA-N 0 1 276.336 2.479 20 5 CEBDMN Cc1c(C)n(C)c2ccc(OC(=O)[C@@H]3CC3[N+](=O)[O-])cc12 ZINC000817762069 633739522 /nfs/dbraw/zinc/73/95/22/633739522.db2.gz OWESFDZBHRJIQC-TZMCWYRMSA-N 0 1 288.303 2.366 20 5 CEBDMN Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000840355799 633895274 /nfs/dbraw/zinc/89/52/74/633895274.db2.gz PYBWKPREGJECTP-HZGVNTEJSA-N 0 1 299.670 2.160 20 5 CEBDMN C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@H](C(=O)[O-])C1 ZINC000901491531 634142354 /nfs/dbraw/zinc/14/23/54/634142354.db2.gz SXJPIOXLHWXYAB-HJTPGIPUSA-N 0 1 290.319 2.405 20 5 CEBDMN C[C@@H](C[N@@H+](C)C/C=C/c1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC000901598282 634204860 /nfs/dbraw/zinc/20/48/60/634204860.db2.gz LZNITNDUQPQPNJ-ZRQQLDRUSA-N 0 1 278.308 2.261 20 5 CEBDMN C[C@H](NCc1cnc(N)s1)c1ccc([N+](=O)[O-])cc1 ZINC000824462803 635432869 /nfs/dbraw/zinc/43/28/69/635432869.db2.gz PDUHKSHOIDEPDN-QMMMGPOBSA-N 0 1 278.337 2.484 20 5 CEBDMN COc1ccc(NC(=O)CN(C)C2CCC2)cc1[N+](=O)[O-] ZINC000907300425 636986416 /nfs/dbraw/zinc/98/64/16/636986416.db2.gz PJKUZIFFWPWQRN-UHFFFAOYSA-N 0 1 293.323 2.026 20 5 CEBDMN CC[C@@H](OC(=O)c1ccc([N+](=O)[O-])[nH]1)C(F)(F)F ZINC000835652513 638340698 /nfs/dbraw/zinc/34/06/98/638340698.db2.gz RRYGDBYPIDXROL-ZCFIWIBFSA-N 0 1 266.175 2.421 20 5 CEBDMN CSC[C@@H](C)COC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000835671913 638347633 /nfs/dbraw/zinc/34/76/33/638347633.db2.gz UNIBSWFRABMVGU-ZETCQYMHSA-N 0 1 258.299 2.079 20 5 CEBDMN Cc1[nH]nc(C(=O)N2CC=CC23CCCCC3)c1[N+](=O)[O-] ZINC000912480722 638706755 /nfs/dbraw/zinc/70/67/55/638706755.db2.gz OIXIRDIBJBKYTE-UHFFFAOYSA-N 0 1 290.323 2.341 20 5 CEBDMN C[C@@H]1C[C@@H](C(=O)OCc2cc(O)ccc2[N+](=O)[O-])CCO1 ZINC000837617057 639310077 /nfs/dbraw/zinc/31/00/77/639310077.db2.gz UXYBNBUOENFOKN-ZJUUUORDSA-N 0 1 295.291 2.159 20 5 CEBDMN C[C@H]1COCC[C@H]1C(=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837672594 639336209 /nfs/dbraw/zinc/33/62/09/639336209.db2.gz DWQIJKDRWFFWNH-JOYOIKCWSA-N 0 1 295.291 2.016 20 5 CEBDMN CSc1ccccc1COC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840673495 639521294 /nfs/dbraw/zinc/52/12/94/639521294.db2.gz QFJYGAHLOARGNN-NXEZZACHSA-N 0 1 267.306 2.117 20 5 CEBDMN O=C(Nc1cnoc1)c1cc(F)c([N+](=O)[O-])cc1F ZINC000228625414 639648989 /nfs/dbraw/zinc/64/89/89/639648989.db2.gz LLFJQRFWKSQMMD-UHFFFAOYSA-N 0 1 269.163 2.113 20 5 CEBDMN Cc1cc(Cl)c(OC(=O)[C@@H]2CC2[N+](=O)[O-])cc1F ZINC000841234298 639714541 /nfs/dbraw/zinc/71/45/41/639714541.db2.gz HNOJLRIPJDPWAN-HZGVNTEJSA-N 0 1 273.647 2.358 20 5 CEBDMN CC(C)(C)[C@@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])C(F)(F)F ZINC000842324850 640016295 /nfs/dbraw/zinc/01/62/95/640016295.db2.gz HQRDZUVHWJLAEO-ATRFCDNQSA-N 0 1 269.219 2.172 20 5 CEBDMN O=C(OC[C@H]1CC[C@H](c2ccccc2)O1)[C@@H]1CC1[N+](=O)[O-] ZINC000842366523 640031107 /nfs/dbraw/zinc/03/11/07/640031107.db2.gz BHTZCUWKLUWENH-AAVRWANBSA-N 0 1 291.303 2.115 20 5 CEBDMN CCCN[C@H](C)c1nc(-c2ccc(N)c([N+](=O)[O-])c2)no1 ZINC000843170038 640323005 /nfs/dbraw/zinc/32/30/05/640323005.db2.gz ZFJXUCXKPAFEMD-MRVPVSSYSA-N 0 1 291.311 2.288 20 5 CEBDMN Cc1cc([N+](=O)[O-])ccc1-c1noc(CNCC2CC2)n1 ZINC000843187400 640338529 /nfs/dbraw/zinc/33/85/29/640338529.db2.gz PAXYYSHVWCTPPE-UHFFFAOYSA-N 0 1 288.307 2.453 20 5 CEBDMN O=[N+]([O-])c1ccc(CN[C@H]2COC[C@H]2C2CC2)c(F)c1 ZINC000914435323 640406987 /nfs/dbraw/zinc/40/69/87/640406987.db2.gz BILDKGQHAYXOIG-JSGCOSHPSA-N 0 1 280.299 2.249 20 5 CEBDMN Cc1c(-c2noc(CC(F)(F)CN)n2)cccc1[N+](=O)[O-] ZINC000844920676 640866529 /nfs/dbraw/zinc/86/65/29/640866529.db2.gz UFTLHEIMHXRQBK-UHFFFAOYSA-N 0 1 298.249 2.090 20 5 CEBDMN O=C(OCc1cccc(F)c1)c1ccc([N+](=O)[O-])[nH]1 ZINC000918490058 640962571 /nfs/dbraw/zinc/96/25/71/640962571.db2.gz JBMUECYONNQFKS-UHFFFAOYSA-N 0 1 264.212 2.419 20 5 CEBDMN Cc1nc2c(o1)CCC[C@@H]2OC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000847909964 641830760 /nfs/dbraw/zinc/83/07/60/641830760.db2.gz WCVBLVTXVFFZNL-JTQLQIEISA-N 0 1 291.263 2.454 20 5 CEBDMN CSC(C)(C)C(=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000849989607 642535093 /nfs/dbraw/zinc/53/50/93/642535093.db2.gz RBJKKIUEQSEIFM-UHFFFAOYSA-N 0 1 285.321 2.485 20 5 CEBDMN C[C@@]1(C(=O)[O-])CCC[N@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000079487171 642927410 /nfs/dbraw/zinc/92/74/10/642927410.db2.gz PQGJSOIUVHTTSR-ZDUSSCGKSA-N 0 1 282.271 2.173 20 5 CEBDMN CCOc1ccc([N+](=O)[O-])cc1CNC1CSC1 ZINC000877635285 650826623 /nfs/dbraw/zinc/82/66/23/650826623.db2.gz LKKUOAYJTDWAHX-UHFFFAOYSA-N 0 1 268.338 2.199 20 5 CEBDMN C[C@]12COC[C@@H]1CN(Cc1cc(F)ccc1[N+](=O)[O-])C2 ZINC000852535037 643462863 /nfs/dbraw/zinc/46/28/63/643462863.db2.gz UEFBQAQOWIDYFJ-FZMZJTMJSA-N 0 1 280.299 2.202 20 5 CEBDMN CC(=O)c1cc([N+](=O)[O-])ccc1N[C@@H]1CCN(C2CC2)C1 ZINC000853231383 643716765 /nfs/dbraw/zinc/71/67/65/643716765.db2.gz HOSYLJQGWKKJPT-LLVKDONJSA-N 0 1 289.335 2.446 20 5 CEBDMN CC(C)(CCC(=O)Nc1n[nH]c2cc(O)ccc21)[N+](=O)[O-] ZINC000854581563 644097067 /nfs/dbraw/zinc/09/70/67/644097067.db2.gz PMZFZHXJDJBZSP-UHFFFAOYSA-N 0 1 292.295 2.043 20 5 CEBDMN CC(C)CN(Cc1ccccc1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839686076 644772953 /nfs/dbraw/zinc/77/29/53/644772953.db2.gz KQRVDILXOQAXMW-ZIAGYGMSSA-N 0 1 276.336 2.336 20 5 CEBDMN CCC[C@@]1(C)CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839695084 644776470 /nfs/dbraw/zinc/77/64/70/644776470.db2.gz XHWXBOKAPSPNPW-WZRBSPASSA-N 0 1 254.330 2.080 20 5 CEBDMN C[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])C(C)(C)c1ccccc1 ZINC000839698006 644777188 /nfs/dbraw/zinc/77/71/88/644777188.db2.gz ACFGCNQIGSETLL-CYZMBNFOSA-N 0 1 276.336 2.134 20 5 CEBDMN C[C@H]1CCc2c(F)cccc2[C@H]1NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839701332 644778180 /nfs/dbraw/zinc/77/81/80/644778180.db2.gz OWNRGLJIMNBQID-RHBIEUIISA-N 0 1 292.310 2.231 20 5 CEBDMN CC[C@@H](C)n1ncc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1C1CC1 ZINC000839716351 644790702 /nfs/dbraw/zinc/79/07/02/644790702.db2.gz NTCPAGDBEXXTJO-HLUHBDAQSA-N 0 1 292.339 2.335 20 5 CEBDMN CC(C)[C@H]1CCC[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000839729016 644795025 /nfs/dbraw/zinc/79/50/25/644795025.db2.gz UVIBQTLHQDGVCY-WUHRBBMRSA-N 0 1 268.357 2.373 20 5 CEBDMN C[C@H](C(=O)NO[C@H]1CCCCO1)c1cccc([N+](=O)[O-])c1 ZINC000761680707 645308268 /nfs/dbraw/zinc/30/82/68/645308268.db2.gz VAFUOIJQMISGTA-GWCFXTLKSA-N 0 1 294.307 2.273 20 5 CEBDMN Cc1cccc([C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C(C)C)c1 ZINC000863036818 646621322 /nfs/dbraw/zinc/62/13/22/646621322.db2.gz FQIDHPBYDGZTJN-MCIONIFRSA-N 0 1 276.336 2.474 20 5 CEBDMN CS[C@H]1CC[C@@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000780590856 647449570 /nfs/dbraw/zinc/44/95/70/647449570.db2.gz VMABAODXSPSCJO-SKDRFNHKSA-N 0 1 296.348 2.314 20 5 CEBDMN C[C@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)c1ccc[nH]1 ZINC000780676782 647458765 /nfs/dbraw/zinc/45/87/65/647458765.db2.gz DXQZJFYTYCINAF-QMMMGPOBSA-N 0 1 275.264 2.120 20 5 CEBDMN O=C(NCc1ccsc1C(F)(F)F)[C@@H]1CC1[N+](=O)[O-] ZINC000869617311 648535285 /nfs/dbraw/zinc/53/52/85/648535285.db2.gz RKFSFRTVOYUSCZ-RNFRBKRXSA-N 0 1 294.254 2.048 20 5 CEBDMN O=C([O-])[C@]12CCC[C@H]1[N@@H+](Cc1ccc([N+](=O)[O-])cc1)CC2 ZINC000872170903 649306184 /nfs/dbraw/zinc/30/61/84/649306184.db2.gz KAGYZVPNBBXVTH-HIFRSBDPSA-N 0 1 290.319 2.424 20 5 CEBDMN COCC[N@@H+](C)CCNc1cc(Cl)ccc1[N+](=O)[O-] ZINC000124774084 649737812 /nfs/dbraw/zinc/73/78/12/649737812.db2.gz RPCAJIFVENKKHQ-UHFFFAOYSA-N 0 1 287.747 2.238 20 5 CEBDMN O=[N+]([O-])c1ccc(Cl)cc1NCCc1nc[nH]n1 ZINC000124784070 649738574 /nfs/dbraw/zinc/73/85/74/649738574.db2.gz INEPECQPZPYYLD-UHFFFAOYSA-N 0 1 267.676 2.021 20 5 CEBDMN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N[C@@H]1CCCN(C)C1 ZINC000874389972 649768220 /nfs/dbraw/zinc/76/82/20/649768220.db2.gz VHZZZLNOFPQXAH-GFCCVEGCSA-N 0 1 291.351 2.036 20 5 CEBDMN COc1cc([N+](=O)[O-])ccc1CN1C[C@@H](O)CC(C)(C)C1 ZINC000879624189 651332134 /nfs/dbraw/zinc/33/21/34/651332134.db2.gz OIGROWFBCOMUEV-ZDUSSCGKSA-N 0 1 294.351 2.196 20 5 CEBDMN O=[N+]([O-])c1cc(CN2CC[C@@H](CF)C2)c2c(c1)COCO2 ZINC000880292028 651415912 /nfs/dbraw/zinc/41/59/12/651415912.db2.gz LYKZFGCRGNJHHY-JTQLQIEISA-N 0 1 296.298 2.253 20 5 CEBDMN CN(Cc1cc(Cl)ccc1[N+](=O)[O-])C(C)(C)CO ZINC000135534957 652972151 /nfs/dbraw/zinc/97/21/51/652972151.db2.gz AGJIJZNYVFZMBG-UHFFFAOYSA-N 0 1 272.732 2.451 20 5 CEBDMN CC/C(C)=C/C(=O)NCCNCc1ccccc1[N+](=O)[O-] ZINC001126752261 806516585 /nfs/dbraw/zinc/51/65/85/806516585.db2.gz OEYFPYAZIANLAI-ZRDIBKRKSA-N 0 1 291.351 2.157 20 5 CEBDMN CN1CC[C@H](Nc2nc(C3CC3)nc(Cl)c2[N+](=O)[O-])C1 ZINC001167270043 802620007 /nfs/dbraw/zinc/62/00/07/802620007.db2.gz LBCSRJMMTYPTTQ-QMMMGPOBSA-N 0 1 297.746 2.032 20 5 CEBDMN CC[N@@H+]1CC[C@@H]1CNCc1ccc([N+](=O)[O-])cc1Cl ZINC000712593932 814754383 /nfs/dbraw/zinc/75/43/83/814754383.db2.gz GGSIFSBULKBZTK-GFCCVEGCSA-N 0 1 283.759 2.432 20 5 CEBDMN C[C@H]1CCCN1Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000173522196 803736074 /nfs/dbraw/zinc/73/60/74/803736074.db2.gz GEKHDQBRNQJXMU-JTQLQIEISA-N 0 1 260.297 2.386 20 5 CEBDMN CC(C)(O)[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000721788253 805417153 /nfs/dbraw/zinc/41/71/53/805417153.db2.gz LPJIFJZBDYVHQG-NSHDSACASA-N 0 1 282.315 2.327 20 5 CEBDMN CC(C)(O)[C@H]1CCN(Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000721788253 805417156 /nfs/dbraw/zinc/41/71/56/805417156.db2.gz LPJIFJZBDYVHQG-NSHDSACASA-N 0 1 282.315 2.327 20 5 CEBDMN C[C@@H](NC[C@](C)(O)C(F)F)c1ccccc1[N+](=O)[O-] ZINC000698567942 807247649 /nfs/dbraw/zinc/24/76/49/807247649.db2.gz DKEGLAPJSYVXRA-PELKAZGASA-N 0 1 274.267 2.262 20 5 CEBDMN C[C@H]1COC[C@@H]1NCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000699792852 807845866 /nfs/dbraw/zinc/84/58/66/807845866.db2.gz WSJYURYHHMQNBA-KWQFWETISA-N 0 1 270.716 2.373 20 5 CEBDMN Cc1cnc2c(c1)CN([C@H]1CC[C@@H](C[N+](=O)[O-])C1)CC2 ZINC001169048884 811356971 /nfs/dbraw/zinc/35/69/71/811356971.db2.gz VOFZMUNKLSWYRX-OCCSQVGLSA-N 0 1 275.352 2.194 20 5 CEBDMN CC1(C(=O)NCCNCc2csc([N+](=O)[O-])c2)CCC1 ZINC001132451797 812860064 /nfs/dbraw/zinc/86/00/64/812860064.db2.gz NZKHUQDENWTGNC-UHFFFAOYSA-N 0 1 297.380 2.052 20 5 CEBDMN CN(CCn1ccc([N+](=O)[O-])n1)Cc1cc2ccccc2[nH]1 ZINC001116235138 814841600 /nfs/dbraw/zinc/84/16/00/814841600.db2.gz OFYBDWCTVMIULT-UHFFFAOYSA-N 0 1 299.334 2.405 20 5 CEBDMN COc1ccc([N+](=O)[O-])c(C[C@H](C)NC2(C)COC2)c1F ZINC001173176435 815616468 /nfs/dbraw/zinc/61/64/68/815616468.db2.gz HCNIYGZNKDEROG-VIFPVBQESA-N 0 1 298.314 2.052 20 5 CEBDMN Cc1ccc(NCCCCN2CCOCC2)c([N+](=O)[O-])c1 ZINC000080574548 344014627 /nfs/dbraw/zinc/01/46/27/344014627.db2.gz FOFZDGIKYGLSFC-UHFFFAOYSA-N 0 1 293.367 2.428 20 5 CEBDMN CCc1[nH]n(-c2ccc([N+](=O)[O-])cc2OC)c(=O)c1C ZINC000601935351 346931450 /nfs/dbraw/zinc/93/14/50/346931450.db2.gz IORWCDUZYCGAMG-QMMMGPOBSA-N 0 1 277.280 2.352 20 5 CEBDMN CCc1c(C)[nH]n(-c2ccc([N+](=O)[O-])cc2F)c1=O ZINC000601942268 346935312 /nfs/dbraw/zinc/93/53/12/346935312.db2.gz KGBAJIYUDZCCCH-SECBINFHSA-N 0 1 265.244 2.483 20 5 CEBDMN CC[C@@H](C)[N@@H+](CC(=O)[O-])Cc1ccccc1[N+](=O)[O-] ZINC000037598752 343428918 /nfs/dbraw/zinc/42/89/18/343428918.db2.gz IBDLJUJVDQTAFT-SNVBAGLBSA-N 0 1 266.297 2.280 20 5 CEBDMN CN(CCC1(O)CCC1)Cc1ccccc1[N+](=O)[O-] ZINC000411130124 529875535 /nfs/dbraw/zinc/87/55/35/529875535.db2.gz HYUXENVXSMZTNX-UHFFFAOYSA-N 0 1 264.325 2.332 20 5 CEBDMN O=[N+]([O-])c1ccc2c(c1)CN(CCCCCO)CC2 ZINC000088606483 344112445 /nfs/dbraw/zinc/11/24/45/344112445.db2.gz LCJDFHSNRGQHOO-UHFFFAOYSA-N 0 1 264.325 2.116 20 5 CEBDMN COc1ccc(CN2CCC[C@@H]([C@H](C)O)C2)cc1[N+](=O)[O-] ZINC000089927356 344131588 /nfs/dbraw/zinc/13/15/88/344131588.db2.gz VMGHSXCBCIWFJI-WCQYABFASA-N 0 1 294.351 2.196 20 5 CEBDMN COc1ccc([N+](=O)[O-])cc1CN1CCC[C@H]([C@@H](C)O)C1 ZINC000089931746 344132189 /nfs/dbraw/zinc/13/21/89/344132189.db2.gz FBIMKYZHUUVKHH-NEPJUHHUSA-N 0 1 294.351 2.196 20 5 CEBDMN Cc1cc([N+](=O)[O-])ccc1N1CCN(C2CC2)CC1 ZINC000117192194 344288945 /nfs/dbraw/zinc/28/89/45/344288945.db2.gz IFFGTMZVXROXQR-UHFFFAOYSA-N 0 1 261.325 2.188 20 5 CEBDMN NC(=O)CC[C@H]1CCCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000170736797 344489117 /nfs/dbraw/zinc/48/91/17/344489117.db2.gz WHRZABVREDTATQ-GFCCVEGCSA-N 0 1 291.351 2.072 20 5 CEBDMN C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H](C(=O)[O-])[C@@H]1C ZINC000227582780 344554665 /nfs/dbraw/zinc/55/46/65/344554665.db2.gz QJPFOWHHRDPDHE-SCVCMEIPSA-N 0 1 278.308 2.451 20 5 CEBDMN C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@](C)(C(=O)[O-])C1 ZINC000227825935 344556974 /nfs/dbraw/zinc/55/69/74/344556974.db2.gz RPOPQXKQYVEBPN-YGRLFVJLSA-N 0 1 278.308 2.452 20 5 CEBDMN C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H](C(=O)[O-])[C@H]1C ZINC000252607274 344640776 /nfs/dbraw/zinc/64/07/76/344640776.db2.gz RGRFDOIHYWSSOG-BREBYQMCSA-N 0 1 278.308 2.451 20 5 CEBDMN C[C@@]1(NCc2nc3cc([N+](=O)[O-])ccc3o2)CCOC1 ZINC000602576275 347084835 /nfs/dbraw/zinc/08/48/35/347084835.db2.gz KUWSMDABHVLXHT-CYBMUJFWSA-N 0 1 277.280 2.005 20 5 CEBDMN O=C([O-])C[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000054300314 362523754 /nfs/dbraw/zinc/52/37/54/362523754.db2.gz MBEHTNDHICOXNS-GFCCVEGCSA-N 0 1 278.308 2.282 20 5 CEBDMN CO[C@@H]1CCC[C@H]1NCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000590758595 345175847 /nfs/dbraw/zinc/17/58/47/345175847.db2.gz GMYMGUZHHPYDSP-ZYHUDNBSSA-N 0 1 291.307 2.393 20 5 CEBDMN O=C(Nc1n[nH]c2cc(O)ccc21)c1ccc([N+](=O)[O-])cc1 ZINC000590558476 345145379 /nfs/dbraw/zinc/14/53/79/345145379.db2.gz PRLYCMQKQIQYDZ-UHFFFAOYSA-N 0 1 298.258 2.429 20 5 CEBDMN O=C([O-])CC[N@@H+](CCc1ccc([N+](=O)[O-])cc1)CC1CC1 ZINC000593745458 345531340 /nfs/dbraw/zinc/53/13/40/345531340.db2.gz ZWHLBRBUIQKGCK-UHFFFAOYSA-N 0 1 292.335 2.324 20 5 CEBDMN O=[N+]([O-])c1ccc([O-])cc1C[N@@H+]1CCCCC[C@@H]1CO ZINC000594017436 345567700 /nfs/dbraw/zinc/56/77/00/345567700.db2.gz ZYFRWBLYNCJILC-GFCCVEGCSA-N 0 1 280.324 2.037 20 5 CEBDMN CCN1CCN(c2c(OC)cccc2[N+](=O)[O-])C[C@@H]1C ZINC000594568566 345649323 /nfs/dbraw/zinc/64/93/23/345649323.db2.gz LROKKNOQPCGAGF-NSHDSACASA-N 0 1 279.340 2.134 20 5 CEBDMN O=[N+]([O-])c1ccccc1NCc1n[nH]c([C@@H]2CCCO2)n1 ZINC000594589019 345652603 /nfs/dbraw/zinc/65/26/03/345652603.db2.gz GYNRLSKIUQNDQS-NSHDSACASA-N 0 1 289.295 2.177 20 5 CEBDMN C[C@@H](O)[C@H]1CCCCN1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595312431 345759786 /nfs/dbraw/zinc/75/97/86/345759786.db2.gz MLYAURMZMOIIMS-ZWNOBZJWSA-N 0 1 282.315 2.469 20 5 CEBDMN CC[C@H](COC)NCc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000594921976 345703264 /nfs/dbraw/zinc/70/32/64/345703264.db2.gz NGSVBDDZDIOZGV-LLVKDONJSA-N 0 1 298.339 2.127 20 5 CEBDMN COC[C@@H](CN(Cc1cccc([N+](=O)[O-])c1)C1CC1)OC ZINC000595350463 345767159 /nfs/dbraw/zinc/76/71/59/345767159.db2.gz ATMLAECNEHXJSK-OAHLLOKOSA-N 0 1 294.351 2.221 20 5 CEBDMN Cc1noc(CN2CC[C@@H](C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000595405168 345775169 /nfs/dbraw/zinc/77/51/69/345775169.db2.gz UXLZSXOFPBHCLH-BDAKNGLRSA-N 0 1 253.302 2.369 20 5 CEBDMN CCC[C@@]1(CO)CCCN1Cc1onc(C)c1[N+](=O)[O-] ZINC000595466926 345790334 /nfs/dbraw/zinc/79/03/34/345790334.db2.gz SQJPMODAQQJGAW-ZDUSSCGKSA-N 0 1 283.328 2.018 20 5 CEBDMN CN(Cc1cnc[nH]1)Cc1ccc([N+](=O)[O-])cc1F ZINC000595596795 345821990 /nfs/dbraw/zinc/82/19/90/345821990.db2.gz NLQCVADAFPOTQB-UHFFFAOYSA-N 0 1 264.260 2.089 20 5 CEBDMN Cc1noc(CN2CCCCC[C@H]2C[C@@H](C)O)c1[N+](=O)[O-] ZINC000595490161 345794657 /nfs/dbraw/zinc/79/46/57/345794657.db2.gz DSTIKDJOQYSJAB-PWSUYJOCSA-N 0 1 297.355 2.407 20 5 CEBDMN CO[C@@H]1[C@H](C)[C@H](NCc2onc(C)c2[N+](=O)[O-])C1(C)C ZINC000595512167 345800910 /nfs/dbraw/zinc/80/09/10/345800910.db2.gz OAZJRHKEIFADNZ-VSYUYLJXSA-N 0 1 283.328 2.040 20 5 CEBDMN COc1ccc(CN2CC[C@@H]3COC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000595836658 345893139 /nfs/dbraw/zinc/89/31/39/345893139.db2.gz XXACISQVEUYYMK-OLZOCXBDSA-N 0 1 292.335 2.072 20 5 CEBDMN COc1cccc([N+](=O)[O-])c1N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000596090272 345937210 /nfs/dbraw/zinc/93/72/10/345937210.db2.gz ANBWUKOKIOCITJ-SNVBAGLBSA-N 0 1 277.324 2.252 20 5 CEBDMN COc1cccc([N+](=O)[O-])c1N[C@@H]1CCN(C2CC2)C1 ZINC000596090272 345937212 /nfs/dbraw/zinc/93/72/12/345937212.db2.gz ANBWUKOKIOCITJ-SNVBAGLBSA-N 0 1 277.324 2.252 20 5 CEBDMN CN(CCN1CCCC1)c1c(Cl)cncc1[N+](=O)[O-] ZINC000596112997 345942615 /nfs/dbraw/zinc/94/26/15/345942615.db2.gz ZDXLNLRHNFMIEV-UHFFFAOYSA-N 0 1 284.747 2.175 20 5 CEBDMN CN(C[C@H]1CCCN1C)c1c(Cl)cncc1[N+](=O)[O-] ZINC000596280013 345990277 /nfs/dbraw/zinc/99/02/77/345990277.db2.gz XVKXQIXRNKGMAG-SECBINFHSA-N 0 1 284.747 2.174 20 5 CEBDMN O=[N+]([O-])c1cccc(F)c1CNC1(CO)CCCC1 ZINC000175996793 232322759 /nfs/dbraw/zinc/32/27/59/232322759.db2.gz XINTYAGMUGHUNS-UHFFFAOYSA-N 0 1 268.288 2.129 20 5 CEBDMN CCO[C@@H]1C[C@@H]1NCc1ccc([N+](=O)[O-])cc1C ZINC000516905944 313097907 /nfs/dbraw/zinc/09/79/07/313097907.db2.gz UAUNJCAWHSOTLK-QWHCGFSZSA-N 0 1 250.298 2.170 20 5 CEBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CC[C@@H]1C(F)(F)F ZINC000597666941 346213152 /nfs/dbraw/zinc/21/31/52/346213152.db2.gz TXGXCRNBJFOKAZ-SECBINFHSA-N 0 1 290.197 2.077 20 5 CEBDMN CC(C)(F)CCNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000598199759 346303938 /nfs/dbraw/zinc/30/39/38/346303938.db2.gz UIHSTKLUWVVSAK-UHFFFAOYSA-N 0 1 270.260 2.168 20 5 CEBDMN C[C@@H](CNC(=O)c1n[nH]cc1[N+](=O)[O-])C1CCCCC1 ZINC000598439608 346357560 /nfs/dbraw/zinc/35/75/60/346357560.db2.gz PMCRHAGGDRSXFS-VIFPVBQESA-N 0 1 280.328 2.264 20 5 CEBDMN O=C(NCC1=CCCC1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000598374731 346341433 /nfs/dbraw/zinc/34/14/33/346341433.db2.gz CBMGONRSFPDMEP-UHFFFAOYSA-N 0 1 286.291 2.311 20 5 CEBDMN Cc1nccnc1CN(C)CCc1ccccc1[N+](=O)[O-] ZINC000598672445 346397402 /nfs/dbraw/zinc/39/74/02/346397402.db2.gz RPLCMZRYKAAFMS-UHFFFAOYSA-N 0 1 286.335 2.368 20 5 CEBDMN O=[N+]([O-])c1ccc(CN[C@@H](CO)c2ccccc2)cc1 ZINC000062999690 362739568 /nfs/dbraw/zinc/73/95/68/362739568.db2.gz YPTLWJXIOPKDME-HNNXBMFYSA-N 0 1 272.304 2.418 20 5 CEBDMN O=C(NC[C@@H]1CC[C@@H]2C[C@@H]2C1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000600171852 346613881 /nfs/dbraw/zinc/61/38/81/346613881.db2.gz XUCAAEJDUYXIAM-MXWKQRLJSA-N 0 1 290.319 2.466 20 5 CEBDMN O=C(NC[C@@H]1CC[C@H]2C[C@H]2C1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000600171853 346613951 /nfs/dbraw/zinc/61/39/51/346613951.db2.gz XUCAAEJDUYXIAM-OUAUKWLOSA-N 0 1 290.319 2.466 20 5 CEBDMN CC[C@H](C)CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000336812736 365852141 /nfs/dbraw/zinc/85/21/41/365852141.db2.gz SEXMHXBCYCVAJX-QMMMGPOBSA-N 0 1 290.316 2.058 20 5 CEBDMN O=[N+]([O-])c1ccc2nccc(N3CCN(C4CC4)CC3)c2c1 ZINC000601109574 346755428 /nfs/dbraw/zinc/75/54/28/346755428.db2.gz WQIJPNBIAGSCKB-UHFFFAOYSA-N 0 1 298.346 2.427 20 5 CEBDMN O=C(c1ccn[nH]1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000129595853 365875517 /nfs/dbraw/zinc/87/55/17/365875517.db2.gz NOKYILFTIXGHPT-UHFFFAOYSA-N 0 1 286.291 2.123 20 5 CEBDMN Cc1ncc([N+](=O)[O-])n1CCN(C)[C@H](C)c1ccccn1 ZINC000602801679 347205265 /nfs/dbraw/zinc/20/52/65/347205265.db2.gz YXXNAIFAZHCEJX-LLVKDONJSA-N 0 1 289.339 2.188 20 5 CEBDMN COCCN1CCC[C@H](Nc2sccc2[N+](=O)[O-])C1 ZINC000611413130 347776087 /nfs/dbraw/zinc/77/60/87/347776087.db2.gz VJCJLOLUKDTKQV-JTQLQIEISA-N 0 1 285.369 2.179 20 5 CEBDMN O=C([O-])C[C@H]1CCC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000610896933 347721318 /nfs/dbraw/zinc/72/13/18/347721318.db2.gz DZUPSGCOZLBTBF-SNVBAGLBSA-N 0 1 296.298 2.421 20 5 CEBDMN C[C@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)C1CCC1 ZINC000611559340 347794542 /nfs/dbraw/zinc/79/45/42/347794542.db2.gz JWUXOSYQTCYXPT-QMMMGPOBSA-N 0 1 264.281 2.219 20 5 CEBDMN Cc1cc(NCc2cccnn2)c2cc([N+](=O)[O-])ccc2n1 ZINC000336865980 365929734 /nfs/dbraw/zinc/92/97/34/365929734.db2.gz VQPUFZNCUQQANN-UHFFFAOYSA-N 0 1 295.302 2.275 20 5 CEBDMN CCc1nnc([C@H](C)NCCc2ccc([N+](=O)[O-])cc2)[nH]1 ZINC000613066837 347968238 /nfs/dbraw/zinc/96/82/38/347968238.db2.gz APXZOVDBHHSCNS-JTQLQIEISA-N 0 1 289.339 2.169 20 5 CEBDMN C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H](C(=O)[O-])C1 ZINC000086790464 179334608 /nfs/dbraw/zinc/33/46/08/179334608.db2.gz AIXKBHWQUWJGTA-ONGXEEELSA-N 0 1 264.281 2.062 20 5 CEBDMN CCCc1[nH]nc(C(=O)N2C[C@@H](C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000068392656 362939963 /nfs/dbraw/zinc/93/99/63/362939963.db2.gz QMDBKGNTXATJHO-UWVGGRQHSA-N 0 1 294.355 2.389 20 5 CEBDMN CC(C)(NC(=O)c1cc(O)cc([N+](=O)[O-])c1)C(F)F ZINC000619421812 349176176 /nfs/dbraw/zinc/17/61/76/349176176.db2.gz GQRJVCVLWFNZRE-UHFFFAOYSA-N 0 1 274.223 2.074 20 5 CEBDMN CN(Cc1ccc([N+](=O)[O-])cc1Cl)CC1CC(O)C1 ZINC000091489710 180169057 /nfs/dbraw/zinc/16/90/57/180169057.db2.gz VEIVOZIXEFHCFQ-UHFFFAOYSA-N 0 1 284.743 2.451 20 5 CEBDMN C[C@@H](NCC(=O)NC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000105895622 186085194 /nfs/dbraw/zinc/08/51/94/186085194.db2.gz FQSCCSBZWPRDJB-SNVBAGLBSA-N 0 1 279.340 2.160 20 5 CEBDMN CC(C)(NCCN1CCCC1=O)c1ccccc1[N+](=O)[O-] ZINC000292097975 198162335 /nfs/dbraw/zinc/16/23/35/198162335.db2.gz HNHMVZOBENHHTE-UHFFFAOYSA-N 0 1 291.351 2.042 20 5 CEBDMN COc1cc(CN[C@@H](C)c2cn[nH]c2)ccc1[N+](=O)[O-] ZINC000494635211 290984971 /nfs/dbraw/zinc/98/49/71/290984971.db2.gz FSKJBMXBSIHYEX-VIFPVBQESA-N 0 1 276.296 2.177 20 5 CEBDMN O=[N+]([O-])c1ccc(CCN2CCOC3(CCC3)C2)cc1 ZINC000154321053 188135882 /nfs/dbraw/zinc/13/58/82/188135882.db2.gz CZEIWDOBXQTBDZ-UHFFFAOYSA-N 0 1 276.336 2.392 20 5 CEBDMN CC(C)[C@H](O)CNCc1cc([N+](=O)[O-])ccc1Cl ZINC000134695143 366351888 /nfs/dbraw/zinc/35/18/88/366351888.db2.gz MKLKMDICSJWSSV-GFCCVEGCSA-N 0 1 272.732 2.355 20 5 CEBDMN C[C@@H](O)CCCN1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000570496712 299259579 /nfs/dbraw/zinc/25/95/79/299259579.db2.gz WWSUQBIGEFEYST-LLVKDONJSA-N 0 1 264.325 2.114 20 5 CEBDMN C[C@H](NCC(=O)NC1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000296835813 200011119 /nfs/dbraw/zinc/01/11/19/200011119.db2.gz WUUJDIBFBAPILB-NSHDSACASA-N 0 1 291.351 2.304 20 5 CEBDMN Cc1nc(N[C@H](C)c2n[nH]c(C(C)C)n2)ncc1[N+](=O)[O-] ZINC000297511523 200214587 /nfs/dbraw/zinc/21/45/87/200214587.db2.gz NUCDYSFGJCENMQ-MRVPVSSYSA-N 0 1 291.315 2.108 20 5 CEBDMN CC[C@@](C)(CO)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000080886620 363689284 /nfs/dbraw/zinc/68/92/84/363689284.db2.gz YENYJJADUAEPKC-LBPRGKRZSA-N 0 1 272.732 2.499 20 5 CEBDMN O=[N+]([O-])c1ccc(O)cc1CN(CCO)c1ccccc1 ZINC000339017934 366616009 /nfs/dbraw/zinc/61/60/09/366616009.db2.gz TXIFNTGDSKYBNY-UHFFFAOYSA-N 0 1 288.303 2.299 20 5 CEBDMN COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H]1CC(=O)[O-] ZINC000579364896 366635399 /nfs/dbraw/zinc/63/53/99/366635399.db2.gz DVVRBCBGXBGVAQ-LLVKDONJSA-N 0 1 294.307 2.043 20 5 CEBDMN O=C(NCC1CCCCCCC1)c1n[nH]cc1[N+](=O)[O-] ZINC000179567584 189203241 /nfs/dbraw/zinc/20/32/41/189203241.db2.gz RJENZGWCVIUDOI-UHFFFAOYSA-N 0 1 280.328 2.408 20 5 CEBDMN Cc1ccc(CN2CCC(C)(O)CC2)cc1[N+](=O)[O-] ZINC000179723527 189216402 /nfs/dbraw/zinc/21/64/02/189216402.db2.gz KPCLFCSBHNLPNE-UHFFFAOYSA-N 0 1 264.325 2.250 20 5 CEBDMN O=[N+]([O-])c1ccc([O-])cc1C[N@H+]1CCC[C@H]1[C@H]1CCCO1 ZINC000339168072 366686777 /nfs/dbraw/zinc/68/67/77/366686777.db2.gz KCAYCTFSHNGIGY-LSDHHAIUSA-N 0 1 292.335 2.444 20 5 CEBDMN O=[N+]([O-])c1ccc([O-])cc1C[N@@H+]1CCC[C@]12CCOC2 ZINC000339173585 366690305 /nfs/dbraw/zinc/69/03/05/366690305.db2.gz SKABDRPSQOMOHE-CQSZACIVSA-N 0 1 278.308 2.055 20 5 CEBDMN O=[N+]([O-])c1ccc([O-])cc1C[N@H+]1CCC[C@]12CCOC2 ZINC000339173585 366690307 /nfs/dbraw/zinc/69/03/07/366690307.db2.gz SKABDRPSQOMOHE-CQSZACIVSA-N 0 1 278.308 2.055 20 5 CEBDMN O=[N+]([O-])c1ccc(CNCC2=CCCOC2)c(F)c1 ZINC000342292356 216295584 /nfs/dbraw/zinc/29/55/84/216295584.db2.gz ZETRXEITEHLATM-UHFFFAOYSA-N 0 1 266.272 2.170 20 5 CEBDMN COc1cc(CN2C[C@@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000339571491 366706935 /nfs/dbraw/zinc/70/69/35/366706935.db2.gz KHOXMVSEXOUDAQ-NXEZZACHSA-N 0 1 250.298 2.444 20 5 CEBDMN C[C@H](NCCn1ccc([N+](=O)[O-])n1)c1ccc(F)cc1F ZINC000181575603 189301997 /nfs/dbraw/zinc/30/19/97/189301997.db2.gz XQPFGIJRKDRRJP-VIFPVBQESA-N 0 1 296.277 2.420 20 5 CEBDMN Cc1cc([N+](=O)[O-])ccc1CN(C)CCn1cccn1 ZINC000183341934 189355342 /nfs/dbraw/zinc/35/53/42/189355342.db2.gz LBRWQKHBOQILGL-UHFFFAOYSA-N 0 1 274.324 2.232 20 5 CEBDMN O=C(NCC1CCC1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000026145094 361636199 /nfs/dbraw/zinc/63/61/99/361636199.db2.gz KOHNGPCBLXFEKF-UHFFFAOYSA-N 0 1 274.280 2.001 20 5 CEBDMN COCCN1CCC[C@H]1CNc1sccc1[N+](=O)[O-] ZINC000301974115 201282524 /nfs/dbraw/zinc/28/25/24/201282524.db2.gz AOCAXWFYVZFPAY-JTQLQIEISA-N 0 1 285.369 2.179 20 5 CEBDMN CCN(C)C(=O)[C@@H](C)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000188478720 189504039 /nfs/dbraw/zinc/50/40/39/189504039.db2.gz VPIWQBJTTPBFHC-WDEREUQCSA-N 0 1 279.340 2.112 20 5 CEBDMN CCCc1[nH]nc(C(=O)N(C)C[C@H](C)CC)c1[N+](=O)[O-] ZINC000111628949 364747597 /nfs/dbraw/zinc/74/75/97/364747597.db2.gz KGWUMKWWNPORLJ-SECBINFHSA-N 0 1 282.344 2.389 20 5 CEBDMN C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2F)CCN(C2CC2)C1 ZINC000582772229 366956018 /nfs/dbraw/zinc/95/60/18/366956018.db2.gz VSWNCADSJZYCIR-JTQLQIEISA-N 0 1 294.330 2.049 20 5 CEBDMN CCCN(CC1CC1)C(=O)c1n[nH]c(CC)c1[N+](=O)[O-] ZINC000171367731 367528279 /nfs/dbraw/zinc/52/82/79/367528279.db2.gz VZRPJZCSPLCISB-UHFFFAOYSA-N 0 1 280.328 2.143 20 5 CEBDMN Cc1[nH]ncc1CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000342798590 367543753 /nfs/dbraw/zinc/54/37/53/367543753.db2.gz VWDKENQETVKWRI-UHFFFAOYSA-N 0 1 299.290 2.038 20 5 CEBDMN CCN1CCN(c2cc(C)ccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000343271771 367736952 /nfs/dbraw/zinc/73/69/52/367736952.db2.gz CIPDHILSMWKEHD-LBPRGKRZSA-N 0 1 263.341 2.434 20 5 CEBDMN CCN(C)C(=O)[C@H](C)N[C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000189410070 369512111 /nfs/dbraw/zinc/51/21/11/369512111.db2.gz NCCIAVGUKCGMDT-RYUDHWBXSA-N 0 1 293.367 2.421 20 5 CEBDMN CC[C@@]1(CO)CCCN1Cc1c(F)cccc1[N+](=O)[O-] ZINC000189612674 369547747 /nfs/dbraw/zinc/54/77/47/369547747.db2.gz JHKLIPRLLDLJRR-AWEZNQCLSA-N 0 1 282.315 2.471 20 5 CEBDMN CCn1cc([N+](=O)[O-])c(C(=O)Nc2c(F)cccc2F)n1 ZINC000191452799 369715538 /nfs/dbraw/zinc/71/55/38/369715538.db2.gz OQVAZSVYNBGZHM-UHFFFAOYSA-N 0 1 296.233 2.342 20 5 CEBDMN CCO[C@H]1COCC[C@@H]1NCc1ccc([N+](=O)[O-])cc1F ZINC000353163696 370047317 /nfs/dbraw/zinc/04/73/17/370047317.db2.gz CRMPGMMLNJRUGW-KBPBESRZSA-N 0 1 298.314 2.018 20 5 CEBDMN CC[C@H]1CCCN(Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000331639211 204035915 /nfs/dbraw/zinc/03/59/15/204035915.db2.gz MQYRERGHFJNSRM-NSHDSACASA-N 0 1 266.345 2.340 20 5 CEBDMN C[C@@H]1CN(CCCOc2ccc([N+](=O)[O-])cc2)[C@@H](C)CO1 ZINC000249744097 371358484 /nfs/dbraw/zinc/35/84/84/371358484.db2.gz BCZRPONZAYWBND-QWHCGFSZSA-N 0 1 294.351 2.473 20 5 CEBDMN CCc1nc([C@H](C)Nc2nc(C)cc(C)c2[N+](=O)[O-])n[nH]1 ZINC000359089949 371333104 /nfs/dbraw/zinc/33/31/04/371333104.db2.gz CGJABUZUVMSLEM-VIFPVBQESA-N 0 1 290.327 2.460 20 5 CEBDMN NC1(c2noc(/C=C/c3ccccc3[N+](=O)[O-])n2)CCC1 ZINC000261820346 371742514 /nfs/dbraw/zinc/74/25/14/371742514.db2.gz QLENKLKULCUUML-VOTSOKGWSA-N 0 1 286.291 2.486 20 5 CEBDMN C[C@@H]1C[C@@H](CO)CCN1Cc1ccccc1[N+](=O)[O-] ZINC000344116049 217056451 /nfs/dbraw/zinc/05/64/51/217056451.db2.gz AUORZXBMOURGBW-NEPJUHHUSA-N 0 1 264.325 2.188 20 5 CEBDMN COCc1cc([N+](=O)[O-])ccc1N1CCN(C2CC2)CC1 ZINC000265987526 372032483 /nfs/dbraw/zinc/03/24/83/372032483.db2.gz HLSJXVYLLJBPQN-UHFFFAOYSA-N 0 1 291.351 2.026 20 5 CEBDMN O=C(N[C@H]1CCCc2cn[nH]c21)c1ccc([N+](=O)[O-])s1 ZINC000269034714 372319350 /nfs/dbraw/zinc/31/93/50/372319350.db2.gz XKIVKJWLBZAZEC-QMMMGPOBSA-N 0 1 292.320 2.187 20 5 CEBDMN CCCc1[nH]nc(C(=O)N2CC=C(C)CC2)c1[N+](=O)[O-] ZINC000270028688 372641362 /nfs/dbraw/zinc/64/13/62/372641362.db2.gz AREJRAOSHFTEOT-UHFFFAOYSA-N 0 1 278.312 2.063 20 5 CEBDMN CC(C)c1nc([C@H](C)Nc2ccc([N+](=O)[O-])cn2)n[nH]1 ZINC000270732995 372925384 /nfs/dbraw/zinc/92/53/84/372925384.db2.gz RNIFEKJAYPIKBN-QMMMGPOBSA-N 0 1 276.300 2.404 20 5 CEBDMN CCc1[nH]nc(C(=O)N2CCCC3(CCC3)C2)c1[N+](=O)[O-] ZINC000366261634 373018499 /nfs/dbraw/zinc/01/84/99/373018499.db2.gz ZUPFPNIZNFTPJB-UHFFFAOYSA-N 0 1 292.339 2.287 20 5 CEBDMN O=[N+]([O-])c1ccccc1C[N@H+]1CCC[C@H]2OCC[C@H]21 ZINC000369786736 373509718 /nfs/dbraw/zinc/50/97/18/373509718.db2.gz JEPRTOTZZRRJGS-ZIAGYGMSSA-N 0 1 262.309 2.348 20 5 CEBDMN O=[N+]([O-])c1ccccc1CN1CCC[C@H]2OCC[C@H]21 ZINC000369786736 373509723 /nfs/dbraw/zinc/50/97/23/373509723.db2.gz JEPRTOTZZRRJGS-ZIAGYGMSSA-N 0 1 262.309 2.348 20 5 CEBDMN C[C@@H]1CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C[C@@H]1C ZINC000272630607 373591667 /nfs/dbraw/zinc/59/16/67/373591667.db2.gz BBLMZNFETWMEAB-ZJUUUORDSA-N 0 1 278.308 2.419 20 5 CEBDMN CC[C@@H](C)c1nc([C@@H](C)Nc2ncc([N+](=O)[O-])cn2)n[nH]1 ZINC000276761814 374292038 /nfs/dbraw/zinc/29/20/38/374292038.db2.gz AHLQBJQHMOVQHE-HTQZYQBOSA-N 0 1 291.315 2.190 20 5 CEBDMN C[C@]1(Cc2ccccc2)CCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000373344752 374332164 /nfs/dbraw/zinc/33/21/64/374332164.db2.gz CBGHIUPCLHXHLD-IIAWOOMASA-N 0 1 288.347 2.275 20 5 CEBDMN C[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000278171132 374740920 /nfs/dbraw/zinc/74/09/20/374740920.db2.gz FUUAYYDISSGDAF-SECBINFHSA-N 0 1 265.269 2.345 20 5 CEBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@@H](Cc2ccccc2)C1 ZINC000377559287 374884518 /nfs/dbraw/zinc/88/45/18/374884518.db2.gz NBSJDJXIDZXFGD-RRFJBIMHSA-N 0 1 288.347 2.133 20 5 CEBDMN Cc1cc(C)c([N+](=O)[O-])c(N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)n1 ZINC000408172155 375422766 /nfs/dbraw/zinc/42/27/66/375422766.db2.gz SJYYCRSIZQEYSQ-QWHCGFSZSA-N 0 1 290.367 2.280 20 5 CEBDMN CC(=O)c1ccc(N[C@@H](C)c2n[nH]c(C)n2)c([N+](=O)[O-])c1 ZINC000286386248 375935909 /nfs/dbraw/zinc/93/59/09/375935909.db2.gz MJCRDMMYWWPZED-ZETCQYMHSA-N 0 1 289.295 2.397 20 5 CEBDMN COc1cc(CN2CCCC[C@@H]2CCO)ccc1[N+](=O)[O-] ZINC000305814356 376501392 /nfs/dbraw/zinc/50/13/92/376501392.db2.gz JJKNOSXQESNRNB-CYBMUJFWSA-N 0 1 294.351 2.340 20 5 CEBDMN Cc1c[nH]nc1C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000290020751 376604465 /nfs/dbraw/zinc/60/44/65/376604465.db2.gz VDLHXFRIBLHILW-JTQLQIEISA-N 0 1 260.297 2.477 20 5 CEBDMN C[C@@H](NCCOc1ccc([N+](=O)[O-])cc1)c1ccncn1 ZINC000562779204 376999154 /nfs/dbraw/zinc/99/91/54/376999154.db2.gz VUJSYBIVOAPFOC-LLVKDONJSA-N 0 1 288.307 2.114 20 5 CEBDMN CC(C)c1ccc(CN[C@@H]2CC(=O)N(C)C2)cc1[N+](=O)[O-] ZINC000330434273 377130544 /nfs/dbraw/zinc/13/05/44/377130544.db2.gz PRAOWLUSTDOQCK-GFCCVEGCSA-N 0 1 291.351 2.039 20 5 CEBDMN Cc1c(CN2CCSC[C@@H]2CCO)cccc1[N+](=O)[O-] ZINC000330955331 377212867 /nfs/dbraw/zinc/21/28/67/377212867.db2.gz GZNJWJZIRCZJEQ-ZDUSSCGKSA-N 0 1 296.392 2.203 20 5 CEBDMN CC(C)[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2)CCN1C ZINC000331129395 377293400 /nfs/dbraw/zinc/29/34/00/377293400.db2.gz IVCMFJDNCVODCN-CQSZACIVSA-N 0 1 291.351 2.007 20 5 CEBDMN CCC[C@H](N[C@@H]1COC[C@H]1OC)c1cccc([N+](=O)[O-])c1 ZINC000574399476 299492147 /nfs/dbraw/zinc/49/21/47/299492147.db2.gz ACSVQZHPQDTGHL-RRFJBIMHSA-N 0 1 294.351 2.439 20 5 CEBDMN COC[C@@H]1CCN1Cc1ccc([N+](=O)[O-])cc1C ZINC000293548714 377622940 /nfs/dbraw/zinc/62/29/40/377622940.db2.gz DSLIPJFNJZEMQS-ZDUSSCGKSA-N 0 1 250.298 2.124 20 5 CEBDMN CCc1[nH]nc(C(=O)N(C2CCC2)C2CCC2)c1[N+](=O)[O-] ZINC000293590253 377646444 /nfs/dbraw/zinc/64/64/44/377646444.db2.gz BASDRIHQEKZPML-UHFFFAOYSA-N 0 1 292.339 2.428 20 5 CEBDMN CC[C@@H](C)CONC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000293800538 377763958 /nfs/dbraw/zinc/76/39/58/377763958.db2.gz SVLLZUWIJSVLCP-MRVPVSSYSA-N 0 1 268.269 2.008 20 5 CEBDMN CC[C@H](C)[C@@H](CNC(=O)c1cc(O)cc([N+](=O)[O-])c1)OC ZINC000295324566 378106902 /nfs/dbraw/zinc/10/69/02/378106902.db2.gz BDOVQRPHRRXATN-TVQRCGJNSA-N 0 1 296.323 2.091 20 5 CEBDMN CC(C)c1[nH]nc(C(=O)N2CCC(CF)CC2)c1[N+](=O)[O-] ZINC000295882889 378342860 /nfs/dbraw/zinc/34/28/60/378342860.db2.gz YNJMRFKULWOUSA-UHFFFAOYSA-N 0 1 298.318 2.263 20 5 CEBDMN Cc1cc(C[C@@H](C)Nc2ccc([N+](=O)[O-])nc2)[nH]n1 ZINC000450391423 378389876 /nfs/dbraw/zinc/38/98/76/378389876.db2.gz LWXJRJRMWRUONV-MRVPVSSYSA-N 0 1 261.285 2.064 20 5 CEBDMN CC[C@H]1CN(CC)CCN1c1c([N+](=O)[O-])nc(C)n1CC ZINC000450832121 378601768 /nfs/dbraw/zinc/60/17/68/378601768.db2.gz QMGBTHUNXZMSLO-LBPRGKRZSA-N 0 1 295.387 2.040 20 5 CEBDMN COC[C@@]1(C)CCN(Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000296650302 378604926 /nfs/dbraw/zinc/60/49/26/378604926.db2.gz IXMSCTZTAPBTKP-HNNXBMFYSA-N 0 1 294.351 2.462 20 5 CEBDMN Cc1[nH]nc(C(=O)N2CCC[C@H]3CCC[C@H]32)c1[N+](=O)[O-] ZINC000266260838 190243893 /nfs/dbraw/zinc/24/38/93/190243893.db2.gz VAAKVHJLFSNFGE-NXEZZACHSA-N 0 1 278.312 2.031 20 5 CEBDMN O=[N+]([O-])c1ccc(N2CCC(c3nc[nH]n3)CC2)cc1 ZINC000301594486 379290779 /nfs/dbraw/zinc/29/07/79/379290779.db2.gz VELXHYJAMHTNAG-UHFFFAOYSA-N 0 1 273.296 2.097 20 5 CEBDMN O=[N+]([O-])c1ccc(CN2CCN(C3CCC3)CC2)c(F)c1 ZINC000267004050 190296067 /nfs/dbraw/zinc/29/60/67/190296067.db2.gz FAOIENMDVQYKCO-UHFFFAOYSA-N 0 1 293.342 2.404 20 5 CEBDMN CCC[C@H]1CCCN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])C1 ZINC000268225530 190388284 /nfs/dbraw/zinc/38/82/84/190388284.db2.gz RHGNHEYZKJHNIP-JTQLQIEISA-N 0 1 280.328 2.279 20 5 CEBDMN Cn1cnc([N+](=O)[O-])c1CN1CC[C@H](C2CCCC2)C1 ZINC000420957890 394454544 /nfs/dbraw/zinc/45/45/44/394454544.db2.gz BFQLTXXGOSJPJF-LBPRGKRZSA-N 0 1 278.356 2.340 20 5 CEBDMN CCOc1cc(CN2C[C@@H](O)CC[C@H]2C)ccc1[N+](=O)[O-] ZINC000421022935 394467991 /nfs/dbraw/zinc/46/79/91/394467991.db2.gz PJXGWHQLPKFLIZ-YPMHNXCESA-N 0 1 294.351 2.339 20 5 CEBDMN Cc1c(C[N@@H+]2CCC[C@@H]([C@H](C)O)C2)cccc1[N+](=O)[O-] ZINC000305180760 394498651 /nfs/dbraw/zinc/49/86/51/394498651.db2.gz NOAXQSQZZGDTFA-GXTWGEPZSA-N 0 1 278.352 2.496 20 5 CEBDMN CCOc1cc(NCCc2n[nH]c(C)n2)ccc1[N+](=O)[O-] ZINC000356853819 394631354 /nfs/dbraw/zinc/63/13/54/394631354.db2.gz ILIFDHIOINFBED-UHFFFAOYSA-N 0 1 291.311 2.075 20 5 CEBDMN CCOc1cc(NCCc2nnc(C)[nH]2)ccc1[N+](=O)[O-] ZINC000356853819 394631355 /nfs/dbraw/zinc/63/13/55/394631355.db2.gz ILIFDHIOINFBED-UHFFFAOYSA-N 0 1 291.311 2.075 20 5 CEBDMN CCCN1CCN(c2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000269343162 394717317 /nfs/dbraw/zinc/71/73/17/394717317.db2.gz COHNOEHIGYSGII-UHFFFAOYSA-N 0 1 284.747 2.175 20 5 CEBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCNC(C)(C)C1 ZINC000415507700 394938970 /nfs/dbraw/zinc/93/89/70/394938970.db2.gz TVUHJQOIVCWKMP-UHFFFAOYSA-N 0 1 292.339 2.119 20 5 CEBDMN Cn1cncc1CN[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000289623470 395081950 /nfs/dbraw/zinc/08/19/50/395081950.db2.gz DTPZYQKRXVLKMP-HNNXBMFYSA-N 0 1 286.335 2.496 20 5 CEBDMN COc1cc([N+](=O)[O-])ccc1CN1[C@H](C)CCC[C@H]1CO ZINC000430212875 395163937 /nfs/dbraw/zinc/16/39/37/395163937.db2.gz QUXHSXNZTLORFZ-RISCZKNCSA-N 0 1 294.351 2.339 20 5 CEBDMN O=[N+]([O-])c1cnn(CCN2CC[C@H]2Cc2ccccc2)c1 ZINC000437832352 395198823 /nfs/dbraw/zinc/19/88/23/395198823.db2.gz GIDRVNZEZNXMFY-AWEZNQCLSA-N 0 1 286.335 2.108 20 5 CEBDMN CO[C@@H]1CN([C@H](C)c2ccccc2[N+](=O)[O-])C[C@H]1OC ZINC000331107401 285773499 /nfs/dbraw/zinc/77/34/99/285773499.db2.gz JKDJISQZIWNGIL-LERXQTSPSA-N 0 1 280.324 2.001 20 5 CEBDMN C[C@H]1CC[C@@H]([N@@H+](CCO)Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000330449559 300039082 /nfs/dbraw/zinc/03/90/82/300039082.db2.gz JDVOBLDYRHYAFV-WCQYABFASA-N 0 1 294.351 2.283 20 5 CEBDMN C[C@H](Nc1ccc(F)cc1[N+](=O)[O-])c1nnc[nH]1 ZINC000219646190 153304088 /nfs/dbraw/zinc/30/40/88/153304088.db2.gz HHKGAQZOADLIRP-LURJTMIESA-N 0 1 251.221 2.025 20 5 CEBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC(O)CC1 ZINC000272342971 292295833 /nfs/dbraw/zinc/29/58/33/292295833.db2.gz PDBIIOGUTSCDQV-NSHDSACASA-N 0 1 264.325 2.421 20 5 CEBDMN CN(Cc1nc2cc([N+](=O)[O-])ccc2o1)[C@H]1CCC[C@H]1O ZINC000352663877 154327415 /nfs/dbraw/zinc/32/74/15/154327415.db2.gz AFWZWJKPHHVVKI-NWDGAFQWSA-N 0 1 291.307 2.081 20 5 CEBDMN O=[N+]([O-])c1ccc(N[C@@H]2CCc3[nH]cnc3C2)cc1 ZINC000367908334 156254961 /nfs/dbraw/zinc/25/49/61/156254961.db2.gz ZNQGHAHRXZXVMV-SNVBAGLBSA-N 0 1 258.281 2.287 20 5 CEBDMN O=[N+]([O-])c1ccc(OC(F)F)c(CNC2CC2)c1 ZINC000035414806 172189088 /nfs/dbraw/zinc/18/90/88/172189088.db2.gz SBHDBSZJQQOMFH-UHFFFAOYSA-N 0 1 258.224 2.448 20 5 CEBDMN C[C@H]1COCC[C@@H]1NCc1c(F)cc([N+](=O)[O-])cc1F ZINC000285446471 196286574 /nfs/dbraw/zinc/28/65/74/196286574.db2.gz XSMXNFPALRWHQB-SDBXPKJASA-N 0 1 286.278 2.388 20 5 CEBDMN O=C([O-])C[C@H]1CCCC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000038027530 174013815 /nfs/dbraw/zinc/01/38/15/174013815.db2.gz IKMZQFIJTRTKQZ-GFCCVEGCSA-N 0 1 278.308 2.424 20 5 CEBDMN CCN(Cc1cc(F)ccc1[N+](=O)[O-])CC(C)(C)O ZINC000078748205 177381704 /nfs/dbraw/zinc/38/17/04/177381704.db2.gz GUSDSWNZUCPCSR-UHFFFAOYSA-N 0 1 270.304 2.327 20 5 CEBDMN CCN(CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000192830162 270280669 /nfs/dbraw/zinc/28/06/69/270280669.db2.gz PGCDYZXUBLUTPH-UHFFFAOYSA-N 0 1 277.324 2.042 20 5 CEBDMN CC[C@H](C)[N@@H+](CC(=O)[O-])Cc1c(F)cccc1[N+](=O)[O-] ZINC000236962958 270318378 /nfs/dbraw/zinc/31/83/78/270318378.db2.gz OACQXJOPWRQLBI-VIFPVBQESA-N 0 1 284.287 2.419 20 5 CEBDMN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)[C@H]1CC12CC2 ZINC000422128320 270712135 /nfs/dbraw/zinc/71/21/35/270712135.db2.gz ZKFLRRSUMAHSCH-SNVBAGLBSA-N 0 1 299.290 2.119 20 5 CEBDMN COCCN(Cc1ccc(C)c([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000426496861 271220801 /nfs/dbraw/zinc/22/08/01/271220801.db2.gz KHOILSIQHBZYSH-AWEZNQCLSA-N 0 1 294.351 2.141 20 5 CEBDMN Cc1cnc(C(=O)Nc2cccc([N+](=O)[O-])c2)c(O)c1 ZINC000426573771 271225129 /nfs/dbraw/zinc/22/51/29/271225129.db2.gz PVPHOGSKPWCQIS-UHFFFAOYSA-N 0 1 273.248 2.256 20 5 CEBDMN O=[N+]([O-])c1ccc(CN[C@@H](CO)CC(F)F)c(Cl)c1 ZINC000428644234 271284328 /nfs/dbraw/zinc/28/43/28/271284328.db2.gz UNALYCXQDVDDPQ-MRVPVSSYSA-N 0 1 294.685 2.354 20 5 CEBDMN COCCN1CCN(c2cc(C)ccc2[N+](=O)[O-])C[C@H]1C ZINC000268038989 274030107 /nfs/dbraw/zinc/03/01/07/274030107.db2.gz NFOXZOMJMHHAJF-CYBMUJFWSA-N 0 1 293.367 2.060 20 5 CEBDMN CN(C)[C@H](CNc1cc(N)ccc1[N+](=O)[O-])c1ccco1 ZINC000192764079 276866887 /nfs/dbraw/zinc/86/68/87/276866887.db2.gz RYDCBBSRWRJMTQ-CYBMUJFWSA-N 0 1 290.323 2.485 20 5 CEBDMN CC(C)c1[nH]nc(C(=O)N2CC[C@H]3CCC[C@H]32)c1[N+](=O)[O-] ZINC000408376711 278001112 /nfs/dbraw/zinc/00/11/12/278001112.db2.gz NZMMBNVXHPZESX-NXEZZACHSA-N 0 1 292.339 2.456 20 5 CEBDMN Cc1cc(C)c([N+](=O)[O-])c(Nc2cc3n(n2)CCCC3)n1 ZINC000343925056 278665523 /nfs/dbraw/zinc/66/55/23/278665523.db2.gz ABUALGARTICBCX-UHFFFAOYSA-N 0 1 287.323 2.305 20 5 CEBDMN Cc1ccc([C@H](C)NC(=O)c2n[nH]cc2[N+](=O)[O-])cc1 ZINC000135106779 280037507 /nfs/dbraw/zinc/03/75/07/280037507.db2.gz KDFACHKTZFDKJG-VIFPVBQESA-N 0 1 274.280 2.117 20 5 CEBDMN CC[C@@H](C)N(CC(=O)OC)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339153694 280102649 /nfs/dbraw/zinc/10/26/49/280102649.db2.gz JEANOEXQEYDIRI-SNVBAGLBSA-N 0 1 296.323 2.074 20 5 CEBDMN C[C@@H]1CCC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])[C@@H]1C(=O)[O-] ZINC000424265563 281140768 /nfs/dbraw/zinc/14/07/68/281140768.db2.gz JXYBSSXLJAAFIX-RNCFNFMXSA-N 0 1 296.298 2.419 20 5 CEBDMN CCc1nocc1CN(C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339608599 281575134 /nfs/dbraw/zinc/57/51/34/281575134.db2.gz LCGBWURRZMBKAX-UHFFFAOYSA-N 0 1 291.307 2.483 20 5 CEBDMN Cc1n[nH]c(C)c1CNCc1ccc([N+](=O)[O-])cc1 ZINC000037668386 281769350 /nfs/dbraw/zinc/76/93/50/281769350.db2.gz LOSDEXYBXZZWIZ-UHFFFAOYSA-N 0 1 260.297 2.225 20 5 CEBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCC(=O)NC(C)C ZINC000160950901 297440084 /nfs/dbraw/zinc/44/00/84/297440084.db2.gz XDJNYLDNRYELDJ-NSHDSACASA-N 0 1 279.340 2.078 20 5 CEBDMN Cc1[nH]nc2cc(NC(=O)c3ccc([N+](=O)[O-])cn3)ccc12 ZINC000537704174 298217716 /nfs/dbraw/zinc/21/77/16/298217716.db2.gz AXWXGPAXQWYSMI-UHFFFAOYSA-N 0 1 297.274 2.427 20 5 CEBDMN Cc1[nH]nc2cc(NC(=O)c3cc([N+](=O)[O-])cn3C)ccc12 ZINC000539907904 298259693 /nfs/dbraw/zinc/25/96/93/298259693.db2.gz MNLQKQXPNFUEGU-UHFFFAOYSA-N 0 1 299.290 2.370 20 5 CEBDMN C[C@@H](C(=O)[O-])[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CCC1 ZINC000567369107 299058735 /nfs/dbraw/zinc/05/87/35/299058735.db2.gz QVYPLEJARUXWSM-JTQLQIEISA-N 0 1 278.308 2.422 20 5 CEBDMN COc1cc(CNc2ccc(F)cn2)cc([N+](=O)[O-])c1O ZINC000181576642 312791499 /nfs/dbraw/zinc/79/14/99/312791499.db2.gz QNYJXAIXQJDCBX-UHFFFAOYSA-N 0 1 293.254 2.455 20 5 CEBDMN O=[N+]([O-])c1cccc(CN2CC[C@@H](O)CC23CCC3)c1 ZINC000571192862 314077379 /nfs/dbraw/zinc/07/73/79/314077379.db2.gz UQJXHIFEWLOYOX-CQSZACIVSA-N 0 1 276.336 2.474 20 5 CEBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCc1cncn1C ZINC000573528660 314164129 /nfs/dbraw/zinc/16/41/29/314164129.db2.gz KKKYFLRKZXCNRT-NSHDSACASA-N 0 1 274.324 2.488 20 5 CEBDMN C[C@@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C[C@@]1(C)C(=O)[O-] ZINC000576950081 314326589 /nfs/dbraw/zinc/32/65/89/314326589.db2.gz CEYHBTHQJYJYHP-QMTHXVAHSA-N 0 1 278.308 2.137 20 5 CEBDMN Cc1nc(Nc2cnn(C(C)C)c2)ncc1[N+](=O)[O-] ZINC000580522055 322322767 /nfs/dbraw/zinc/32/27/67/322322767.db2.gz AAZQJSGTQXZTGT-UHFFFAOYSA-N 0 1 262.273 2.214 20 5 CEBDMN CCOc1ccc([N+](=O)[O-])cc1CN[C@H]1CO[C@@H](C)C1 ZINC000582002562 322438536 /nfs/dbraw/zinc/43/85/36/322438536.db2.gz SHWFSNVGJBFIAE-CMPLNLGQSA-N 0 1 280.324 2.261 20 5 CEBDMN CCO[C@@H]1C[C@@H]1N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000584509480 329504898 /nfs/dbraw/zinc/50/48/98/329504898.db2.gz TZPQHFMSCWANAU-JIMOISOXSA-N 0 1 250.298 2.423 20 5 CEBDMN CC(C)C[N@@H+](CC(=O)[O-])Cc1cccc([N+](=O)[O-])c1 ZINC000062743219 519711909 /nfs/dbraw/zinc/71/19/09/519711909.db2.gz LYKKQXVRPSYEPK-UHFFFAOYSA-N 0 1 266.297 2.137 20 5 CEBDMN CC1(c2ccccc2)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000372198855 520786078 /nfs/dbraw/zinc/78/60/78/520786078.db2.gz AMBRHGHYHTVRII-KGLIPLIRSA-N 0 1 288.347 2.232 20 5 CEBDMN Cc1c(CN2CCCOCC2)cccc1[N+](=O)[O-] ZINC000363378377 525705935 /nfs/dbraw/zinc/70/59/35/525705935.db2.gz VWQGIPVBZMKHTP-UHFFFAOYSA-N 0 1 250.298 2.126 20 5 CEBDMN CC1(C)[C@H](OC(=O)c2ccc([N+](=O)[O-])[nH]2)[C@@H]2CCCO[C@H]21 ZINC000744183042 575116122 /nfs/dbraw/zinc/11/61/22/575116122.db2.gz JBFYQJHKLIGSOI-GGZOMVNGSA-N 0 1 294.307 2.283 20 5 CEBDMN CC(=CC(=O)NCc1cnc[nH]1)c1ccc([N+](=O)[O-])cc1 ZINC000752422640 575309856 /nfs/dbraw/zinc/30/98/56/575309856.db2.gz BYVUJHGOKLNEKJ-POHAHGRESA-N 0 1 286.291 2.038 20 5 CEBDMN CC[N@H+]1C[C@H](C)[C@H](Nc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC000833658548 605192003 /nfs/dbraw/zinc/19/20/03/605192003.db2.gz SVWBESJVBOETNP-JOYOIKCWSA-N 0 1 293.323 2.045 20 5 CEBDMN COc1c(O)ccc(CN2C3CCC2CC3)c1[N+](=O)[O-] ZINC000891555996 623782922 /nfs/dbraw/zinc/78/29/22/623782922.db2.gz SUSHPDZYYFNKLO-UHFFFAOYSA-N 0 1 278.308 2.436 20 5 CEBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CC[C@@H]1CO ZINC000934015696 624165551 /nfs/dbraw/zinc/16/55/51/624165551.db2.gz GFMNWTKIJLEKQX-ZYHUDNBSSA-N 0 1 250.298 2.031 20 5 CEBDMN C[C@H]1CN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])C[C@H](C)N1 ZINC000070076498 625020542 /nfs/dbraw/zinc/02/05/42/625020542.db2.gz DRHOTAXUASTTSD-IUCAKERBSA-N 0 1 297.742 2.071 20 5 CEBDMN O=[N+]([O-])c1ccccc1CCNCc1nccn1C1CC1 ZINC000893070852 627977737 /nfs/dbraw/zinc/97/77/37/627977737.db2.gz YBXUDEBNQLWKLZ-UHFFFAOYSA-N 0 1 286.335 2.459 20 5 CEBDMN CO[C@H](C)CN(C)Cn1nc(C)c2cc([N+](=O)[O-])ccc21 ZINC000795749282 629665225 /nfs/dbraw/zinc/66/52/25/629665225.db2.gz GIJFFDNAAUBKGR-SNVBAGLBSA-N 0 1 292.339 2.177 20 5 CEBDMN O=C(O[C@@H](c1ccccc1)C(F)F)[C@@H]1CC1[N+](=O)[O-] ZINC000841242525 629871808 /nfs/dbraw/zinc/87/18/08/629871808.db2.gz XOOLXASLMXIKMH-BBBLOLIVSA-N 0 1 271.219 2.201 20 5 CEBDMN O=C(O[C@@H]1CCC12CCC2)c1ccc([N+](=O)[O-])[nH]1 ZINC000821819703 634796544 /nfs/dbraw/zinc/79/65/44/634796544.db2.gz IFDDQHCZECBHPQ-SECBINFHSA-N 0 1 250.254 2.412 20 5 CEBDMN CC(=O)c1cc([N+](=O)[O-])ccc1N[C@@H]1CC[N@@H+](C)[C@H]1C ZINC000895735304 630325864 /nfs/dbraw/zinc/32/58/64/630325864.db2.gz CXQPFYHDQXAODS-TVQRCGJNSA-N 0 1 277.324 2.302 20 5 CEBDMN CC(=O)c1cc([N+](=O)[O-])ccc1N[C@@H]1CCN(C)[C@H]1C ZINC000895735304 630325865 /nfs/dbraw/zinc/32/58/65/630325865.db2.gz CXQPFYHDQXAODS-TVQRCGJNSA-N 0 1 277.324 2.302 20 5 CEBDMN CC(C)Oc1nc(N[C@@H]2CC[N@@H+](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000895736535 630326745 /nfs/dbraw/zinc/32/67/45/630326745.db2.gz KLNSZKIOUBXIJX-GHMZBOCLSA-N 0 1 294.355 2.282 20 5 CEBDMN CC(=O)c1ccc([N+](=O)[O-])cc1N[C@@H]1CCN(C)[C@H]1C ZINC000895738752 630328129 /nfs/dbraw/zinc/32/81/29/630328129.db2.gz ZIQBEZOMFUAFLT-TVQRCGJNSA-N 0 1 277.324 2.302 20 5 CEBDMN O=[N+]([O-])c1sccc1NC[C@H]1CCN1C1CCOCC1 ZINC000896517755 630587307 /nfs/dbraw/zinc/58/73/07/630587307.db2.gz JCUHFTMTQPKMGH-LLVKDONJSA-N 0 1 297.380 2.322 20 5 CEBDMN CC(C)C[C@@H]1CN(C)CCN1c1ccc([N+](=O)[O-])cn1 ZINC000896650939 630625067 /nfs/dbraw/zinc/62/50/67/630625067.db2.gz NRAAOJGPMAIAAD-CYBMUJFWSA-N 0 1 278.356 2.156 20 5 CEBDMN CO[C@@H](C)CN[C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872064945 631245488 /nfs/dbraw/zinc/24/54/88/631245488.db2.gz PQUHAOUSZBZSSM-DTWKUNHWSA-N 0 1 256.277 2.419 20 5 CEBDMN CS[C@H]1CCN(Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000840117748 631873260 /nfs/dbraw/zinc/87/32/60/631873260.db2.gz WEOHXCZUBSQTSZ-LBPRGKRZSA-N 0 1 292.364 2.339 20 5 CEBDMN Cc1nc([C@@H](C)OC(=O)c2cc([N+](=O)[O-])ccc2F)n[nH]1 ZINC000840207216 632267295 /nfs/dbraw/zinc/26/72/95/632267295.db2.gz CXXZVTKVHCFTEU-ZCFIWIBFSA-N 0 1 294.242 2.078 20 5 CEBDMN Cc1nc([C@H](C)OC(=O)c2ccc([N+](=O)[O-])cc2C)n[nH]1 ZINC000840222289 632332867 /nfs/dbraw/zinc/33/28/67/632332867.db2.gz YTNZXMFYNHQFBR-QMMMGPOBSA-N 0 1 290.279 2.248 20 5 CEBDMN C[C@H](c1ccccc1)N(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CC1 ZINC000840295023 632730350 /nfs/dbraw/zinc/73/03/50/632730350.db2.gz UOHSRMNVPCGMMI-LERXQTSPSA-N 0 1 274.320 2.404 20 5 CEBDMN CC[C@H](C)N(Cc1ccccc1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840324383 632873642 /nfs/dbraw/zinc/87/36/42/632873642.db2.gz ZKXMIEKCRPMIFA-IACUBPJLSA-N 0 1 276.336 2.479 20 5 CEBDMN O=C(OCc1cc(O)ccc1[N+](=O)[O-])[C@H]1CC12CC2 ZINC000817233144 633601944 /nfs/dbraw/zinc/60/19/44/633601944.db2.gz RPNSPIPQDSEXOL-SNVBAGLBSA-N 0 1 263.249 2.144 20 5 CEBDMN CCCCN(C(=O)[C@@H]1CC1[N+](=O)[O-])[C@@H]1CCCC[C@H]1OC ZINC000840470602 634904219 /nfs/dbraw/zinc/90/42/19/634904219.db2.gz OYEDHQIXMBWJFP-AAVRWANBSA-N 0 1 298.383 2.238 20 5 CEBDMN COc1cc([C@H](C)NCc2cc(C)n[nH]2)cc([N+](=O)[O-])c1 ZINC000903098620 634967841 /nfs/dbraw/zinc/96/78/41/634967841.db2.gz RPSSLFVEEPRGHN-JTQLQIEISA-N 0 1 290.323 2.486 20 5 CEBDMN CO[C@@H](c1ccc(Cl)cc1)[C@H](C)NCC[N+](=O)[O-] ZINC000905126053 635835482 /nfs/dbraw/zinc/83/54/82/635835482.db2.gz CQNBPFMZPHIZEY-JOYOIKCWSA-N 0 1 272.732 2.282 20 5 CEBDMN O=[N+]([O-])CCN[C@@H]1C[C@H]1c1ccccc1Br ZINC000905247775 636172140 /nfs/dbraw/zinc/17/21/40/636172140.db2.gz LSMQYELFBDMVGC-GXSJLCMTSA-N 0 1 285.141 2.171 20 5 CEBDMN COc1ccc([C@@H](C)OC(=O)[C@@H]2CC2[N+](=O)[O-])cc1C ZINC000906359581 636716073 /nfs/dbraw/zinc/71/60/73/636716073.db2.gz DXUAPLJONRGHEC-YUSALJHKSA-N 0 1 279.292 2.273 20 5 CEBDMN O=C(NCC[C@@H]1CC[C@@H]2C[C@@H]21)c1cc(O)cc([N+](=O)[O-])c1 ZINC000927482679 637223739 /nfs/dbraw/zinc/22/37/39/637223739.db2.gz HQLWMEVHYLAUTA-IMSIIYSGSA-N 0 1 290.319 2.466 20 5 CEBDMN C[S@@](=O)CCN1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000831538597 637365844 /nfs/dbraw/zinc/36/58/44/637365844.db2.gz GIQSACSTJQXJDF-ZUOKHONESA-N 0 1 296.392 2.153 20 5 CEBDMN O=C(COC1CCCC1)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837445162 639231477 /nfs/dbraw/zinc/23/14/77/639231477.db2.gz BFSWTEWHMMHPRQ-UHFFFAOYSA-N 0 1 295.291 2.303 20 5 CEBDMN CN1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000168615102 639573448 /nfs/dbraw/zinc/57/34/48/639573448.db2.gz IAPSEWRGQSHQMB-JTQLQIEISA-N 0 1 297.742 2.072 20 5 CEBDMN Cc1ccc(C2(NC(=O)[C@@H]3CC3[N+](=O)[O-])CCC2)cc1 ZINC000843735945 640513927 /nfs/dbraw/zinc/51/39/27/640513927.db2.gz JCJCTLVBEIRFRB-CHWSQXEVSA-N 0 1 274.320 2.156 20 5 CEBDMN C[C@H](CCO)N(C)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000844447436 640729860 /nfs/dbraw/zinc/72/98/60/640729860.db2.gz OHTIBNGKGAQKPT-SECBINFHSA-N 0 1 272.732 2.451 20 5 CEBDMN COc1cc(OC)cc(OC(=O)c2ccc([N+](=O)[O-])[nH]2)c1 ZINC000916859762 640825912 /nfs/dbraw/zinc/82/59/12/640825912.db2.gz SBUFEURPWXPZRS-UHFFFAOYSA-N 0 1 292.247 2.159 20 5 CEBDMN CC[C@@H](OCCOC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccccc1 ZINC000845174082 640920951 /nfs/dbraw/zinc/92/09/51/640920951.db2.gz BHMVFKLYLPEHNQ-MGPQQGTHSA-N 0 1 293.319 2.363 20 5 CEBDMN O=C(OCCOC1CCCC1)c1ccc([N+](=O)[O-])[nH]1 ZINC000918518968 640967642 /nfs/dbraw/zinc/96/76/42/640967642.db2.gz ULYUUHCKHLSEDE-UHFFFAOYSA-N 0 1 268.269 2.039 20 5 CEBDMN C[C@H]1CSCCCN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000889920360 641248840 /nfs/dbraw/zinc/24/88/40/641248840.db2.gz XQQUTWWQWDKFCV-VIFPVBQESA-N 0 1 296.348 2.268 20 5 CEBDMN Cc1ccc([N+](=O)[O-])c(C)c1CN1CC2(C1)CCOC2 ZINC000877554696 650785570 /nfs/dbraw/zinc/78/55/70/650785570.db2.gz NLZXTSGSZFPEHP-UHFFFAOYSA-N 0 1 276.336 2.434 20 5 CEBDMN COc1ccc([C@@H]2C[C@H]2COC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC000851267104 642964733 /nfs/dbraw/zinc/96/47/33/642964733.db2.gz VCOFRXHZWHFKEJ-SCUASFONSA-N 0 1 291.303 2.007 20 5 CEBDMN CN(Cc1cnc[nH]1)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000852288750 643379992 /nfs/dbraw/zinc/37/99/92/643379992.db2.gz UFFAZXRKGIOKAU-UHFFFAOYSA-N 0 1 264.260 2.089 20 5 CEBDMN O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CC[C@H]2COC[C@H]2C1 ZINC000852669976 643506189 /nfs/dbraw/zinc/50/61/89/643506189.db2.gz UOEVHLLSZGQSSJ-CMPLNLGQSA-N 0 1 280.299 2.202 20 5 CEBDMN O=[N+]([O-])c1ccc(F)cc1CN1CC[C@H]2COC[C@H]2C1 ZINC000852669976 643506192 /nfs/dbraw/zinc/50/61/92/643506192.db2.gz UOEVHLLSZGQSSJ-CMPLNLGQSA-N 0 1 280.299 2.202 20 5 CEBDMN CON(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])[C@@H](C)c1ccccc1C ZINC000854524692 644080538 /nfs/dbraw/zinc/08/05/38/644080538.db2.gz WTASHAXQJLDUNT-CYZMBNFOSA-N 0 1 278.308 2.111 20 5 CEBDMN C[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccccc1Cl ZINC000839456590 644235457 /nfs/dbraw/zinc/23/54/57/644235457.db2.gz NESULPNYSQRLGK-JVUFJMBOSA-N 0 1 268.700 2.182 20 5 CEBDMN CC(C)(O)[C@H]1CCN(Cc2csc([N+](=O)[O-])c2)C1 ZINC000877834978 650926991 /nfs/dbraw/zinc/92/69/91/650926991.db2.gz CKQDCUPIEAURKN-JTQLQIEISA-N 0 1 270.354 2.249 20 5 CEBDMN C[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccc(F)cc1Cl ZINC000839685269 644773607 /nfs/dbraw/zinc/77/36/07/644773607.db2.gz FZVCSKPORJDVQD-PTHKFVFGSA-N 0 1 286.690 2.322 20 5 CEBDMN CC(C)n1cc2ccc(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])cc2n1 ZINC000839688053 644774555 /nfs/dbraw/zinc/77/45/55/644774555.db2.gz KMVUTIUWYIBOND-DGCLKSJQSA-N 0 1 288.307 2.221 20 5 CEBDMN C[C@@H]1[C@@H](Cc2ccccc2)CCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839695930 644776227 /nfs/dbraw/zinc/77/62/27/644776227.db2.gz NDOJRGQXHMSEQN-NMFUWQPSSA-N 0 1 288.347 2.131 20 5 CEBDMN CCc1ccc(CC)c(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 ZINC000839694277 644776438 /nfs/dbraw/zinc/77/64/38/644776438.db2.gz MTQKDOUFVFJWIA-DGCLKSJQSA-N 0 1 262.309 2.415 20 5 CEBDMN C[C@H]1[C@@H](CO)CCCN1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000839672377 644780402 /nfs/dbraw/zinc/78/04/02/644780402.db2.gz FVKQADUSYLENOP-CMPLNLGQSA-N 0 1 282.315 2.327 20 5 CEBDMN CCCN(CCc1cccc(F)c1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839683677 644784534 /nfs/dbraw/zinc/78/45/34/644784534.db2.gz IUOVBEJHWHKAFT-ZIAGYGMSSA-N 0 1 294.326 2.272 20 5 CEBDMN C/C(=C/c1ccccc1)CN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839735670 644786159 /nfs/dbraw/zinc/78/61/59/644786159.db2.gz DXAOOBCURLVGDX-RDNHTORASA-N 0 1 274.320 2.214 20 5 CEBDMN CC(C)[C@H]1CCC[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000839729015 644795197 /nfs/dbraw/zinc/79/51/97/644795197.db2.gz UVIBQTLHQDGVCY-UMSGYPCISA-N 0 1 268.357 2.373 20 5 CEBDMN Cc1ccc2c(c1)[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])CCC2 ZINC000839772005 644810463 /nfs/dbraw/zinc/81/04/63/644810463.db2.gz YHNHITLHYPKDLC-HZSPNIEDSA-N 0 1 274.320 2.154 20 5 CEBDMN O=C(N[C@H]1C[C@H](c2ccccc2Cl)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000839779843 644814308 /nfs/dbraw/zinc/81/43/08/644814308.db2.gz MOYBTPNWAKPHRX-RUSTZOOPSA-N 0 1 294.738 2.367 20 5 CEBDMN C[C@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)c1ccc[nH]1 ZINC000760961773 645217764 /nfs/dbraw/zinc/21/77/64/645217764.db2.gz RHDWSPVZYOLOIT-QMMMGPOBSA-N 0 1 299.290 2.290 20 5 CEBDMN CNC(=O)[C@@H](NCc1ccc([N+](=O)[O-])c(Cl)c1)C(C)C ZINC000761526379 645293585 /nfs/dbraw/zinc/29/35/85/645293585.db2.gz ACYRLOARHJGOQL-LBPRGKRZSA-N 0 1 299.758 2.108 20 5 CEBDMN C[C@@H]1CN(Cc2cc(F)ccc2[N+](=O)[O-])[C@@H](C)CN1C ZINC000768767980 646161810 /nfs/dbraw/zinc/16/18/10/646161810.db2.gz CYNQHPSSACHCGP-MNOVXSKESA-N 0 1 281.331 2.258 20 5 CEBDMN COc1c(C)cc(Cl)cc1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000862860086 646587063 /nfs/dbraw/zinc/58/70/63/646587063.db2.gz RCUHJNABRFFOIR-PSASIEDQSA-N 0 1 284.699 2.261 20 5 CEBDMN CC1(C)CCC(C)(NC(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC000862966813 646607913 /nfs/dbraw/zinc/60/79/13/646607913.db2.gz LNTPMHNLZXOTCY-UHFFFAOYSA-N 0 1 280.328 2.407 20 5 CEBDMN CC(C)[C@@H]1C[C@@H]1COC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000774846799 646901954 /nfs/dbraw/zinc/90/19/54/646901954.db2.gz DZDDAFZALXECSF-BDAKNGLRSA-N 0 1 252.270 2.372 20 5 CEBDMN COC(=O)/C(C)=C\CN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000775181893 646928652 /nfs/dbraw/zinc/92/86/52/646928652.db2.gz ZSQHLXXKMLWIEQ-BRNRAETOSA-N 0 1 278.308 2.365 20 5 CEBDMN CCCCCNC(=O)[C@](C)(N)c1cccc([N+](=O)[O-])c1 ZINC000867942129 647995220 /nfs/dbraw/zinc/99/52/20/647995220.db2.gz MCXJRLSMISZUDK-CQSZACIVSA-N 0 1 279.340 2.075 20 5 CEBDMN CN(CCc1ccc(Br)cc1)CC[N+](=O)[O-] ZINC000791051561 648475980 /nfs/dbraw/zinc/47/59/80/648475980.db2.gz FBYQZGPPRRKASU-UHFFFAOYSA-N 0 1 287.157 2.200 20 5 CEBDMN CCOC1CCC(OC(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000870799481 648924444 /nfs/dbraw/zinc/92/44/44/648924444.db2.gz FJKMXVBHXGDAMP-UHFFFAOYSA-N 0 1 282.296 2.427 20 5 CEBDMN C[C@@H](NCC1(C)COC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872034751 649248497 /nfs/dbraw/zinc/24/84/97/649248497.db2.gz ISMQSZSUZRCOMT-SECBINFHSA-N 0 1 268.288 2.421 20 5 CEBDMN C[C@H](NCCc1ccnn1C)c1c(F)cccc1[N+](=O)[O-] ZINC000872062777 649258565 /nfs/dbraw/zinc/25/85/65/649258565.db2.gz POSYABJSWSCJNV-JTQLQIEISA-N 0 1 292.314 2.361 20 5 CEBDMN Cc1nonc1CN[C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000872135470 649288645 /nfs/dbraw/zinc/28/86/45/649288645.db2.gz HKWVPQQIEGMFLF-QMMMGPOBSA-N 0 1 294.286 2.146 20 5 CEBDMN Cc1ccc(CNC[C@@H](O)c2cccc([N+](=O)[O-])c2)o1 ZINC000872223870 649321407 /nfs/dbraw/zinc/32/14/07/649321407.db2.gz OGXAWMNPJYZURF-CQSZACIVSA-N 0 1 276.292 2.319 20 5 CEBDMN O=[N+]([O-])c1ccc(CN2C[C@@H]3COC[C@@H]3C2)cc1Cl ZINC000872266177 649333800 /nfs/dbraw/zinc/33/38/00/649333800.db2.gz BFNJTNSERGSKFG-PHIMTYICSA-N 0 1 282.727 2.326 20 5 CEBDMN O=[N+]([O-])c1cccc([C@@H](O)CN2CCC(F)CC2)c1 ZINC000880240134 651407105 /nfs/dbraw/zinc/40/71/05/651407105.db2.gz MNZSPZTZJBTQPO-ZDUSSCGKSA-N 0 1 268.288 2.062 20 5 CEBDMN C[C@@]1(Cc2cccs2)CCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000885250539 652994377 /nfs/dbraw/zinc/99/43/77/652994377.db2.gz KIKWLXZBWAMULZ-BZPMIXESSA-N 0 1 294.376 2.337 20 5 CEBDMN C[C@@H]1CN(c2nccc(Cl)c2[N+](=O)[O-])[C@H](C)CN1C ZINC001164629722 719154200 /nfs/dbraw/zinc/15/42/00/719154200.db2.gz CNQMOMVTCRJYPV-RKDXNWHRSA-N 0 1 284.747 2.172 20 5 CEBDMN CCC[C@@H](CC)Oc1nc(C)[nH]c(=O)c1[N+](=O)[O-] ZINC001229380906 806478426 /nfs/dbraw/zinc/47/84/26/806478426.db2.gz NESXQSRXEWZTAT-MRVPVSSYSA-N 0 1 255.274 2.356 20 5 CEBDMN CCOC(=O)c1nonc1Nc1ccc(F)c([N+](=O)[O-])c1 ZINC001211190170 802787027 /nfs/dbraw/zinc/78/70/27/802787027.db2.gz OOVDIKKHNGSUDS-UHFFFAOYSA-N 0 1 296.214 2.037 20 5 CEBDMN CN(CCNCc1csc([N+](=O)[O-])c1)C(=O)C(C)(C)C ZINC001267458276 803474695 /nfs/dbraw/zinc/47/46/95/803474695.db2.gz LVPYBFOMXRDUNA-UHFFFAOYSA-N 0 1 299.396 2.250 20 5 CEBDMN CCCC[C@H](CCC)CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001127050080 806993581 /nfs/dbraw/zinc/99/35/81/806993581.db2.gz GSBTXTMLGCDWTL-QJPTWQEYSA-N 0 1 256.346 2.374 20 5 CEBDMN C[C@H]1CCN(Cc2ccc([N+](=O)[O-])c(F)c2)C[C@H]1CO ZINC000700415268 809309488 /nfs/dbraw/zinc/30/94/88/809309488.db2.gz NBAAQBIRIPHYDW-JQWIXIFHSA-N 0 1 282.315 2.184 20 5 CEBDMN Cc1cnc(CN)n1-c1cc2cccnc2c([N+](=O)[O-])c1 ZINC001169029933 811344368 /nfs/dbraw/zinc/34/43/68/811344368.db2.gz YWZWQLUMZXVOGQ-UHFFFAOYSA-N 0 1 283.291 2.096 20 5 CEBDMN COC1CN([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172904737 815541093 /nfs/dbraw/zinc/54/10/93/815541093.db2.gz ACMMKZDCPYQLOE-ZDUSSCGKSA-N 0 1 276.336 2.173 20 5 CEBDMN CCN1CCN(c2ccc(C)cc2[N+](=O)[O-])C[C@@H]1C ZINC000754081039 814119207 /nfs/dbraw/zinc/11/92/07/814119207.db2.gz WVCLQXMMNNRTTN-LBPRGKRZSA-N 0 1 263.341 2.434 20 5 CEBDMN CCN1CC[C@H]1CNc1cccc(OC)c1[N+](=O)[O-] ZINC000712543639 814764975 /nfs/dbraw/zinc/76/49/75/814764975.db2.gz RMMIJYXYJYNQDX-JTQLQIEISA-N 0 1 265.313 2.110 20 5 CEBDMN O=C(NCc1cccc(C(F)F)c1)c1n[nH]cc1[N+](=O)[O-] ZINC001116710403 814877588 /nfs/dbraw/zinc/87/75/88/814877588.db2.gz YKAJEJVNOCJNGL-UHFFFAOYSA-N 0 1 296.233 2.186 20 5 CEBDMN C[C@H](Cc1ccc([N+](=O)[O-])cc1)NCc1cocn1 ZINC001173219229 815624809 /nfs/dbraw/zinc/62/48/09/815624809.db2.gz ZGTGRDPJQVLPDJ-SNVBAGLBSA-N 0 1 261.281 2.304 20 5 CEBDMN CCCNC(=O)[C@H](C)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000036959500 361874571 /nfs/dbraw/zinc/87/45/71/361874571.db2.gz IZYJSACYMIYFLE-RYUDHWBXSA-N 0 1 293.367 2.469 20 5 CEBDMN CCc1nc(CNCC=Cc2ccccc2[N+](=O)[O-])n[nH]1 ZINC000449350566 282196774 /nfs/dbraw/zinc/19/67/74/282196774.db2.gz ZXMNFHLIBKTFBV-ALCCZGGFSA-N 0 1 287.323 2.078 20 5 CEBDMN COC[C@@]1(C)CC[N@@H+](Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000449389462 282213244 /nfs/dbraw/zinc/21/32/44/282213244.db2.gz DBEPKQSIVGKRLN-AWEZNQCLSA-N 0 1 280.324 2.159 20 5 CEBDMN COCCN(C)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000042459196 362097405 /nfs/dbraw/zinc/09/74/05/362097405.db2.gz XXVRDPDXHMCPNJ-UHFFFAOYSA-N 0 1 258.705 2.326 20 5 CEBDMN COc1ccc(CN2CC[C@H](OC)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000449493509 282257027 /nfs/dbraw/zinc/25/70/27/282257027.db2.gz DZWXRSDMCNWCNS-FZMZJTMJSA-N 0 1 294.351 2.460 20 5 CEBDMN CCN(CC(=O)Nc1ccc(C)c([N+](=O)[O-])c1)C1CC1 ZINC000029912056 343401945 /nfs/dbraw/zinc/40/19/45/343401945.db2.gz WOBVLSNRGAFHOD-UHFFFAOYSA-N 0 1 277.324 2.326 20 5 CEBDMN O=C(NCC1CCCC1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000033055102 343416544 /nfs/dbraw/zinc/41/65/44/343416544.db2.gz SSXGIWVFKXEIHY-UHFFFAOYSA-N 0 1 288.307 2.391 20 5 CEBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@@H]1c1cccc(F)c1 ZINC000055864907 343609325 /nfs/dbraw/zinc/60/93/25/343609325.db2.gz IXZLLTFLPZBDJZ-UPJWGTAASA-N 0 1 278.283 2.154 20 5 CEBDMN CCCc1[nH]nc(C(=O)N2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000068282856 343760408 /nfs/dbraw/zinc/76/04/08/343760408.db2.gz VPJCVCOILHPWOU-VIFPVBQESA-N 0 1 280.328 2.143 20 5 CEBDMN C[C@H](C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)N(C)C ZINC000602122498 346978759 /nfs/dbraw/zinc/97/87/59/346978759.db2.gz CRYZFJLJIJMAOV-LLVKDONJSA-N 0 1 291.351 2.036 20 5 CEBDMN C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000076520654 343892124 /nfs/dbraw/zinc/89/21/24/343892124.db2.gz CHLDSWZFNBXMOZ-MWQHPAIMSA-N 0 1 292.310 2.195 20 5 CEBDMN CCOC(=O)[C@@H]1CCCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000048580782 362288079 /nfs/dbraw/zinc/28/80/79/362288079.db2.gz NRQGUXNHMJQWJR-CYBMUJFWSA-N 0 1 292.335 2.370 20 5 CEBDMN CCC[C@@H](N[C@@H](C)C(=O)NC)c1cccc([N+](=O)[O-])c1 ZINC000049096075 362339206 /nfs/dbraw/zinc/33/92/06/362339206.db2.gz JJWHWWWLIFFTHD-GXFFZTMASA-N 0 1 279.340 2.160 20 5 CEBDMN Cc1c(CN2CC[C@@H](C)[C@H](O)C2)cccc1[N+](=O)[O-] ZINC000093334626 344220521 /nfs/dbraw/zinc/22/05/21/344220521.db2.gz HLJCOUVABXNRCN-QMTHXVAHSA-N 0 1 264.325 2.106 20 5 CEBDMN CC1(C)[C@@H]2C[N@H+](Cc3cc([O-])ccc3[N+](=O)[O-])C[C@@H]21 ZINC000093660974 344227746 /nfs/dbraw/zinc/22/77/46/344227746.db2.gz LXXSBAVEIGNCBR-TXEJJXNPSA-N 0 1 262.309 2.388 20 5 CEBDMN COc1cc(CN2CC[C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000092471397 344191020 /nfs/dbraw/zinc/19/10/20/344191020.db2.gz GPXABBYBYQQMPJ-JTQLQIEISA-N 0 1 280.324 2.454 20 5 CEBDMN CCCCN(CCO)Cc1ccccc1[N+](=O)[O-] ZINC000049800302 362376035 /nfs/dbraw/zinc/37/60/35/362376035.db2.gz TZZNYOVPZSQVIY-UHFFFAOYSA-N 0 1 252.314 2.189 20 5 CEBDMN COc1ccc([N+](=O)[O-])cc1CN1CCCCC[C@H]1CO ZINC000157129707 344445475 /nfs/dbraw/zinc/44/54/75/344445475.db2.gz QYJPEHMDRCKKPO-AWEZNQCLSA-N 0 1 294.351 2.340 20 5 CEBDMN C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H](C(=O)[O-])[C@@H]1C ZINC000227584274 344554784 /nfs/dbraw/zinc/55/47/84/344554784.db2.gz RGRFDOIHYWSSOG-NRUUGDAUSA-N 0 1 278.308 2.451 20 5 CEBDMN Cc1ccc(-c2nc([C@@H]3CCCN3)no2)cc1[N+](=O)[O-] ZINC000228560668 344561143 /nfs/dbraw/zinc/56/11/43/344561143.db2.gz DKONBNHCDMYECX-JTQLQIEISA-N 0 1 274.280 2.378 20 5 CEBDMN O=[N+]([O-])c1cc(C(F)(F)F)ccc1CN[C@@H]1CCOC1 ZINC000602573075 347083517 /nfs/dbraw/zinc/08/35/17/347083517.db2.gz YCNLCPGAQKWZSW-SNVBAGLBSA-N 0 1 290.241 2.492 20 5 CEBDMN C[C@]1(NCc2nc3cc([N+](=O)[O-])ccc3o2)CCOC1 ZINC000602576279 347084612 /nfs/dbraw/zinc/08/46/12/347084612.db2.gz KUWSMDABHVLXHT-ZDUSSCGKSA-N 0 1 277.280 2.005 20 5 CEBDMN C[C@@H]1CO[C@@H](C)CN1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000055901589 362555415 /nfs/dbraw/zinc/55/54/15/362555415.db2.gz BCZRPONZAYWBND-OLZOCXBDSA-N 0 1 294.351 2.473 20 5 CEBDMN C[C@H]1CC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C[C@H]1C(=O)[O-] ZINC000592397735 345350124 /nfs/dbraw/zinc/35/01/24/345350124.db2.gz RYMDBEJHBYMMDG-VHSXEESVSA-N 0 1 296.298 2.277 20 5 CEBDMN CC[C@@H](C(=O)[O-])[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1C ZINC000593333715 345468621 /nfs/dbraw/zinc/46/86/21/345468621.db2.gz ZKAVLEHADFMVST-LBPRGKRZSA-N 0 1 266.297 2.198 20 5 CEBDMN C[C@H]1CC[N@@H+](Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC000593734808 345529834 /nfs/dbraw/zinc/52/98/34/345529834.db2.gz FAURNKCQAZIOHE-VIFPVBQESA-N 0 1 264.281 2.135 20 5 CEBDMN CC(C)[N@@H+](CCOc1ccccc1[N+](=O)[O-])CCC(=O)[O-] ZINC000593746566 345531389 /nfs/dbraw/zinc/53/13/89/345531389.db2.gz LOASCYAUZVSXHI-UHFFFAOYSA-N 0 1 296.323 2.159 20 5 CEBDMN Cc1cc(CC(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)n[nH]1 ZINC000133858015 232213849 /nfs/dbraw/zinc/21/38/49/232213849.db2.gz SKDBXQNXTAWMMX-UHFFFAOYSA-N 0 1 288.307 2.424 20 5 CEBDMN Cc1cc([N+](=O)[O-])ccc1C[N@@H+](CC(=O)[O-])C1CCC1 ZINC000594540420 345644861 /nfs/dbraw/zinc/64/48/61/345644861.db2.gz YLJNGIUMCCYABG-UHFFFAOYSA-N 0 1 278.308 2.342 20 5 CEBDMN Cc1c(CNCc2cnn3c2CCC3)cccc1[N+](=O)[O-] ZINC000594938699 345710266 /nfs/dbraw/zinc/71/02/66/345710266.db2.gz ONJKQQBCFNZMGN-UHFFFAOYSA-N 0 1 286.335 2.336 20 5 CEBDMN COC[C@H](CN(Cc1ccc([N+](=O)[O-])cc1)C1CC1)OC ZINC000595405098 345775465 /nfs/dbraw/zinc/77/54/65/345775465.db2.gz SSOUECBEQOJKDW-HNNXBMFYSA-N 0 1 294.351 2.221 20 5 CEBDMN Cc1noc(CN([C@H](C)CO)C2CCCC2)c1[N+](=O)[O-] ZINC000595452013 345785996 /nfs/dbraw/zinc/78/59/96/345785996.db2.gz GFLUELLXKLUXNJ-SECBINFHSA-N 0 1 283.328 2.017 20 5 CEBDMN O=[N+]([O-])c1cc(F)ccc1CN1CCC[C@H]1CCO ZINC000595450585 345786011 /nfs/dbraw/zinc/78/60/11/345786011.db2.gz UWTAJOCMGOZPAG-LBPRGKRZSA-N 0 1 268.288 2.081 20 5 CEBDMN COc1cc([N+](=O)[O-])ccc1CN1C[C@H](C)C(O)[C@@H](C)C1 ZINC000595731364 345861953 /nfs/dbraw/zinc/86/19/53/345861953.db2.gz DHGVXTZASWVPQO-QWRGUYRKSA-N 0 1 294.351 2.052 20 5 CEBDMN C[C@]12COC[C@H]1CN(Cc1ccc(F)cc1[N+](=O)[O-])C2 ZINC000595767770 345872055 /nfs/dbraw/zinc/87/20/55/345872055.db2.gz OJOWURIWQOJOMY-RISCZKNCSA-N 0 1 280.299 2.202 20 5 CEBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC(=O)N(C)CC1 ZINC000595771661 345872445 /nfs/dbraw/zinc/87/24/45/345872445.db2.gz DDTRUIQUERZSKY-GFCCVEGCSA-N 0 1 291.351 2.128 20 5 CEBDMN O=[N+]([O-])c1cc(F)ccc1N1CCCc2[nH]ncc2C1 ZINC000596003934 345922627 /nfs/dbraw/zinc/92/26/27/345922627.db2.gz VJKAPZONUVZCQS-UHFFFAOYSA-N 0 1 276.271 2.410 20 5 CEBDMN Cc1cc(N2CC[C@H](c3nc[nH]n3)C2)c([N+](=O)[O-])s1 ZINC000596281318 345990694 /nfs/dbraw/zinc/99/06/94/345990694.db2.gz LAZUNABOXYZYFN-QMMMGPOBSA-N 0 1 279.325 2.077 20 5 CEBDMN COC[C@H](CSCc1cc(O)ccc1[N+](=O)[O-])OC ZINC000596393115 346013581 /nfs/dbraw/zinc/01/35/81/346013581.db2.gz HRTFIIQQCWZFRD-LLVKDONJSA-N 0 1 287.337 2.195 20 5 CEBDMN C[C@]1(CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1(F)F ZINC000598213211 346306494 /nfs/dbraw/zinc/30/64/94/346306494.db2.gz AXIOLINJQUVYGQ-LLVKDONJSA-N 0 1 286.234 2.076 20 5 CEBDMN O=C(CCCF)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000598681476 346400241 /nfs/dbraw/zinc/40/02/41/346400241.db2.gz MKGBLLWCRBINQW-UHFFFAOYSA-N 0 1 293.258 2.068 20 5 CEBDMN Cc1cc([N+](=O)[O-])ccc1CN[C@H](C)[C@@H](O)C(F)(F)F ZINC000601153465 346771223 /nfs/dbraw/zinc/77/12/23/346771223.db2.gz OIVLIIFWXIYLFW-LDYMZIIASA-N 0 1 292.257 2.305 20 5 CEBDMN CC(C)[C@H]1CN(c2ccsc2[N+](=O)[O-])CCN1C ZINC000601262408 346804496 /nfs/dbraw/zinc/80/44/96/346804496.db2.gz BQRMJWASBAVEDG-LLVKDONJSA-N 0 1 269.370 2.433 20 5 CEBDMN O=[N+]([O-])c1cc(C(F)(F)F)ccc1CNC/C=C\CO ZINC000602711322 347165139 /nfs/dbraw/zinc/16/51/39/347165139.db2.gz RBYMGWUYFQAYRT-UPHRSURJSA-N 0 1 290.241 2.252 20 5 CEBDMN C[C@@H](O)CN(Cc1nc2cc([N+](=O)[O-])ccc2o1)C1CC1 ZINC000602711405 347165178 /nfs/dbraw/zinc/16/51/78/347165178.db2.gz QAPCTOAXBPRBLZ-SECBINFHSA-N 0 1 291.307 2.081 20 5 CEBDMN CN(Cc1ccc(F)cc1[N+](=O)[O-])[C@@H]1CCCC[C@H]1O ZINC000602931813 347250648 /nfs/dbraw/zinc/25/06/48/347250648.db2.gz SSSPXXBZBDBQNJ-TZMCWYRMSA-N 0 1 282.315 2.469 20 5 CEBDMN Cc1noc(CN2CC[C@H](O)[C@H]3CCCC[C@H]32)c1[N+](=O)[O-] ZINC000602998012 347270693 /nfs/dbraw/zinc/27/06/93/347270693.db2.gz VTMFSBPFRGPMGP-TUAOUCFPSA-N 0 1 295.339 2.017 20 5 CEBDMN C[C@@H](c1ccccc1[N+](=O)[O-])n1cc(CNC2CC2)nn1 ZINC000603220932 347313404 /nfs/dbraw/zinc/31/34/04/347313404.db2.gz XQIPQGBBODAJJE-JTQLQIEISA-N 0 1 287.323 2.048 20 5 CEBDMN O=[N+]([O-])c1cccnc1Nc1cnn(-c2ccncc2)c1 ZINC000608909219 347623994 /nfs/dbraw/zinc/62/39/94/347623994.db2.gz BZEPAKZIGLFTQM-UHFFFAOYSA-N 0 1 282.263 2.314 20 5 CEBDMN CCN(CCn1cc([N+](=O)[O-])cn1)CCC(F)(F)F ZINC000610447762 347682201 /nfs/dbraw/zinc/68/22/01/347682201.db2.gz SDUDEZJMIJIUOV-UHFFFAOYSA-N 0 1 280.250 2.066 20 5 CEBDMN COC[C@H]1CCCN1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000610605176 347695586 /nfs/dbraw/zinc/69/55/86/347695586.db2.gz OKKRLDNXZVMGPH-GFCCVEGCSA-N 0 1 280.324 2.214 20 5 CEBDMN Cc1cc(N2CCc3cn[nH]c3C2)ccc1[N+](=O)[O-] ZINC000611298507 347765084 /nfs/dbraw/zinc/76/50/84/347765084.db2.gz PHANCPHWOUXGBB-UHFFFAOYSA-N 0 1 258.281 2.189 20 5 CEBDMN Cc1cc(CNC/C=C/c2ccccc2[N+](=O)[O-])ncn1 ZINC000611134726 347743062 /nfs/dbraw/zinc/74/30/62/347743062.db2.gz GAPKMMYMCUDVNI-GQCTYLIASA-N 0 1 284.319 2.496 20 5 CEBDMN CC(C)c1[nH]nc(C(=O)N2CC[C@@H](C)[C@H](F)C2)c1[N+](=O)[O-] ZINC000611505559 347786887 /nfs/dbraw/zinc/78/68/87/347786887.db2.gz CQIAEIIWOFURIZ-RKDXNWHRSA-N 0 1 298.318 2.261 20 5 CEBDMN C[C@@H]1CCN(Cc2cc(O)ccc2[N+](=O)[O-])C[C@H]1F ZINC000611521515 347790957 /nfs/dbraw/zinc/79/09/57/347790957.db2.gz NZPQLTHCMAIRNA-BXKDBHETSA-N 0 1 268.288 2.480 20 5 CEBDMN C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@](C)(C(=O)[O-])C1 ZINC000086779971 179330202 /nfs/dbraw/zinc/33/02/02/179330202.db2.gz RPOPQXKQYVEBPN-QMTHXVAHSA-N 0 1 278.308 2.452 20 5 CEBDMN CC(C)C[C@@H](N)c1noc(-c2ccc([N+](=O)[O-])n2C)n1 ZINC000339386176 215138808 /nfs/dbraw/zinc/13/88/08/215138808.db2.gz WXJVAQOYZDUYQD-MRVPVSSYSA-N 0 1 279.300 2.029 20 5 CEBDMN C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[C@H](n2cncn2)C1 ZINC000614419971 348197667 /nfs/dbraw/zinc/19/76/67/348197667.db2.gz KBJPILPUZAADDN-RYUDHWBXSA-N 0 1 287.323 2.194 20 5 CEBDMN O=C(NCc1cccc([N+](=O)[O-])c1)c1n[nH]c2ccccc21 ZINC000067329678 362905367 /nfs/dbraw/zinc/90/53/67/362905367.db2.gz DHWGSEXKAAAHAG-UHFFFAOYSA-N 0 1 296.286 2.401 20 5 CEBDMN COCCCOCCN(C)Cc1cccc([N+](=O)[O-])c1C ZINC000091101910 180098269 /nfs/dbraw/zinc/09/82/69/180098269.db2.gz QIEPQJYAJZBEEA-UHFFFAOYSA-N 0 1 296.367 2.388 20 5 CEBDMN COc1cc([N+](=O)[O-])ccc1CN1CCC[C@@H]([C@@H](C)O)C1 ZINC000569062881 299176473 /nfs/dbraw/zinc/17/64/73/299176473.db2.gz WYYFCCMNBFDADA-VXGBXAGGSA-N 0 1 294.351 2.196 20 5 CEBDMN O=[N+]([O-])c1ccccc1CNC[C@H]1COC2(CCCC2)O1 ZINC000271482402 191164289 /nfs/dbraw/zinc/16/42/89/191164289.db2.gz XWNNELCOMCLHIZ-ZDUSSCGKSA-N 0 1 292.335 2.370 20 5 CEBDMN C[C@H]1CCCN1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000072874680 363176105 /nfs/dbraw/zinc/17/61/05/363176105.db2.gz FLWCXIUBUXPZND-NSHDSACASA-N 0 1 277.324 2.042 20 5 CEBDMN CCCCN(C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000073092557 363196878 /nfs/dbraw/zinc/19/68/78/363196878.db2.gz ZSZSEDAFTHQCHM-UHFFFAOYSA-N 0 1 291.351 2.216 20 5 CEBDMN CC1(C)OCC[C@@H]1NCc1c(F)cccc1[N+](=O)[O-] ZINC000451239595 282934696 /nfs/dbraw/zinc/93/46/96/282934696.db2.gz WSHDXTWDODCSHM-LBPRGKRZSA-N 0 1 268.288 2.391 20 5 CEBDMN C[C@H](O)CCCN1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000570496713 299259781 /nfs/dbraw/zinc/25/97/81/299259781.db2.gz WWSUQBIGEFEYST-NSHDSACASA-N 0 1 264.325 2.114 20 5 CEBDMN CCc1nc(CNc2ccc(C)cc2[N+](=O)[O-])n[nH]1 ZINC000294916688 199246976 /nfs/dbraw/zinc/24/69/76/199246976.db2.gz JMMQXXNUJUASTD-UHFFFAOYSA-N 0 1 261.285 2.196 20 5 CEBDMN Cc1cc([N+](=O)[O-])ccc1CN[C@@H](C)C(=O)N1CCCC1 ZINC000341539887 216006010 /nfs/dbraw/zinc/00/60/10/216006010.db2.gz WPPTXZKKBNQSGB-LBPRGKRZSA-N 0 1 291.351 2.004 20 5 CEBDMN C[N@@H+](Cc1cc([O-])ccc1[N+](=O)[O-])[C@H]1CCCC[C@@H]1O ZINC000339100010 366654265 /nfs/dbraw/zinc/65/42/65/366654265.db2.gz SZDKDROVSDYLPU-KBPBESRZSA-N 0 1 280.324 2.036 20 5 CEBDMN C[C@@H]1CCC[C@H](CO)[N@H+]1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000339040357 366627912 /nfs/dbraw/zinc/62/79/12/366627912.db2.gz BBJUCOVJXZAXSE-ZYHUDNBSSA-N 0 1 280.324 2.036 20 5 CEBDMN C[C@@H](C(=O)[O-])[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000579496899 366657058 /nfs/dbraw/zinc/65/70/58/366657058.db2.gz VJHDRQMBUUHFCM-JQWIXIFHSA-N 0 1 278.308 2.247 20 5 CEBDMN C[C@@H]1CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)[C@@H]1C ZINC000177054958 189024820 /nfs/dbraw/zinc/02/48/20/189024820.db2.gz IJBFPKPZWDTCOY-RKDXNWHRSA-N 0 1 288.307 2.342 20 5 CEBDMN COc1cc(F)c([N+](=O)[O-])c(N[C@@H](C)c2nnc[nH]2)c1 ZINC000302074312 201332642 /nfs/dbraw/zinc/33/26/42/201332642.db2.gz WZYCSWTVOUTHMF-LURJTMIESA-N 0 1 281.247 2.034 20 5 CEBDMN CCOCCN(C)Cc1cccc([N+](=O)[O-])c1C ZINC000093313760 364161214 /nfs/dbraw/zinc/16/12/14/364161214.db2.gz OJZZKEDWARATBN-UHFFFAOYSA-N 0 1 252.314 2.372 20 5 CEBDMN CCCN1CCC[C@@H]1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000112851265 364850722 /nfs/dbraw/zinc/85/07/22/364850722.db2.gz YXTNWGIKIYWSKF-CYBMUJFWSA-N 0 1 277.324 2.408 20 5 CEBDMN CC[C@H]1CN(C)CCN1Cc1ccccc1[N+](=O)[O-] ZINC000582823774 366961364 /nfs/dbraw/zinc/96/13/64/366961364.db2.gz IKEMKFZHVFCJDN-ZDUSSCGKSA-N 0 1 263.341 2.121 20 5 CEBDMN Cc1cc2[nH]ncc2cc1Nc1ccncc1[N+](=O)[O-] ZINC000340930102 367094277 /nfs/dbraw/zinc/09/42/77/367094277.db2.gz RGZGKONPIZVKLM-UHFFFAOYSA-N 0 1 269.264 2.340 20 5 CEBDMN CCN(CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000171056974 367468750 /nfs/dbraw/zinc/46/87/50/367468750.db2.gz MQRQQVDBIQNXSI-UHFFFAOYSA-N 0 1 279.340 2.288 20 5 CEBDMN CCCN(CCC)C(=O)c1n[nH]c(CC)c1[N+](=O)[O-] ZINC000171367077 367528832 /nfs/dbraw/zinc/52/88/32/367528832.db2.gz LFQKRUQXHPKBOP-UHFFFAOYSA-N 0 1 268.317 2.143 20 5 CEBDMN CN(CCn1ccc([N+](=O)[O-])n1)Cc1ccc(F)c(F)c1 ZINC000176203417 368211265 /nfs/dbraw/zinc/21/12/65/368211265.db2.gz WTXZOYVVDMDHOU-UHFFFAOYSA-N 0 1 296.277 2.202 20 5 CEBDMN COCCO[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000179340510 368333169 /nfs/dbraw/zinc/33/31/69/368333169.db2.gz BJAFIYRUGGMNJD-OAHLLOKOSA-N 0 1 294.351 2.222 20 5 CEBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H](C)C(=O)N(C)C ZINC000572783708 299399742 /nfs/dbraw/zinc/39/97/42/299399742.db2.gz UCWPUTKPCZTWMG-QWRGUYRKSA-N 0 1 279.340 2.031 20 5 CEBDMN CCc1[nH]nc(C(=O)N2CCC[C@H](C)[C@@H]2C)c1[N+](=O)[O-] ZINC000192619394 369835608 /nfs/dbraw/zinc/83/56/08/369835608.db2.gz UPHMJVHSDILLGI-IUCAKERBSA-N 0 1 280.328 2.141 20 5 CEBDMN CN(CCc1ccccc1[N+](=O)[O-])Cc1ccnn1C ZINC000352571781 369790416 /nfs/dbraw/zinc/79/04/16/369790416.db2.gz ZAAFKJLQKWAXQT-UHFFFAOYSA-N 0 1 274.324 2.003 20 5 CEBDMN COc1ccc(CN2CCC([C@H](C)O)CC2)cc1[N+](=O)[O-] ZINC000225790434 370319431 /nfs/dbraw/zinc/31/94/31/370319431.db2.gz YPRKSXPHKLQXMY-NSHDSACASA-N 0 1 294.351 2.196 20 5 CEBDMN Cc1ccnc(NC[C@@H](C)[N@@H+](C)C2CC2)c1[N+](=O)[O-] ZINC000227116179 370360965 /nfs/dbraw/zinc/36/09/65/370360965.db2.gz UXJARFYREPHHLE-SNVBAGLBSA-N 0 1 264.329 2.193 20 5 CEBDMN COc1ccc([N+](=O)[O-])cc1CN1CCC[C@](C)(O)CC1 ZINC000230376381 370458390 /nfs/dbraw/zinc/45/83/90/370458390.db2.gz KLHPNEUYWHTLES-HNNXBMFYSA-N 0 1 294.351 2.340 20 5 CEBDMN C[C@H](N[C@@H]1CCN(C2CC2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000331438185 203844909 /nfs/dbraw/zinc/84/49/09/203844909.db2.gz DCIYLBUUPLXYBC-IINYFYTJSA-N 0 1 289.335 2.009 20 5 CEBDMN O=[N+]([O-])c1cccc(CN2CCS[C@@H]3COCC[C@H]32)c1 ZINC000246947248 371035213 /nfs/dbraw/zinc/03/52/13/371035213.db2.gz NTYSCEUJNDDFMZ-ZIAGYGMSSA-N 0 1 294.376 2.301 20 5 CEBDMN Cc1nc2ccc(Cn3cc([N+](=O)[O-])cn3)cc2[nH]1 ZINC000358856427 371247856 /nfs/dbraw/zinc/24/78/56/371247856.db2.gz VXNXGLUPMNRXEC-UHFFFAOYSA-N 0 1 257.253 2.024 20 5 CEBDMN Cc1coc(-c2cccc(NC(=O)[C@@H]3C[C@@H]3[N+](=O)[O-])c2)n1 ZINC000361346526 371798794 /nfs/dbraw/zinc/79/87/94/371798794.db2.gz NDIOZUIAGBZMHQ-NEPJUHHUSA-N 0 1 287.275 2.254 20 5 CEBDMN O=C(N[C@@H]1CCCc2cn[nH]c21)c1csc([N+](=O)[O-])c1 ZINC000269040553 372322995 /nfs/dbraw/zinc/32/29/95/372322995.db2.gz YHUFUYOIXSNLCW-SECBINFHSA-N 0 1 292.320 2.187 20 5 CEBDMN O=C(N[C@H](c1ccccn1)C1CCCC1)[C@@H]1CC1[N+](=O)[O-] ZINC000365584678 372899261 /nfs/dbraw/zinc/89/92/61/372899261.db2.gz MINYZWOAQOYEDF-BNOWGMLFSA-N 0 1 289.335 2.094 20 5 CEBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1C[C@H]2CCC[C@@H]2C1 ZINC000272687584 373616275 /nfs/dbraw/zinc/61/62/75/373616275.db2.gz PPAWHAXVWRGUFU-NXEZZACHSA-N 0 1 276.292 2.173 20 5 CEBDMN O=C([C@H]1CC1[N+](=O)[O-])N1CC=C(c2cccc(F)c2)CC1 ZINC000370252103 373617072 /nfs/dbraw/zinc/61/70/72/373617072.db2.gz YYMLOZQSQDSCIM-UONOGXRCSA-N 0 1 290.294 2.107 20 5 CEBDMN CC1(C)CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C[C@@H]1c1ccccc1 ZINC000372113357 374044806 /nfs/dbraw/zinc/04/48/06/374044806.db2.gz JBDZRYKIWBFNOW-MGPQQGTHSA-N 0 1 288.347 2.304 20 5 CEBDMN CCOc1cc(CN2CC[C@H](OC)C2)ccc1[N+](=O)[O-] ZINC000276841073 374321807 /nfs/dbraw/zinc/32/18/07/374321807.db2.gz CICCSHAHTVXPLQ-LBPRGKRZSA-N 0 1 280.324 2.214 20 5 CEBDMN CCOc1cc(CN2C[C@@H](CC)[C@H](O)C2)ccc1[N+](=O)[O-] ZINC000276854732 374325479 /nfs/dbraw/zinc/32/54/79/374325479.db2.gz FGJVAUDXQXBKCV-TZMCWYRMSA-N 0 1 294.351 2.196 20 5 CEBDMN NC(=O)c1ccc(CN2C[C@H]3CCCC[C@H]32)c([N+](=O)[O-])c1 ZINC000377770399 374948286 /nfs/dbraw/zinc/94/82/86/374948286.db2.gz DQZRVNPGTSUWSB-DGCLKSJQSA-N 0 1 289.335 2.068 20 5 CEBDMN CN(CCc1cccc([N+](=O)[O-])c1)Cc1ccnn1C ZINC000282469079 375493235 /nfs/dbraw/zinc/49/32/35/375493235.db2.gz NOWBRUKRUQOAIS-UHFFFAOYSA-N 0 1 274.324 2.003 20 5 CEBDMN CN(CCc1cccc([N+](=O)[O-])c1)Cc1cncn1C ZINC000282512893 375503067 /nfs/dbraw/zinc/50/30/67/375503067.db2.gz SEZWERSRWLBYOZ-UHFFFAOYSA-N 0 1 274.324 2.003 20 5 CEBDMN CC[C@@H](C)[N@@H+](CCO)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000287359572 376214635 /nfs/dbraw/zinc/21/46/35/376214635.db2.gz LUTNWRUTQLZEKR-SNVBAGLBSA-N 0 1 297.311 2.096 20 5 CEBDMN CC[C@@H](C)N(CCO)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000287359572 376214641 /nfs/dbraw/zinc/21/46/41/376214641.db2.gz LUTNWRUTQLZEKR-SNVBAGLBSA-N 0 1 297.311 2.096 20 5 CEBDMN CC[C@H](CNCc1ccc([N+](=O)[O-])cc1F)OC ZINC000311042209 376649843 /nfs/dbraw/zinc/64/98/43/376649843.db2.gz FEGIFYUDGWYHRE-LLVKDONJSA-N 0 1 256.277 2.249 20 5 CEBDMN Cc1cc(CN(C)CCc2ccccc2[N+](=O)[O-])ncn1 ZINC000292845564 377310559 /nfs/dbraw/zinc/31/05/59/377310559.db2.gz NMPRSVXSTJEPKY-UHFFFAOYSA-N 0 1 286.335 2.368 20 5 CEBDMN O=C(N[C@@H]1C[C@H]1C1CCC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000424984365 377320500 /nfs/dbraw/zinc/32/05/00/377320500.db2.gz SMWDYRZEZGNJDT-QWHCGFSZSA-N 0 1 276.292 2.219 20 5 CEBDMN C[C@H]1C[C@@H](O)CCN1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000292875265 377326906 /nfs/dbraw/zinc/32/69/06/377326906.db2.gz WYYZTERURLYKAU-JRCXTIHVSA-N 0 1 276.336 2.453 20 5 CEBDMN CC(C)C[C@@H]1OCCC[C@@H]1NCc1c([N+](=O)[O-])ncn1C ZINC000331133931 377296920 /nfs/dbraw/zinc/29/69/20/377296920.db2.gz RHNSPNWJRPTUNS-AAEUAGOBSA-N 0 1 296.371 2.012 20 5 CEBDMN O=[N+]([O-])c1ccc(CN2C[C@@H]3CC[C@H](O)C[C@H]3C2)c(F)c1 ZINC000332234390 377549430 /nfs/dbraw/zinc/54/94/30/377549430.db2.gz PLHGXVBLOCOLKE-JKOKRWQUSA-N 0 1 294.326 2.327 20 5 CEBDMN COc1ccc(CNCc2cccn2C)cc1[N+](=O)[O-] ZINC000265643936 190196072 /nfs/dbraw/zinc/19/60/72/190196072.db2.gz KBYQTQOWFGTAKA-UHFFFAOYSA-N 0 1 275.308 2.232 20 5 CEBDMN CC[C@H]1CC[C@H](C)N1Cc1c([N+](=O)[O-])ncn1C ZINC000332687715 377669410 /nfs/dbraw/zinc/66/94/10/377669410.db2.gz UTKXYUVCYKQJRR-UWVGGRQHSA-N 0 1 252.318 2.091 20 5 CEBDMN O=C(NCC1CC(F)(F)C1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000293656084 377681129 /nfs/dbraw/zinc/68/11/29/377681129.db2.gz MENQRLAADIUJHS-UHFFFAOYSA-N 0 1 286.234 2.076 20 5 CEBDMN CC(C)ONC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000295712281 378275057 /nfs/dbraw/zinc/27/50/57/378275057.db2.gz PMXPWXGOSSZFOU-UHFFFAOYSA-N 0 1 266.297 2.329 20 5 CEBDMN Cc1cc(C)c([N+](=O)[O-])c(NCc2n[nH]c(C(C)C)n2)n1 ZINC000450626869 378505840 /nfs/dbraw/zinc/50/58/40/378505840.db2.gz WOHGTPMMCORFQQ-UHFFFAOYSA-N 0 1 290.327 2.460 20 5 CEBDMN Cc1cccc([N+](=O)[O-])c1NCCN1C[C@H]2CC[C@@H](C1)O2 ZINC000450790471 378581642 /nfs/dbraw/zinc/58/16/42/378581642.db2.gz KUNCEVQKFRCNKB-BETUJISGSA-N 0 1 291.351 2.178 20 5 CEBDMN CCc1nc(CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000296763277 378641032 /nfs/dbraw/zinc/64/10/32/378641032.db2.gz QRWLURBHZFHEHM-VIFPVBQESA-N 0 1 275.312 2.126 20 5 CEBDMN O=C(NCCc1ccccc1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000347311265 218186949 /nfs/dbraw/zinc/18/69/49/218186949.db2.gz MELZRHCUAWQEIU-UHFFFAOYSA-N 0 1 286.287 2.273 20 5 CEBDMN Cc1ccc(NC(=O)CN2CC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000520638161 379497634 /nfs/dbraw/zinc/49/76/34/379497634.db2.gz PYMUZULTBSBOOS-JTQLQIEISA-N 0 1 277.324 2.184 20 5 CEBDMN Cc1cc2[nH]ncc2cc1NC(=O)c1cc([N+](=O)[O-])cn1C ZINC000555409439 380826948 /nfs/dbraw/zinc/82/69/48/380826948.db2.gz XDQZSXALIFBNEI-UHFFFAOYSA-N 0 1 299.290 2.370 20 5 CEBDMN O=C([O-])[C@]12CCC[C@H]1C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C2 ZINC000280929050 195033580 /nfs/dbraw/zinc/03/35/80/195033580.db2.gz FUCVTRCPVIKMGZ-WFASDCNBSA-N 0 1 290.319 2.282 20 5 CEBDMN CO[C@@H](CNCc1ccc([N+](=O)[O-])cc1F)C(C)C ZINC000350340399 219009810 /nfs/dbraw/zinc/00/98/10/219009810.db2.gz DLHFSSNZAJSTDN-ZDUSSCGKSA-N 0 1 270.304 2.495 20 5 CEBDMN CC(C)(C)c1nc(CNc2ccc([N+](=O)[O-])nc2)n[nH]1 ZINC000413420170 394547257 /nfs/dbraw/zinc/54/72/57/394547257.db2.gz ULQQAANFZUSEQW-UHFFFAOYSA-N 0 1 276.300 2.018 20 5 CEBDMN CCc1onc(C)c1NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356729978 394596203 /nfs/dbraw/zinc/59/62/03/394596203.db2.gz PIEGVCYIFRTWMX-UHFFFAOYSA-N 0 1 291.263 2.412 20 5 CEBDMN Cc1cc(C)c([N+](=O)[O-])c(N2CCN(C)[C@@H](C)[C@H]2C)n1 ZINC000359095871 394740912 /nfs/dbraw/zinc/74/09/12/394740912.db2.gz KKLJFUTYOIMMAU-NWDGAFQWSA-N 0 1 278.356 2.135 20 5 CEBDMN Cc1cc([C@H]2CCCN(c3ncccc3[N+](=O)[O-])C2)[nH]n1 ZINC000282272357 394915868 /nfs/dbraw/zinc/91/58/68/394915868.db2.gz OTNKRQYPEVLLGV-NSHDSACASA-N 0 1 287.323 2.405 20 5 CEBDMN Cn1cnc([N+](=O)[O-])c1CN1CCC2(CCC2)CC1 ZINC000367539316 394964834 /nfs/dbraw/zinc/96/48/34/394964834.db2.gz YOLMLVHVFKCMBR-UHFFFAOYSA-N 0 1 264.329 2.094 20 5 CEBDMN C[C@@H](CO)CSCc1cc(O)ccc1[N+](=O)[O-] ZINC000436475798 395119958 /nfs/dbraw/zinc/11/99/58/395119958.db2.gz QEHWDPCBWDSOKQ-QMMMGPOBSA-N 0 1 257.311 2.162 20 5 CEBDMN C[C@@H]1OCC[C@@]1(C)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444704460 395447786 /nfs/dbraw/zinc/44/77/86/395447786.db2.gz LISDTMVQFZIBIA-LKFCYVNXSA-N 0 1 290.323 2.128 20 5 CEBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@H](F)C1 ZINC000451192701 395591881 /nfs/dbraw/zinc/59/18/81/395591881.db2.gz INBJILUTXONSEI-NSHDSACASA-N 0 1 295.314 2.276 20 5 CEBDMN Cc1nc([C@H]2CCCN(c3sccc3[N+](=O)[O-])C2)n[nH]1 ZINC000611413844 400666413 /nfs/dbraw/zinc/66/64/13/400666413.db2.gz ZTBXRMFUYAEESB-VIFPVBQESA-N 0 1 293.352 2.467 20 5 CEBDMN Cc1nnc([C@H]2CCCN(c3sccc3[N+](=O)[O-])C2)[nH]1 ZINC000611413844 400666419 /nfs/dbraw/zinc/66/64/19/400666419.db2.gz ZTBXRMFUYAEESB-VIFPVBQESA-N 0 1 293.352 2.467 20 5 CEBDMN CO[C@H]1CC[N@@H+](Cc2cc([O-])ccc2[N+](=O)[O-])[C@H](C)C1 ZINC000330436724 286058987 /nfs/dbraw/zinc/05/89/87/286058987.db2.gz BLBXQUZIWWBDRB-MFKMUULPSA-N 0 1 280.324 2.300 20 5 CEBDMN C[C@@H]1CN(Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1CO ZINC000190870290 153148282 /nfs/dbraw/zinc/14/82/82/153148282.db2.gz HMOUXPIHXMLRBC-KOLCDFICSA-N 0 1 284.743 2.308 20 5 CEBDMN C[C@@H]1[C@H](C)N(Cc2csc([N+](=O)[O-])c2)CCN1C ZINC000356981484 154366286 /nfs/dbraw/zinc/36/62/86/154366286.db2.gz QPKJOKOXRMFDME-ZJUUUORDSA-N 0 1 269.370 2.181 20 5 CEBDMN O=C(NCc1ccc(-c2cccnc2)cc1)[C@@H]1CC1[N+](=O)[O-] ZINC000363571888 156029958 /nfs/dbraw/zinc/02/99/58/156029958.db2.gz WKXFFGVPJYSYES-CABCVRRESA-N 0 1 297.314 2.030 20 5 CEBDMN C[C@@H]1C[C@H](c2ccccc2)CCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000366950859 156108012 /nfs/dbraw/zinc/10/80/12/156108012.db2.gz HJUYKPGHLKARRM-NGFQHRJXSA-N 0 1 288.347 2.446 20 5 CEBDMN Cc1csc2c1CN(CCn1ccc([N+](=O)[O-])n1)CC2 ZINC000367891300 156251966 /nfs/dbraw/zinc/25/19/66/156251966.db2.gz GYEFMYWBIWPUHF-UHFFFAOYSA-N 0 1 292.364 2.220 20 5 CEBDMN O=[N+]([O-])c1ccc(CN2CC[C@](O)(C3CC3)C2)cc1F ZINC000368486812 156355021 /nfs/dbraw/zinc/35/50/21/156355021.db2.gz DKMAONUGKUKQAR-CQSZACIVSA-N 0 1 280.299 2.081 20 5 CEBDMN COc1ccc(CN2CC([C@H]3CCOC3)C2)cc1[N+](=O)[O-] ZINC000376020475 157180026 /nfs/dbraw/zinc/18/00/26/157180026.db2.gz GJTXMUNFLBWUPM-LBPRGKRZSA-N 0 1 292.335 2.072 20 5 CEBDMN CCN1CCCC[C@@H]1C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000171453846 162384874 /nfs/dbraw/zinc/38/48/74/162384874.db2.gz RHUMJUGFCSLGFK-CQSZACIVSA-N 0 1 291.351 2.085 20 5 CEBDMN Cc1cc(CN[C@@H](C)c2cccc([N+](=O)[O-])c2)n(C)n1 ZINC000284251984 196012751 /nfs/dbraw/zinc/01/27/51/196012751.db2.gz IONVHFDRKRLLOR-NSHDSACASA-N 0 1 274.324 2.488 20 5 CEBDMN Cc1ccc(CN2CCN(C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000878317813 651065056 /nfs/dbraw/zinc/06/50/56/651065056.db2.gz SGDSOZQQVWWSME-GFCCVEGCSA-N 0 1 263.341 2.039 20 5 CEBDMN C[C@H](NC[C@@H](O)C(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000222632481 414844995 /nfs/dbraw/zinc/84/49/95/414844995.db2.gz RTGOUSDGAUDLKD-OIBJUYFYSA-N 0 1 278.230 2.169 20 5 CEBDMN Cc1c(C[N@@H+](C)CCCC(=O)[O-])cccc1[N+](=O)[O-] ZINC000042718215 174857069 /nfs/dbraw/zinc/85/70/69/174857069.db2.gz LFYJZUUZAJXHDB-UHFFFAOYSA-N 0 1 266.297 2.200 20 5 CEBDMN CC(C)COC[C@@H](O)CN(C)Cc1ccccc1[N+](=O)[O-] ZINC000192707851 270279273 /nfs/dbraw/zinc/27/92/73/270279273.db2.gz YHFBENWXNRWPKH-AWEZNQCLSA-N 0 1 296.367 2.060 20 5 CEBDMN COCC(C)(C)NCc1ccc([N+](=O)[O-])cc1OC ZINC000430225163 271364404 /nfs/dbraw/zinc/36/44/04/271364404.db2.gz XODOWOHDEHZVLD-UHFFFAOYSA-N 0 1 268.313 2.118 20 5 CEBDMN C[C@H](N[C@H]1CCCc2ccc([N+](=O)[O-])cc21)C(=O)N(C)C ZINC000193353481 274527326 /nfs/dbraw/zinc/52/73/26/274527326.db2.gz VXSPWAGJKVFCIY-HZMBPMFUSA-N 0 1 291.351 2.039 20 5 CEBDMN CC(C)c1[nH]nc(C(=O)N2CCC3(CCC3)C2)c1[N+](=O)[O-] ZINC000269338439 276040558 /nfs/dbraw/zinc/04/05/58/276040558.db2.gz BVJALWYYABLGJW-UHFFFAOYSA-N 0 1 292.339 2.458 20 5 CEBDMN CCN(C)C(=O)[C@H](C)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000188469027 276304646 /nfs/dbraw/zinc/30/46/46/276304646.db2.gz NSFPWKVKBWZNIT-MNOVXSKESA-N 0 1 279.340 2.112 20 5 CEBDMN O=[N+]([O-])c1ccc(CN2CCCC[C@H]2c2nnc[nH]2)cc1 ZINC000121642361 280363616 /nfs/dbraw/zinc/36/36/16/280363616.db2.gz UPVKBRVYPCQMEM-ZDUSSCGKSA-N 0 1 287.323 2.440 20 5 CEBDMN C[C@@H]1CN(c2ccc(F)cc2[N+](=O)[O-])C[C@H](C)N1C ZINC000292714899 288261353 /nfs/dbraw/zinc/26/13/53/288261353.db2.gz GYKDHJMRNYMLBO-AOOOYVTPSA-N 0 1 267.304 2.263 20 5 CEBDMN COc1cc(CN2[C@@H](C)CC(O)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000429312136 281233151 /nfs/dbraw/zinc/23/31/51/281233151.db2.gz OBBGGJHQECOFIQ-QWRGUYRKSA-N 0 1 294.351 2.337 20 5 CEBDMN CC[C@H](NCc1cnnn1CC)c1cccc([N+](=O)[O-])c1 ZINC000459390936 290134553 /nfs/dbraw/zinc/13/45/53/290134553.db2.gz UEUDIWCOLXTQHN-AWEZNQCLSA-N 0 1 289.339 2.447 20 5 CEBDMN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CC(CCO)C1 ZINC000459585594 290187064 /nfs/dbraw/zinc/18/70/64/290187064.db2.gz BGRSUGZVBLFPLD-KPKJPENVSA-N 0 1 276.336 2.312 20 5 CEBDMN Cc1ccnc(N2CCN(C)[C@H](C(C)C)C2)c1[N+](=O)[O-] ZINC000487092552 290331365 /nfs/dbraw/zinc/33/13/65/290331365.db2.gz AYVXSGKMAIMVFQ-LBPRGKRZSA-N 0 1 278.356 2.075 20 5 CEBDMN CCN(C)C(=O)[C@H](C)N[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000530385863 298067833 /nfs/dbraw/zinc/06/78/33/298067833.db2.gz WSJWOUJKJGMUSA-RYUDHWBXSA-N 0 1 293.367 2.421 20 5 CEBDMN CC(C)N(CCn1ccc([N+](=O)[O-])n1)Cc1ccccn1 ZINC000531381544 298104848 /nfs/dbraw/zinc/10/48/48/298104848.db2.gz HPICPNUKLBAQNY-UHFFFAOYSA-N 0 1 289.339 2.097 20 5 CEBDMN CC(=O)NCCN(C)Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000566973691 299032750 /nfs/dbraw/zinc/03/27/50/299032750.db2.gz DNYDQDSXQDCNNW-UHFFFAOYSA-N 0 1 293.367 2.286 20 5 CEBDMN C[C@H](c1nc(C2(N)CCC2)no1)c1cccc([N+](=O)[O-])c1 ZINC000581190162 322376568 /nfs/dbraw/zinc/37/65/68/322376568.db2.gz KEVVITFCSYCXPX-VIFPVBQESA-N 0 1 288.307 2.468 20 5 CEBDMN C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@H](C)N1 ZINC000153451696 534424015 /nfs/dbraw/zinc/42/40/15/534424015.db2.gz SYDLLADKLMMXBQ-DTORHVGOSA-N 0 1 297.742 2.071 20 5 CEBDMN CN(CCn1cc([N+](=O)[O-])cn1)Cc1ccc(F)cc1 ZINC000157683137 522998465 /nfs/dbraw/zinc/99/84/65/522998465.db2.gz AQSAYDFVJJCRRW-UHFFFAOYSA-N 0 1 278.287 2.062 20 5 CEBDMN O=C(Nc1ccc(F)cn1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356057394 534831631 /nfs/dbraw/zinc/83/16/31/534831631.db2.gz JRDHRVIZNAVJAT-UHFFFAOYSA-N 0 1 277.211 2.087 20 5 CEBDMN O=C(OCc1ccc2c(c1)CCO2)c1ccc([N+](=O)[O-])[nH]1 ZINC000728774984 574469336 /nfs/dbraw/zinc/46/93/36/574469336.db2.gz YCVGUOUNQQPOBS-UHFFFAOYSA-N 0 1 288.259 2.215 20 5 CEBDMN CCc1cc(CNc2ccc([N+](=O)[O-])c3nonc32)n[nH]1 ZINC000732803945 574631424 /nfs/dbraw/zinc/63/14/24/574631424.db2.gz BDKAXJFDAKFCDG-UHFFFAOYSA-N 0 1 288.267 2.029 20 5 CEBDMN CC(C)[N@@H+](CCC(=O)[O-])Cc1c(F)cccc1[N+](=O)[O-] ZINC000736467891 574789752 /nfs/dbraw/zinc/78/97/52/574789752.db2.gz IXDUTWIGVSPTCM-UHFFFAOYSA-N 0 1 284.287 2.419 20 5 CEBDMN CN(C(=O)[O-])[C@H]1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000739588782 574927893 /nfs/dbraw/zinc/92/78/93/574927893.db2.gz QXYXHKILQBWLNV-LBPRGKRZSA-N 0 1 293.323 2.169 20 5 CEBDMN CN(C(=O)[O-])[C@H]1CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000739588782 574927894 /nfs/dbraw/zinc/92/78/94/574927894.db2.gz QXYXHKILQBWLNV-LBPRGKRZSA-N 0 1 293.323 2.169 20 5 CEBDMN C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCCN(C(=O)[O-])CC1 ZINC000825637557 603562490 /nfs/dbraw/zinc/56/24/90/603562490.db2.gz DTOISGWBXAOKSI-LLVKDONJSA-N 0 1 293.323 2.342 20 5 CEBDMN C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCCN(C(=O)[O-])CC1 ZINC000825637557 603562493 /nfs/dbraw/zinc/56/24/93/603562493.db2.gz DTOISGWBXAOKSI-LLVKDONJSA-N 0 1 293.323 2.342 20 5 CEBDMN O=[N+]([O-])c1ccccc1CNCCO[C@H]1CCCCO1 ZINC000813332802 623155446 /nfs/dbraw/zinc/15/54/46/623155446.db2.gz DMGICHOJOYLTEG-AWEZNQCLSA-N 0 1 280.324 2.228 20 5 CEBDMN CO[C@@H]1CC[C@@H]1N(C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000934122425 624245598 /nfs/dbraw/zinc/24/55/98/624245598.db2.gz TVVBAFIHCQKRBA-WCQYABFASA-N 0 1 291.307 2.345 20 5 CEBDMN Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+](C)[C@@H](C)C(=O)[O-] ZINC000901979920 634403473 /nfs/dbraw/zinc/40/34/73/634403473.db2.gz FOIRFPNDUYQIEQ-JTQLQIEISA-N 0 1 266.297 2.117 20 5 CEBDMN O=C(OCc1nc(Cl)ccc1Cl)[C@@H]1CC1[N+](=O)[O-] ZINC000840673378 629355907 /nfs/dbraw/zinc/35/59/07/629355907.db2.gz MMAJHZOPAWKYOQ-SVGQVSJJSA-N 0 1 291.090 2.097 20 5 CEBDMN C[C@H]1CN(Cc2c(F)cc([N+](=O)[O-])cc2F)CCN1C ZINC000795978261 629726939 /nfs/dbraw/zinc/72/69/39/629726939.db2.gz XZLKONXHHCVVOP-VIFPVBQESA-N 0 1 285.294 2.009 20 5 CEBDMN O=[N+]([O-])c1ccc([C@H](O)CN2CCC(F)(F)CC2)cc1 ZINC000796539684 629927883 /nfs/dbraw/zinc/92/78/83/629927883.db2.gz CSZSPVKBOAPRNO-GFCCVEGCSA-N 0 1 286.278 2.359 20 5 CEBDMN CCn1cc(CNC[C@H](C)c2ccccc2[N+](=O)[O-])nn1 ZINC000897458577 631529363 /nfs/dbraw/zinc/52/93/63/631529363.db2.gz BXKFEAUCHVQQAS-NSHDSACASA-N 0 1 289.339 2.100 20 5 CEBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCC[C@@H]2C[C@@H]21 ZINC000804302291 631661017 /nfs/dbraw/zinc/66/10/17/631661017.db2.gz HQANDCNXCPJDMR-PELKAZGASA-N 0 1 286.291 2.096 20 5 CEBDMN CC[C@H]1C[N@@H+](C)CCN1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000814937749 632936206 /nfs/dbraw/zinc/93/62/06/632936206.db2.gz OSEJWOZGDRDXPA-JTQLQIEISA-N 0 1 294.311 2.033 20 5 CEBDMN CC[C@H]1CN(C)CCN1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000814937749 632936208 /nfs/dbraw/zinc/93/62/08/632936208.db2.gz OSEJWOZGDRDXPA-JTQLQIEISA-N 0 1 294.311 2.033 20 5 CEBDMN Cc1c(Br)cccc1CNCC[N+](=O)[O-] ZINC000899891141 633069821 /nfs/dbraw/zinc/06/98/21/633069821.db2.gz MLLCPKGJHUZGSV-UHFFFAOYSA-N 0 1 273.130 2.124 20 5 CEBDMN Cc1cccc2c1CC(C)(C)N(C(=O)[C@@H]1CC1[N+](=O)[O-])C2 ZINC000840474137 635001337 /nfs/dbraw/zinc/00/13/37/635001337.db2.gz ZFHJGKVCNOEGIB-TZMCWYRMSA-N 0 1 288.347 2.324 20 5 CEBDMN O=[N+]([O-])c1ccc(-c2noc([C@@H]3CCCCN3)n2)o1 ZINC000823270170 635119508 /nfs/dbraw/zinc/11/95/08/635119508.db2.gz OEASHNSRLMOBOU-ZETCQYMHSA-N 0 1 264.241 2.052 20 5 CEBDMN O=C([O-])C[N@@H+](Cc1cccnc1[N+](=O)[O-])C1CCCCC1 ZINC000903600899 635170435 /nfs/dbraw/zinc/17/04/35/635170435.db2.gz IFIQNAUGBGBGST-UHFFFAOYSA-N 0 1 293.323 2.209 20 5 CEBDMN O=C([O-])c1ccc([N+](=O)[O-])c(C[N@H+]2CC[C@@H](CF)C2)c1 ZINC000903610772 635189883 /nfs/dbraw/zinc/18/98/83/635189883.db2.gz GGFYBLUGXSGBGZ-VIFPVBQESA-N 0 1 282.271 2.084 20 5 CEBDMN C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cc3ccccc32)CCN1 ZINC000876530498 650307180 /nfs/dbraw/zinc/30/71/80/650307180.db2.gz SXJDCMUATWJWHM-NSHDSACASA-N 0 1 299.330 2.182 20 5 CEBDMN C[S@](=O)CCN1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000831538594 637366075 /nfs/dbraw/zinc/36/60/75/637366075.db2.gz GIQSACSTJQXJDF-RBZFPXEDSA-N 0 1 296.392 2.153 20 5 CEBDMN CS[C@H](C)CCOC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000835666195 638344385 /nfs/dbraw/zinc/34/43/85/638344385.db2.gz PFJSABQEZXEWQA-SSDOTTSWSA-N 0 1 258.299 2.221 20 5 CEBDMN CCc1[nH]nc(C(=O)N2CC=CC23CCCC3)c1[N+](=O)[O-] ZINC000913201470 639220772 /nfs/dbraw/zinc/22/07/72/639220772.db2.gz QZAFZSYPEQYHDD-UHFFFAOYSA-N 0 1 290.323 2.205 20 5 CEBDMN Cc1nn(CN(C)CC2CCCC2)c(C)c1[N+](=O)[O-] ZINC000058207574 639495159 /nfs/dbraw/zinc/49/51/59/639495159.db2.gz CPODKIMVXUTFTH-UHFFFAOYSA-N 0 1 266.345 2.488 20 5 CEBDMN O=C(OCc1ncc(Cl)cc1Cl)[C@@H]1CC1[N+](=O)[O-] ZINC000840670312 639520985 /nfs/dbraw/zinc/52/09/85/639520985.db2.gz RWJCURIZCSQSSR-HZGVNTEJSA-N 0 1 291.090 2.097 20 5 CEBDMN C[C@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])c1cc(F)ccc1F ZINC000840672279 639521713 /nfs/dbraw/zinc/52/17/13/639521713.db2.gz HJMWHBVYCPCUJP-PTHKFVFGSA-N 0 1 271.219 2.234 20 5 CEBDMN CC(C)COc1ccc(COC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC000841073280 639643965 /nfs/dbraw/zinc/64/39/65/639643965.db2.gz MZGZMHYVAZPMPE-ZIAGYGMSSA-N 0 1 293.319 2.430 20 5 CEBDMN Cc1cccc2c1OCC[C@H]2OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000841197901 639705143 /nfs/dbraw/zinc/70/51/43/639705143.db2.gz XKQQMCNDCLMKGO-IJLUTSLNSA-N 0 1 277.276 2.027 20 5 CEBDMN CC[C@@H](C)CN(C)Cn1nc(C)c([N+](=O)[O-])c1C ZINC000171890319 639736549 /nfs/dbraw/zinc/73/65/49/639736549.db2.gz AOCBXJNMZINJFG-SECBINFHSA-N 0 1 254.334 2.344 20 5 CEBDMN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])[C@@H]1CCC[C@@H]1C(C)(C)C ZINC000841451988 639766062 /nfs/dbraw/zinc/76/60/62/639766062.db2.gz CHZGOFOHZYXSJV-WRWGMCAJSA-N 0 1 268.357 2.325 20 5 CEBDMN Cc1nn(CN2C[C@H](C)[C@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000841693781 639839732 /nfs/dbraw/zinc/83/97/32/639839732.db2.gz VMRSJMFIABNIRV-ATZCPNFKSA-N 0 1 252.318 2.034 20 5 CEBDMN COC(OC)[C@H](C)NCc1cccc([N+](=O)[O-])c1C ZINC000231884297 639881773 /nfs/dbraw/zinc/88/17/73/639881773.db2.gz UJGGUIPRNWNDMX-JTQLQIEISA-N 0 1 268.313 2.000 20 5 CEBDMN O=[N+]([O-])c1cccc(OCCN2C[C@H]3[C@@H](C2)C3(F)F)c1 ZINC000844454779 640734135 /nfs/dbraw/zinc/73/41/35/640734135.db2.gz UUOUBPXGOKRRRH-TXEJJXNPSA-N 0 1 284.262 2.171 20 5 CEBDMN C[C@H]1CN(Cn2nccc2[N+](=O)[O-])CCc2ccccc21 ZINC000844742189 640822731 /nfs/dbraw/zinc/82/27/31/640822731.db2.gz NDSLRRDUUYWXPM-LBPRGKRZSA-N 0 1 286.335 2.411 20 5 CEBDMN O=C(OCCOC1CCCCC1)c1ccc([N+](=O)[O-])[nH]1 ZINC000918520336 640968142 /nfs/dbraw/zinc/96/81/42/640968142.db2.gz VZGMGDIWOPUVNY-UHFFFAOYSA-N 0 1 282.296 2.429 20 5 CEBDMN CCN1C[C@@H](CN[C@H](C)c2cccc([N+](=O)[O-])c2)OC1=O ZINC000846845422 641450699 /nfs/dbraw/zinc/45/06/99/641450699.db2.gz OAQGWGTVKITQBA-ZWNOBZJWSA-N 0 1 293.323 2.086 20 5 CEBDMN CCN(CC1CC1)Cn1nc(C)c([N+](=O)[O-])c1C ZINC000069797131 641597103 /nfs/dbraw/zinc/59/71/03/641597103.db2.gz VZUOALVQRHNXDF-UHFFFAOYSA-N 0 1 252.318 2.098 20 5 CEBDMN Cn1c(Cl)ncc1CNCc1ccc([N+](=O)[O-])cc1 ZINC000848531007 642037832 /nfs/dbraw/zinc/03/78/32/642037832.db2.gz MFRGMEUUCWSTQC-UHFFFAOYSA-N 0 1 280.715 2.272 20 5 CEBDMN CC(C)[C@@H](C(=O)OCC(C)(C)[N+](=O)[O-])N1CCCCC1 ZINC000851128024 642928622 /nfs/dbraw/zinc/92/86/22/642928622.db2.gz FHIQDDWYWXYECS-LBPRGKRZSA-N 0 1 286.372 2.095 20 5 CEBDMN O=C(OC[C@@H]1CCC1(F)F)c1ccc([N+](=O)[O-])[nH]1 ZINC000851312039 642978198 /nfs/dbraw/zinc/97/81/98/642978198.db2.gz FENFFXXVZWHNJV-LURJTMIESA-N 0 1 260.196 2.125 20 5 CEBDMN CN(CC1CN(C)C1)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000853825176 643911608 /nfs/dbraw/zinc/91/16/08/643911608.db2.gz ZAYCSBNTAZMUBE-UHFFFAOYSA-N 0 1 287.722 2.385 20 5 CEBDMN CON(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])[C@H](C)c1ccccc1C ZINC000854524693 644080327 /nfs/dbraw/zinc/08/03/27/644080327.db2.gz WTASHAXQJLDUNT-RAIGVLPGSA-N 0 1 278.308 2.111 20 5 CEBDMN Cc1c(CN2C[C@@H](O)CC(C)(C)C2)cccc1[N+](=O)[O-] ZINC000877752465 650895596 /nfs/dbraw/zinc/89/55/96/650895596.db2.gz RPOJTUCSMOUJJM-ZDUSSCGKSA-N 0 1 278.352 2.496 20 5 CEBDMN CC(C)c1ccc2c(c1)CN(C(=O)[C@@H]1CC1[N+](=O)[O-])CC2 ZINC000855379031 644323183 /nfs/dbraw/zinc/32/31/83/644323183.db2.gz JKEMLXGCFZQJJO-HUUCEWRRSA-N 0 1 288.347 2.360 20 5 CEBDMN CC(C)(O)[C@@H]1CCC[N@@H+](Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000877796974 650913637 /nfs/dbraw/zinc/91/36/37/650913637.db2.gz OJKMHQPYRPFBRC-GFCCVEGCSA-N 0 1 294.351 2.283 20 5 CEBDMN CC(C)(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccccc1 ZINC000839574860 644746822 /nfs/dbraw/zinc/74/68/22/644746822.db2.gz PBJFWFAQVBMGAF-CHWSQXEVSA-N 0 1 276.336 2.136 20 5 CEBDMN CC[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839686278 644772913 /nfs/dbraw/zinc/77/29/13/644772913.db2.gz WGNAIXWAASKZAQ-YNEHKIRRSA-N 0 1 296.754 2.443 20 5 CEBDMN CCC[C@H]1[C@H](C)CCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839692865 644775060 /nfs/dbraw/zinc/77/50/60/644775060.db2.gz YBVWBNFASNUGDF-WISYIIOYSA-N 0 1 254.330 2.079 20 5 CEBDMN COc1ccc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1OC(C)C ZINC000839725621 644793147 /nfs/dbraw/zinc/79/31/47/644793147.db2.gz HVYPMUQVDIXTPF-GHMZBOCLSA-N 0 1 294.307 2.086 20 5 CEBDMN Cc1ccc([C@@H]2C[C@@H](C)N(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)cc1 ZINC000839748290 644804563 /nfs/dbraw/zinc/80/45/63/644804563.db2.gz ZBPQHFMOTCAVRP-NMFUWQPSSA-N 0 1 288.347 2.365 20 5 CEBDMN CCCc1[nH]nc(C(=O)N(OC)C2CCCC2)c1[N+](=O)[O-] ZINC000757622260 644825088 /nfs/dbraw/zinc/82/50/88/644825088.db2.gz VBIXCERTJILCFI-UHFFFAOYSA-N 0 1 296.327 2.217 20 5 CEBDMN CCN(CCC1CC1)Cn1nc(C)c([N+](=O)[O-])c1C ZINC000760538819 645169654 /nfs/dbraw/zinc/16/96/54/645169654.db2.gz OXGORTCAVLNMNY-UHFFFAOYSA-N 0 1 266.345 2.488 20 5 CEBDMN Cc1cc(COC(=O)c2ccc([N+](=O)[O-])[nH]2)ns1 ZINC000774787638 646895160 /nfs/dbraw/zinc/89/51/60/646895160.db2.gz GBSONPJZWJEFIR-UHFFFAOYSA-N 0 1 267.266 2.045 20 5 CEBDMN CC[C@H]1C[C@@H](C)CN1Cn1cc([N+](=O)[O-])c(C)n1 ZINC000779863399 647366390 /nfs/dbraw/zinc/36/63/90/647366390.db2.gz OQJKOONOFXUGGX-KOLCDFICSA-N 0 1 252.318 2.178 20 5 CEBDMN Cc1nn(CN(CC2CC2)CC2CC2)cc1[N+](=O)[O-] ZINC000779861222 647366660 /nfs/dbraw/zinc/36/66/60/647366660.db2.gz RCMYMMSETWYZAU-UHFFFAOYSA-N 0 1 264.329 2.179 20 5 CEBDMN Cc1cc(N2C[C@@H]3C[C@]3(CO)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000782404099 647623022 /nfs/dbraw/zinc/62/30/22/647623022.db2.gz TWOAFEODUUJFSC-MEDUHNTESA-N 0 1 299.330 2.270 20 5 CEBDMN C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])NCc1ncccn1 ZINC000866394071 647771353 /nfs/dbraw/zinc/77/13/53/647771353.db2.gz SPHFAXPSJWWDBC-SNVBAGLBSA-N 0 1 290.298 2.245 20 5 CEBDMN CCC[C@H](CC)NC(=O)[C@@](C)(N)c1cccc([N+](=O)[O-])c1 ZINC000867943503 647996042 /nfs/dbraw/zinc/99/60/42/647996042.db2.gz XLGARVIFPWTFBI-WFASDCNBSA-N 0 1 293.367 2.464 20 5 CEBDMN C[C@H]1C[C@@H](c2ccc(F)cc2)CN1CC[N+](=O)[O-] ZINC000791052941 648476061 /nfs/dbraw/zinc/47/60/61/648476061.db2.gz PTLYRWMCGBEUGN-CMPLNLGQSA-N 0 1 252.289 2.280 20 5 CEBDMN O=[N+]([O-])CCN(CCCO)[C@@H]1CCCc2ccccc21 ZINC000791051978 648476337 /nfs/dbraw/zinc/47/63/37/648476337.db2.gz IZYPUHSUUPBLKN-OAHLLOKOSA-N 0 1 278.352 2.025 20 5 CEBDMN CCO[C@H]1CCC[C@@H](OC(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000873602519 649708194 /nfs/dbraw/zinc/70/81/94/649708194.db2.gz ZUCINCLFDVNGHY-VHSXEESVSA-N 0 1 282.296 2.427 20 5 CEBDMN Cc1noc(CN2CC[C@@H]3CSC[C@@H]3C2)c1[N+](=O)[O-] ZINC000879564764 651322551 /nfs/dbraw/zinc/32/25/51/651322551.db2.gz LNUFMVPAOMNXBK-ZJUUUORDSA-N 0 1 283.353 2.076 20 5 CEBDMN O=[N+]([O-])c1ccccc1OCCN1CCC(F)CC1 ZINC000880242812 651407888 /nfs/dbraw/zinc/40/78/88/651407888.db2.gz LZPIMFWIRCFCLI-UHFFFAOYSA-N 0 1 268.288 2.408 20 5 CEBDMN O=[N+]([O-])c1cnc(N2CCN(C3CCCC3)CC2)c(F)c1 ZINC000408472292 721855432 /nfs/dbraw/zinc/85/54/32/721855432.db2.gz UTAVRGHTEUYBBS-UHFFFAOYSA-N 0 1 294.330 2.194 20 5 CEBDMN C[C@@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C[C@H]1CC(=O)[O-] ZINC000722609087 802373951 /nfs/dbraw/zinc/37/39/51/802373951.db2.gz JTOBCYSDTIUBQZ-ZYHUDNBSSA-N 0 1 278.308 2.137 20 5 CEBDMN CCCC(=O)NCC1(NCc2cccc([N+](=O)[O-])c2)CC1 ZINC001269362213 805142012 /nfs/dbraw/zinc/14/20/12/805142012.db2.gz UVQJGVZDCFZEAR-UHFFFAOYSA-N 0 1 291.351 2.133 20 5 CEBDMN CC(C)(NC(=O)CN1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC001119101659 815070023 /nfs/dbraw/zinc/07/00/23/815070023.db2.gz FVCIOHNAHSJBBN-UHFFFAOYSA-N 0 1 291.351 2.042 20 5 CEBDMN C[C@@H]1CC[C@@H](NC(=O)[C@@](C)(N)c2cccc([N+](=O)[O-])c2)C1 ZINC001119326594 815092324 /nfs/dbraw/zinc/09/23/24/815092324.db2.gz XNEVLKFLWKIBEO-HCKVZZMMSA-N 0 1 291.351 2.074 20 5 CEBDMN NCc1nccnc1Nc1cc2cc[nH]c2c([N+](=O)[O-])c1 ZINC001171447799 815129900 /nfs/dbraw/zinc/12/99/00/815129900.db2.gz OEEOZJBPKKTLHN-UHFFFAOYSA-N 0 1 284.279 2.068 20 5 CEBDMN Cc1nn(CN(CC2CC2)C(C)C)c(C)c1[N+](=O)[O-] ZINC000915207856 807761127 /nfs/dbraw/zinc/76/11/27/807761127.db2.gz HHQCZXJRNRWJRC-UHFFFAOYSA-N 0 1 266.345 2.486 20 5 CEBDMN O=C(CCC1CC1)NCCNCc1csc([N+](=O)[O-])c1 ZINC001125020304 808319989 /nfs/dbraw/zinc/31/99/89/808319989.db2.gz UHOJWQYCCFCFEO-UHFFFAOYSA-N 0 1 297.380 2.052 20 5 CEBDMN CC[C@@]1(O)CCCN(Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000710630324 810002072 /nfs/dbraw/zinc/00/20/72/810002072.db2.gz AGNZILQBGIIHCV-CQSZACIVSA-N 0 1 282.315 2.471 20 5 CEBDMN CCN1CC[C@@H]1CNC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000712338203 811197891 /nfs/dbraw/zinc/19/78/91/811197891.db2.gz UDQOLFPANMPVFG-SNVBAGLBSA-N 0 1 297.742 2.072 20 5 CEBDMN CCOC(=O)[C@H]1C[C@H](C)CCN1[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169035159 811346206 /nfs/dbraw/zinc/34/62/06/811346206.db2.gz ATUWXBCVUAYGJR-YIYPIFLZSA-N 0 1 298.383 2.095 20 5 CEBDMN O=[N+]([O-])C[C@@H]1CC[C@H](N2CCC[C@@H]2c2ncccn2)C1 ZINC001169050638 811356097 /nfs/dbraw/zinc/35/60/97/811356097.db2.gz CBYXWAUOBAADDG-FRRDWIJNSA-N 0 1 276.340 2.059 20 5 CEBDMN O=[N+]([O-])c1cc(NC[C@@H]2COCCN2)cc2ccccc21 ZINC001170047725 812003767 /nfs/dbraw/zinc/00/37/67/812003767.db2.gz RETAFQHRZJEIAM-CYBMUJFWSA-N 0 1 287.319 2.148 20 5 CEBDMN CCN1CCN(c2ncc([N+](=O)[O-])cc2F)C(C)(C)C1 ZINC001158563030 812809724 /nfs/dbraw/zinc/80/97/24/812809724.db2.gz SLOZGBAZUZLXPE-UHFFFAOYSA-N 0 1 282.319 2.049 20 5 CEBDMN CC[C@](N)(CO)Nc1c(Cl)cc(C)cc1[N+](=O)[O-] ZINC001170870997 813567822 /nfs/dbraw/zinc/56/78/22/813567822.db2.gz WXYBWRNSFGGYLC-LLVKDONJSA-N 0 1 273.720 2.026 20 5 CEBDMN Cc1ccc(N2CCc3cn[nH]c3C2)c([N+](=O)[O-])c1 ZINC000754063212 814114530 /nfs/dbraw/zinc/11/45/30/814114530.db2.gz BRQAFPDYVJVHHJ-UHFFFAOYSA-N 0 1 258.281 2.189 20 5 CEBDMN CCN1CCN(c2cc(OC)cc(F)c2[N+](=O)[O-])C[C@@H]1C ZINC000754078812 814117798 /nfs/dbraw/zinc/11/77/98/814117798.db2.gz APWDFMFJIKHUKQ-JTQLQIEISA-N 0 1 297.330 2.273 20 5 CEBDMN CN(Cc1cnc[nH]1)C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC001147072861 814379693 /nfs/dbraw/zinc/37/96/93/814379693.db2.gz RQHYBBNKFZRMDW-UHFFFAOYSA-N 0 1 299.290 2.071 20 5 CEBDMN CC[C@@H](C(=O)Nc1cc(C)cc([N+](=O)[O-])c1)N(C)C ZINC001124044328 815591473 /nfs/dbraw/zinc/59/14/73/815591473.db2.gz RXVQZTWNAKKOOV-LBPRGKRZSA-N 0 1 265.313 2.182 20 5 CEBDMN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CCn2cncc2C1 ZINC001173234004 815632727 /nfs/dbraw/zinc/63/27/27/815632727.db2.gz NVNLCGWOZSVHQU-GFCCVEGCSA-N 0 1 286.335 2.238 20 5 CEBDMN CC[C@H](C)[N@@H+](CC(=O)[O-])Cc1cccc([N+](=O)[O-])c1 ZINC000037598767 361909307 /nfs/dbraw/zinc/90/93/07/361909307.db2.gz FJLOYPJQRQCHQA-JTQLQIEISA-N 0 1 266.297 2.280 20 5 CEBDMN O=C([O-])CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000037654498 361919261 /nfs/dbraw/zinc/91/92/61/361919261.db2.gz BWBALNFQRMNQER-UHFFFAOYSA-N 0 1 264.281 2.034 20 5 CEBDMN O=C(N[C@@H]1CCCC12CC2)c1cc(O)cc([N+](=O)[O-])c1 ZINC000601703936 346882366 /nfs/dbraw/zinc/88/23/66/346882366.db2.gz HEERCHZSDILRFM-GFCCVEGCSA-N 0 1 276.292 2.363 20 5 CEBDMN Cc1cc(CNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)n[nH]1 ZINC000611196074 539190246 /nfs/dbraw/zinc/19/02/46/539190246.db2.gz GIZKFEWIMQTLCF-UHFFFAOYSA-N 0 1 299.290 2.038 20 5 CEBDMN C[C@H]1CCC2=NN(c3ccc([N+](=O)[O-])cn3)C(=O)[C@@H]2C1 ZINC000601931458 346929492 /nfs/dbraw/zinc/92/94/92/346929492.db2.gz FKAXGAFVSMEICN-WCBMZHEXSA-N 0 1 274.280 2.129 20 5 CEBDMN Cc1[nH]n(-c2ccc([N+](=O)[O-])cc2F)c(=O)c1C ZINC000601942232 346935011 /nfs/dbraw/zinc/93/50/11/346935011.db2.gz IVMMLJKLUCAFKW-LURJTMIESA-N 0 1 251.217 2.093 20 5 CEBDMN Cc1cc([N+](=O)[O-])ccc1-n1[nH]c2c(c1=O)CSCC2 ZINC000601942210 346935062 /nfs/dbraw/zinc/93/50/62/346935062.db2.gz IAKPJHCIJYVGGA-JTQLQIEISA-N 0 1 291.332 2.359 20 5 CEBDMN CCc1cc(=O)n(-c2ccc([N+](=O)[O-])cc2F)[nH]1 ZINC000601943554 346935779 /nfs/dbraw/zinc/93/57/79/346935779.db2.gz RJGQUDIBUQRPAW-UHFFFAOYSA-N 0 1 251.217 2.237 20 5 CEBDMN CC(C)CN(C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000065962005 343705067 /nfs/dbraw/zinc/70/50/67/343705067.db2.gz OSDCQNOWDPICFU-UHFFFAOYSA-N 0 1 291.351 2.072 20 5 CEBDMN Cc1ccc(CN2CCC([C@H](C)O)CC2)cc1[N+](=O)[O-] ZINC000092969753 344208517 /nfs/dbraw/zinc/20/85/17/344208517.db2.gz WMSWIVKIPXBCEA-LBPRGKRZSA-N 0 1 278.352 2.496 20 5 CEBDMN CN(Cc1cc([O-])ccc1[N+](=O)[O-])C[C@@H]1CCC[N@@H+](C)C1 ZINC000092253368 344181738 /nfs/dbraw/zinc/18/17/38/344181738.db2.gz HOZFQPMPXVZIRK-GFCCVEGCSA-N 0 1 293.367 2.074 20 5 CEBDMN CN(Cc1cc([O-])ccc1[N+](=O)[O-])C[C@H]1CCC[N@@H+](C)C1 ZINC000092253367 344181821 /nfs/dbraw/zinc/18/18/21/344181821.db2.gz HOZFQPMPXVZIRK-LBPRGKRZSA-N 0 1 293.367 2.074 20 5 CEBDMN CCC1(C)CCN(Cc2cn(C)nc2[N+](=O)[O-])CC1 ZINC000602465481 347044347 /nfs/dbraw/zinc/04/43/47/347044347.db2.gz QSYRAPYZRBTHRK-UHFFFAOYSA-N 0 1 266.345 2.340 20 5 CEBDMN CC1(C)[C@@H](O)C[C@@H]1NCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000128448607 344336465 /nfs/dbraw/zinc/33/64/65/344336465.db2.gz VEIDERGUZLOLQW-RYUDHWBXSA-N 0 1 284.743 2.497 20 5 CEBDMN C[C@H](NCCc1ccccc1[N+](=O)[O-])c1ncc[nH]1 ZINC000285939576 344678992 /nfs/dbraw/zinc/67/89/92/344678992.db2.gz FQVKRWUMXLHVBU-JTQLQIEISA-N 0 1 260.297 2.211 20 5 CEBDMN COc1ccc(CN2CCC[C@H](CO)CC2)cc1[N+](=O)[O-] ZINC000293346442 344691900 /nfs/dbraw/zinc/69/19/00/344691900.db2.gz YZHRGUUKONXZLP-LBPRGKRZSA-N 0 1 294.351 2.198 20 5 CEBDMN Cc1sc(C(=O)N2CCNC[C@H]2C(C)C)cc1[N+](=O)[O-] ZINC000602525539 347066866 /nfs/dbraw/zinc/06/68/66/347066866.db2.gz CQZRTAODHFNAKQ-NSHDSACASA-N 0 1 297.380 2.035 20 5 CEBDMN C[C@@H]1C[C@@H](O)CN(C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000449764921 282359594 /nfs/dbraw/zinc/35/95/94/282359594.db2.gz FJBBYWGDMWRTST-FAQJLRJSSA-N 0 1 276.336 2.311 20 5 CEBDMN COC(=O)c1ccc([N+](=O)[O-])c(CN2CCC[C@H]2C)c1 ZINC000589498130 345084438 /nfs/dbraw/zinc/08/44/38/345084438.db2.gz OCQXMJZCWNUUEY-SNVBAGLBSA-N 0 1 278.308 2.366 20 5 CEBDMN CC(C)(C)[C@H](O)CN1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000588963748 345062723 /nfs/dbraw/zinc/06/27/23/345062723.db2.gz ODKUKTRPHMFGDE-CQSZACIVSA-N 0 1 278.352 2.360 20 5 CEBDMN O=[N+]([O-])c1ccc2[nH]c(Nc3cnn(CC4CC4)c3)nc2c1 ZINC000590692337 345161685 /nfs/dbraw/zinc/16/16/85/345161685.db2.gz VFGAAPGTHXXLMK-UHFFFAOYSA-N 0 1 298.306 2.243 20 5 CEBDMN CC1(C)CN(Cc2ccc([N+](=O)[O-])cc2)[C@@H]2COC[C@@H]21 ZINC000590663655 345157341 /nfs/dbraw/zinc/15/73/41/345157341.db2.gz NKFYSDCRXLRHCQ-UONOGXRCSA-N 0 1 276.336 2.452 20 5 CEBDMN C[C@@H]1[C@H](C)N(C(=O)c2csc([N+](=O)[O-])c2)[C@@H](C)CN1C ZINC000593187903 345451098 /nfs/dbraw/zinc/45/10/98/345451098.db2.gz VVZYKIXEYKIBNQ-AEJSXWLSSA-N 0 1 297.380 2.209 20 5 CEBDMN O=[N+]([O-])c1ccc(CN[C@H](CO)CCF)c(Cl)c1 ZINC000593685485 345520713 /nfs/dbraw/zinc/52/07/13/345520713.db2.gz IKEKDOGVZLUWLP-VIFPVBQESA-N 0 1 276.695 2.058 20 5 CEBDMN CC(C)[N@@H+](CCOc1cccc([N+](=O)[O-])c1)CCC(=O)[O-] ZINC000593746639 345531492 /nfs/dbraw/zinc/53/14/92/345531492.db2.gz OBFXEWGXLAEKRG-UHFFFAOYSA-N 0 1 296.323 2.159 20 5 CEBDMN COCC(C)(C)NCc1ccc(F)cc1[N+](=O)[O-] ZINC000595307011 345759448 /nfs/dbraw/zinc/75/94/48/345759448.db2.gz QZHVPKYSBQDNQW-UHFFFAOYSA-N 0 1 256.277 2.249 20 5 CEBDMN O=[N+]([O-])c1ccc(CN[C@H]2CCCn3nccc32)cc1 ZINC000595014345 345726583 /nfs/dbraw/zinc/72/65/83/345726583.db2.gz OQCZXOSGJRWBNB-ZDUSSCGKSA-N 0 1 272.308 2.416 20 5 CEBDMN C[C@@H]1[C@H](CO)CCCN1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595539949 345806963 /nfs/dbraw/zinc/80/69/63/345806963.db2.gz FJCDIGPNRXQLNF-PWSUYJOCSA-N 0 1 282.315 2.327 20 5 CEBDMN C[C@H]1C[C@@H](CO)CN(Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595553544 345811659 /nfs/dbraw/zinc/81/16/59/345811659.db2.gz XQNHXLHGDHYVSB-WDEREUQCSA-N 0 1 282.315 2.184 20 5 CEBDMN O=C(NCc1ccc([N+](=O)[O-])cc1)c1cccc2nc[nH]c21 ZINC000157904171 232242244 /nfs/dbraw/zinc/24/22/44/232242244.db2.gz VATFPQMCDDDYLD-UHFFFAOYSA-N 0 1 296.286 2.401 20 5 CEBDMN C[C@@H](Cn1cccn1)NCc1ccc(F)cc1[N+](=O)[O-] ZINC000595313117 345760857 /nfs/dbraw/zinc/76/08/57/345760857.db2.gz WLOAXLQLFLJMPN-JTQLQIEISA-N 0 1 278.287 2.109 20 5 CEBDMN CN(Cc1ccc(F)cc1[N+](=O)[O-])C[C@@H]1CCC[C@@H]1O ZINC000595387224 345772607 /nfs/dbraw/zinc/77/26/07/345772607.db2.gz BYGIPVNAABKTJI-FZMZJTMJSA-N 0 1 282.315 2.327 20 5 CEBDMN Cc1noc(CN([C@@H](C)CO)C2CCCC2)c1[N+](=O)[O-] ZINC000595452014 345785840 /nfs/dbraw/zinc/78/58/40/345785840.db2.gz GFLUELLXKLUXNJ-VIFPVBQESA-N 0 1 283.328 2.017 20 5 CEBDMN O=[N+]([O-])c1cc(F)ccc1CN1CC[C@H](CCCO)C1 ZINC000595521547 345802708 /nfs/dbraw/zinc/80/27/08/345802708.db2.gz DTZDUJUGKXJLKL-NSHDSACASA-N 0 1 282.315 2.328 20 5 CEBDMN Cc1cc(C)c([N+](=O)[O-])c(N2CCCc3[nH]ncc3C2)n1 ZINC000596002997 345922157 /nfs/dbraw/zinc/92/21/57/345922157.db2.gz MZOMDGSTFFQENU-UHFFFAOYSA-N 0 1 287.323 2.283 20 5 CEBDMN CC1(C)OC[C@H]2C[C@]21NCc1ccc([N+](=O)[O-])cc1F ZINC000598988340 346442616 /nfs/dbraw/zinc/44/26/16/346442616.db2.gz OVOUPHJKJFNBRI-YGRLFVJLSA-N 0 1 280.299 2.391 20 5 CEBDMN O=[N+]([O-])c1cccc(CN[C@@H](CO)c2ccccc2)c1 ZINC000062999688 362739470 /nfs/dbraw/zinc/73/94/70/362739470.db2.gz GJTUMPKYGHDKBX-HNNXBMFYSA-N 0 1 272.304 2.418 20 5 CEBDMN CN(Cc1ccc([N+](=O)[O-])cc1F)CC1(C)COC1 ZINC000599571599 346539774 /nfs/dbraw/zinc/53/97/74/346539774.db2.gz NHDVTTHXHNPENN-UHFFFAOYSA-N 0 1 268.288 2.202 20 5 CEBDMN CC(=O)NC[C@@H]1CCCCN1Cc1ccc([N+](=O)[O-])cc1 ZINC000599702365 346572105 /nfs/dbraw/zinc/57/21/05/346572105.db2.gz MPIHYSXNMKJQEG-HNNXBMFYSA-N 0 1 291.351 2.085 20 5 CEBDMN Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H](C(=O)[O-])[C@H](C)C1 ZINC000600800244 346692039 /nfs/dbraw/zinc/69/20/39/346692039.db2.gz JYZMQCJMGPSUDR-BXUZGUMPSA-N 0 1 292.335 2.446 20 5 CEBDMN Cc1[nH]ncc1CN(C)c1sccc1[N+](=O)[O-] ZINC000601181080 346779273 /nfs/dbraw/zinc/77/92/73/346779273.db2.gz FHAVZPZQNVRBFG-UHFFFAOYSA-N 0 1 252.299 2.324 20 5 CEBDMN C[C@@]1(O)CCCN(C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000129428209 365857817 /nfs/dbraw/zinc/85/78/17/365857817.db2.gz LVMGEDHKKIVXSL-NFBGWVBBSA-N 0 1 276.336 2.455 20 5 CEBDMN CC1(C)C[C@H](NCc2nc3cc([N+](=O)[O-])ccc3o2)CO1 ZINC000602704430 347159364 /nfs/dbraw/zinc/15/93/64/347159364.db2.gz DLAJNFJIDXTTGX-VIFPVBQESA-N 0 1 291.307 2.393 20 5 CEBDMN CC(C)(C)OCCN[C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000602962102 347257702 /nfs/dbraw/zinc/25/77/02/347257702.db2.gz GWLUBJDDASTKSX-OAHLLOKOSA-N 0 1 296.367 2.207 20 5 CEBDMN C[C@H](c1cccc([N+](=O)[O-])c1)n1cc(CNC2CC2)nn1 ZINC000603186977 347303305 /nfs/dbraw/zinc/30/33/05/347303305.db2.gz YKASQKIFRZIATD-SNVBAGLBSA-N 0 1 287.323 2.048 20 5 CEBDMN CC(C)[C@@H](C)NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000128555009 187377511 /nfs/dbraw/zinc/37/75/11/187377511.db2.gz PJIVLFFTDKGACF-MRVPVSSYSA-N 0 1 290.316 2.057 20 5 CEBDMN Cc1cc(CNC(=O)Nc2cccc([N+](=O)[O-])c2C)n[nH]1 ZINC000609600485 347645633 /nfs/dbraw/zinc/64/56/33/347645633.db2.gz KGAFAAYMHHCXIB-UHFFFAOYSA-N 0 1 289.295 2.256 20 5 CEBDMN CCOc1ccc([N+](=O)[O-])cc1CN(CCCO)C1CC1 ZINC000610476413 347683404 /nfs/dbraw/zinc/68/34/04/347683404.db2.gz UPRXMMFNQANSHP-UHFFFAOYSA-N 0 1 294.351 2.340 20 5 CEBDMN CN(Cc1ccc(Cl)cc1[N+](=O)[O-])C[C@H](O)C1CC1 ZINC000610571746 347692830 /nfs/dbraw/zinc/69/28/30/347692830.db2.gz GMCQQGMATCXNCC-ZDUSSCGKSA-N 0 1 284.743 2.451 20 5 CEBDMN C[C@H](NC(=O)[C@H]1CCCCN1C)c1ccccc1[N+](=O)[O-] ZINC000611408112 347774528 /nfs/dbraw/zinc/77/45/28/347774528.db2.gz QXYGZKIREHKFGO-SMDDNHRTSA-N 0 1 291.351 2.256 20 5 CEBDMN COCC1(N(C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000611178719 347748541 /nfs/dbraw/zinc/74/85/41/347748541.db2.gz KNTKTMIUGUEPKI-UHFFFAOYSA-N 0 1 250.298 2.206 20 5 CEBDMN CC1(C)OCC[C@H]1NCc1csc([N+](=O)[O-])c1 ZINC000336885525 365932793 /nfs/dbraw/zinc/93/27/93/365932793.db2.gz AUDLKAAOZFWGKT-SECBINFHSA-N 0 1 256.327 2.313 20 5 CEBDMN C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@](C)(C(=O)[O-])C1 ZINC000086780091 179329811 /nfs/dbraw/zinc/32/98/11/179329811.db2.gz QDSDIQJAWRKWQH-IINYFYTJSA-N 0 1 278.308 2.452 20 5 CEBDMN C[C@H](CCN1CCN(C)CC1)Nc1ccc([N+](=O)[O-])s1 ZINC000613704740 348094001 /nfs/dbraw/zinc/09/40/01/348094001.db2.gz POTXAJUEUXXBNH-LLVKDONJSA-N 0 1 298.412 2.094 20 5 CEBDMN C[C@H](c1cccc([N+](=O)[O-])c1)N(C)CCn1cccn1 ZINC000066411603 362863683 /nfs/dbraw/zinc/86/36/83/362863683.db2.gz NMCIEFIEQQKJIV-GFCCVEGCSA-N 0 1 274.324 2.484 20 5 CEBDMN Cc1cc([N+](=O)[O-])ccc1CNC[C@@](C)(O)C(F)(F)F ZINC000273411270 192141361 /nfs/dbraw/zinc/14/13/61/192141361.db2.gz OLUSABDKZWOBCU-LLVKDONJSA-N 0 1 292.257 2.306 20 5 CEBDMN CC(C)[C@@H]1CN(c2sccc2[N+](=O)[O-])CCN1C ZINC000616999929 348604193 /nfs/dbraw/zinc/60/41/93/348604193.db2.gz NGSUVSNBCNLBTN-NSHDSACASA-N 0 1 269.370 2.433 20 5 CEBDMN Cc1cc(CNC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000617729072 348774740 /nfs/dbraw/zinc/77/47/40/348774740.db2.gz QSVKEZHWKOCMAC-JTQLQIEISA-N 0 1 288.307 2.046 20 5 CEBDMN NC(=O)C[C@H](NCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000339533718 215232623 /nfs/dbraw/zinc/23/26/23/215232623.db2.gz BGXSNSTYFVVFCF-HNNXBMFYSA-N 0 1 299.330 2.301 20 5 CEBDMN COC1(CO)CCN([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000618551335 348973797 /nfs/dbraw/zinc/97/37/97/348973797.db2.gz WKOJYSFXFQWSFV-GFCCVEGCSA-N 0 1 294.351 2.129 20 5 CEBDMN CC[C@@H]1CN(C)CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000619567058 349199946 /nfs/dbraw/zinc/19/99/46/349199946.db2.gz MFCDQDCIJSMPRT-SNVBAGLBSA-N 0 1 297.380 2.213 20 5 CEBDMN CC(C)[C@H](C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)N(C)C ZINC000352178403 219346739 /nfs/dbraw/zinc/34/67/39/219346739.db2.gz MQQRDBDLFIDUCG-GFCCVEGCSA-N 0 1 283.303 2.259 20 5 CEBDMN CCN(Cc1ccc(Cl)cc1[N+](=O)[O-])C[C@H](C)O ZINC000352222684 219370650 /nfs/dbraw/zinc/37/06/50/219370650.db2.gz SBGJOYDCEAJJHT-VIFPVBQESA-N 0 1 272.732 2.451 20 5 CEBDMN COc1cc([N+](=O)[O-])ccc1CN1CCC[C@@H]([C@H](C)O)C1 ZINC000569062878 299176277 /nfs/dbraw/zinc/17/62/77/299176277.db2.gz WYYFCCMNBFDADA-NWDGAFQWSA-N 0 1 294.351 2.196 20 5 CEBDMN CCCNC(=O)CN[C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000158327041 188370177 /nfs/dbraw/zinc/37/01/77/188370177.db2.gz QXGOZJLEDUSDQV-NSHDSACASA-N 0 1 279.340 2.080 20 5 CEBDMN CC[C@@H](C)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000293024320 198498215 /nfs/dbraw/zinc/49/82/15/198498215.db2.gz FRUFOXSJTMOCKF-GFCCVEGCSA-N 0 1 291.351 2.151 20 5 CEBDMN C[C@@H]1C[N@@H+](Cc2csc([N+](=O)[O-])c2)C[C@@]1(C)C(=O)[O-] ZINC000569935263 299228255 /nfs/dbraw/zinc/22/82/55/299228255.db2.gz LOMGMLVFQMDMHL-PRHODGIISA-N 0 1 284.337 2.199 20 5 CEBDMN CN1CCN(Cc2csc([N+](=O)[O-])c2)CC1(C)C ZINC000569985935 299231870 /nfs/dbraw/zinc/23/18/70/299231870.db2.gz VFOLSPPEIHBWHK-UHFFFAOYSA-N 0 1 269.370 2.182 20 5 CEBDMN C[C@H]1C[C@H](C(=O)[O-])C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000263389661 291109356 /nfs/dbraw/zinc/10/93/56/291109356.db2.gz YMIHPXZFKXEDRO-AAEUAGOBSA-N 0 1 292.335 2.180 20 5 CEBDMN C[C@@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)C(C)(F)F ZINC000452453215 283291899 /nfs/dbraw/zinc/29/18/99/283291899.db2.gz BYONGCRZJHDKAK-ZCFIWIBFSA-N 0 1 298.249 2.245 20 5 CEBDMN C[C@@]1(C(=O)[O-])CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000079488144 363608151 /nfs/dbraw/zinc/60/81/51/363608151.db2.gz NGZPUOPAOZSZFC-ZDUSSCGKSA-N 0 1 264.281 2.034 20 5 CEBDMN O=[N+]([O-])c1ccc(O)cc1CN1CCO[C@@H]2CCC[C@@H]21 ZINC000338926034 366574083 /nfs/dbraw/zinc/57/40/83/366574083.db2.gz ODMZMQWZONRLEM-UONOGXRCSA-N 0 1 278.308 2.054 20 5 CEBDMN CC[C@@H](N[C@@H](CC)C(=O)NC)c1cccc([N+](=O)[O-])c1 ZINC000453424539 283570294 /nfs/dbraw/zinc/57/02/94/283570294.db2.gz YGNRFIVFFQVGKS-OLZOCXBDSA-N 0 1 279.340 2.160 20 5 CEBDMN Cc1c([C@@H](C)NCC2(C)OCCO2)cccc1[N+](=O)[O-] ZINC000179568176 189202854 /nfs/dbraw/zinc/20/28/54/189202854.db2.gz AWPZONRQCRGOCT-LLVKDONJSA-N 0 1 280.324 2.317 20 5 CEBDMN C[C@]1(O)CCN(C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000180186399 189241888 /nfs/dbraw/zinc/24/18/88/189241888.db2.gz ORMWGPSTEBJTDP-YVZNUBBCSA-N 0 1 262.309 2.065 20 5 CEBDMN CCCCNC(=O)CN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180412816 189254369 /nfs/dbraw/zinc/25/43/69/189254369.db2.gz JFOYIPCDENBKSK-NSHDSACASA-N 0 1 279.340 2.162 20 5 CEBDMN Cc1ccc([C@@H](C)NCC(=O)NCC2CC2)cc1[N+](=O)[O-] ZINC000181827436 189307799 /nfs/dbraw/zinc/30/77/99/189307799.db2.gz HOXGLXHGHXMQAL-LLVKDONJSA-N 0 1 291.351 2.080 20 5 CEBDMN CCCN(CCO)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000093097699 364142067 /nfs/dbraw/zinc/14/20/67/364142067.db2.gz NLFCZAAETHYVIL-UHFFFAOYSA-N 0 1 272.732 2.453 20 5 CEBDMN CCN(Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CC(C)(C)O ZINC000092982115 364128078 /nfs/dbraw/zinc/12/80/78/364128078.db2.gz VQHDGRCQLRNTIZ-UHFFFAOYSA-N 0 1 297.311 2.096 20 5 CEBDMN C[C@H](C(=O)[O-])[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000237422897 370720405 /nfs/dbraw/zinc/72/04/05/370720405.db2.gz QAWPZHCAWYXSRA-SSDOTTSWSA-N 0 1 272.688 2.153 20 5 CEBDMN CSCCCCNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356583149 370763004 /nfs/dbraw/zinc/76/30/04/370763004.db2.gz UTOJWASJYCJZJK-UHFFFAOYSA-N 0 1 284.337 2.173 20 5 CEBDMN CC(C)[C@@H](C)CNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356603951 370770645 /nfs/dbraw/zinc/77/06/45/370770645.db2.gz WCOISTHJJNGJKV-VIFPVBQESA-N 0 1 266.297 2.322 20 5 CEBDMN O=[N+]([O-])c1ccc(CN2CCCC[C@H]2CCO)cc1F ZINC000094774164 364294227 /nfs/dbraw/zinc/29/42/27/364294227.db2.gz KYFUDRUNETWIDP-LBPRGKRZSA-N 0 1 282.315 2.471 20 5 CEBDMN O=C([O-])C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CCC1 ZINC000572134574 299349193 /nfs/dbraw/zinc/34/91/93/299349193.db2.gz BVSHOHLVNIPNKB-UHFFFAOYSA-N 0 1 264.281 2.034 20 5 CEBDMN C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2F)C[C@H](C)N1C ZINC000115110859 364986009 /nfs/dbraw/zinc/98/60/09/364986009.db2.gz XKZHJQTYMZOQDZ-AOOOYVTPSA-N 0 1 267.304 2.263 20 5 CEBDMN C[C@@H](C[NH+](C)C)N[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000582191977 366878371 /nfs/dbraw/zinc/87/83/71/366878371.db2.gz SKCUJASBPYXVOQ-GWCFXTLKSA-N 0 1 263.341 2.122 20 5 CEBDMN Cc1nc(NC[C@H]2CCC[N@H+](C)C2)ccc1[N+](=O)[O-] ZINC000161550126 367095567 /nfs/dbraw/zinc/09/55/67/367095567.db2.gz NMPCICDLTRPELS-LLVKDONJSA-N 0 1 264.329 2.052 20 5 CEBDMN C[C@H](C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)C(=O)[O-] ZINC000583877662 367110330 /nfs/dbraw/zinc/11/03/30/367110330.db2.gz UJMKSGFABYIUNK-SNVBAGLBSA-N 0 1 278.308 2.280 20 5 CEBDMN C[C@H](O)[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000162864039 367197345 /nfs/dbraw/zinc/19/73/45/367197345.db2.gz QXNZPQOZKVCYQA-VHSXEESVSA-N 0 1 284.743 2.451 20 5 CEBDMN Cc1nc2ccc(Cn3c(C)ncc3[N+](=O)[O-])cc2[nH]1 ZINC000342685504 367482706 /nfs/dbraw/zinc/48/27/06/367482706.db2.gz ISGKRLBGXPTNPL-UHFFFAOYSA-N 0 1 271.280 2.333 20 5 CEBDMN CC[C@H](C)n1[nH]c(=NC(=O)c2ccc([N+](=O)[O-])[nH]2)cc1C ZINC000343146157 367685419 /nfs/dbraw/zinc/68/54/19/367685419.db2.gz FAUKOXXEUOYXAB-QMMMGPOBSA-N 0 1 291.311 2.073 20 5 CEBDMN CCc1ccc(C(=O)NCc2cn[nH]c2C)cc1[N+](=O)[O-] ZINC000174133509 367988089 /nfs/dbraw/zinc/98/80/89/367988089.db2.gz DYEVNPSDLHEILO-UHFFFAOYSA-N 0 1 288.307 2.119 20 5 CEBDMN CN1CCCC(C)(C)[C@H]1CNC(=O)c1ccc([N+](=O)[O-])o1 ZINC000344650039 368132094 /nfs/dbraw/zinc/13/20/94/368132094.db2.gz WPWYTZJKTGNMOS-LLVKDONJSA-N 0 1 295.339 2.038 20 5 CEBDMN CC(C)(C(=O)Nc1cccc([N+](=O)[O-])c1)c1cnc[nH]1 ZINC000345637634 368354242 /nfs/dbraw/zinc/35/42/42/368354242.db2.gz IHJXDQNJSIVDHG-UHFFFAOYSA-N 0 1 274.280 2.234 20 5 CEBDMN Cc1cccc2nc(CNC(=O)c3ccc([N+](=O)[O-])[nH]3)[nH]c21 ZINC000345934353 368486008 /nfs/dbraw/zinc/48/60/08/368486008.db2.gz PXHGCFMTHDKXQY-UHFFFAOYSA-N 0 1 299.290 2.038 20 5 CEBDMN CCCN(CC)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000346309864 368630680 /nfs/dbraw/zinc/63/06/80/368630680.db2.gz XQBUJWVUIPSBJX-UHFFFAOYSA-N 0 1 279.340 2.290 20 5 CEBDMN CN(CCn1nccc1[N+](=O)[O-])Cc1ccc(F)cc1 ZINC000185688269 368843229 /nfs/dbraw/zinc/84/32/29/368843229.db2.gz MUYRYBUMSZOZPS-UHFFFAOYSA-N 0 1 278.287 2.062 20 5 CEBDMN CCC[C@@H]1SCCN1C(=O)c1n[nH]c(CC)c1[N+](=O)[O-] ZINC000185664509 368839146 /nfs/dbraw/zinc/83/91/46/368839146.db2.gz TXQJHAQPLMUVMD-VIFPVBQESA-N 0 1 298.368 2.196 20 5 CEBDMN O=[N+]([O-])c1ccn(CCN2Cc3ccccc3C3(CC3)C2)n1 ZINC000186179040 368931530 /nfs/dbraw/zinc/93/15/30/368931530.db2.gz ZDJJJEPLKHBPIQ-UHFFFAOYSA-N 0 1 298.346 2.339 20 5 CEBDMN C[C@@H]1[C@@H](C(F)(F)F)CCN1CCn1cc([N+](=O)[O-])cn1 ZINC000348223335 368955543 /nfs/dbraw/zinc/95/55/43/368955543.db2.gz FFQMSYAHZNHYBT-SCZZXKLOSA-N 0 1 292.261 2.064 20 5 CEBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@@H](C)C(=O)N(C)C ZINC000572783707 299399982 /nfs/dbraw/zinc/39/99/82/299399982.db2.gz UCWPUTKPCZTWMG-MNOVXSKESA-N 0 1 279.340 2.031 20 5 CEBDMN CSC[C@H](O)CN(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000187946761 369258211 /nfs/dbraw/zinc/25/82/11/369258211.db2.gz NXCDXHQVYFKRIJ-CQSZACIVSA-N 0 1 296.392 2.283 20 5 CEBDMN CCc1[nH]nc(C(=O)N(C)C[C@H]2CC=CCC2)c1[N+](=O)[O-] ZINC000330792144 203240622 /nfs/dbraw/zinc/24/06/22/203240622.db2.gz BSDVNMFLAUDRCY-JTQLQIEISA-N 0 1 292.339 2.309 20 5 CEBDMN C/C=C\C[C@@H](CO)NCc1csc([N+](=O)[O-])c1 ZINC000349792921 369402274 /nfs/dbraw/zinc/40/22/74/369402274.db2.gz TUKCFGGSGWPXAH-ZMWSMAPVSA-N 0 1 256.327 2.073 20 5 CEBDMN COCCO[C@@H]1CCN(Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000188820339 369414230 /nfs/dbraw/zinc/41/42/30/369414230.db2.gz YWOZGAGSOBZSLF-CQSZACIVSA-N 0 1 294.351 2.141 20 5 CEBDMN C[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)[C@@H]1CO ZINC000189720078 369564171 /nfs/dbraw/zinc/56/41/71/369564171.db2.gz ZOMLEFKTLYFQBV-NOZJJQNGSA-N 0 1 284.743 2.451 20 5 CEBDMN C[C@@H]1CC(O)C[C@H](C)[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000191279304 369697858 /nfs/dbraw/zinc/69/78/58/369697858.db2.gz JKHSZDWMDWJSRI-ODOQXGPZSA-N 0 1 278.352 2.371 20 5 CEBDMN COC(=O)[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000191785837 369742625 /nfs/dbraw/zinc/74/26/25/369742625.db2.gz MBCNJCBETRROGC-FZMZJTMJSA-N 0 1 292.335 2.226 20 5 CEBDMN CC(C)CN(Cc1c([N+](=O)[O-])ncn1C)C(C)C ZINC000355549159 370596623 /nfs/dbraw/zinc/59/66/23/370596623.db2.gz CVJLXIYGRNUJKO-UHFFFAOYSA-N 0 1 254.334 2.195 20 5 CEBDMN C[C@@H]1C[C@H](C)[C@@H](C)N(Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000355745112 370613470 /nfs/dbraw/zinc/61/34/70/370613470.db2.gz ZWIRYVLKFNXIKG-OUAUKWLOSA-N 0 1 266.345 2.195 20 5 CEBDMN CC(C)N1C[C@H](C)[C@H](NC(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000247503289 371116775 /nfs/dbraw/zinc/11/67/75/371116775.db2.gz XTPJTHKXGDIADT-VHSXEESVSA-N 0 1 297.380 2.115 20 5 CEBDMN Cc1nc2ccc(Cn3ccc(C)c([N+](=O)[O-])c3=O)cc2[nH]1 ZINC000358857497 371249252 /nfs/dbraw/zinc/24/92/52/371249252.db2.gz ZPORZTIVRDHWHI-UHFFFAOYSA-N 0 1 298.302 2.298 20 5 CEBDMN O=[N+]([O-])c1cnccc1[NH+]=C([O-])N1CCc2ccccc21 ZINC000359033437 371308884 /nfs/dbraw/zinc/30/88/84/371308884.db2.gz RRRJZYAATSZGEA-UHFFFAOYSA-N 0 1 284.275 2.006 20 5 CEBDMN COc1ccc(CN2CC[C@H](C)[C@H](OC)C2)cc1[N+](=O)[O-] ZINC000251521900 371405208 /nfs/dbraw/zinc/40/52/08/371405208.db2.gz CTGPPGLXAOKGBO-XHDPSFHLSA-N 0 1 294.351 2.460 20 5 CEBDMN COc1ccc([N+](=O)[O-])cc1CN(C)[C@@H]1CCCC[C@H]1O ZINC000252921160 371490536 /nfs/dbraw/zinc/49/05/36/371490536.db2.gz GSMUMLNYSYZTPM-ZIAGYGMSSA-N 0 1 294.351 2.339 20 5 CEBDMN CCn1c(C)nc([N+](=O)[O-])c1NCC[N@@H+]1CC=C(C)CC1 ZINC000361016291 371599512 /nfs/dbraw/zinc/59/95/12/371599512.db2.gz YNBPCPVUEPPZOQ-UHFFFAOYSA-N 0 1 293.371 2.184 20 5 CEBDMN CCn1c(C)nc([N+](=O)[O-])c1NCCN1CC=C(C)CC1 ZINC000361016291 371599519 /nfs/dbraw/zinc/59/95/19/371599519.db2.gz YNBPCPVUEPPZOQ-UHFFFAOYSA-N 0 1 293.371 2.184 20 5 CEBDMN O=[N+]([O-])c1c(F)cccc1N1CC[C@@H](N2CC=CC2)C1 ZINC000266275159 372042699 /nfs/dbraw/zinc/04/26/99/372042699.db2.gz RVEZZGZUXFHQRH-LLVKDONJSA-N 0 1 277.299 2.184 20 5 CEBDMN CC[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1C)N(C)C ZINC000268726068 372196512 /nfs/dbraw/zinc/19/65/12/372196512.db2.gz JOLQIJLAHVOTDB-LLVKDONJSA-N 0 1 265.313 2.182 20 5 CEBDMN O=C(NCC1CCCC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000269108359 372343468 /nfs/dbraw/zinc/34/34/68/372343468.db2.gz CEKKSXGGFBXHGD-UHFFFAOYSA-N 0 1 264.281 2.220 20 5 CEBDMN Cc1ccc([C@]2(C)CCN(C(=O)[C@H]3CC3[N+](=O)[O-])C2)cc1 ZINC000364314077 372724656 /nfs/dbraw/zinc/72/46/56/372724656.db2.gz KNMNAVAGRUVCOE-SQWLQELKSA-N 0 1 288.347 2.150 20 5 CEBDMN CN(CCO)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000270986592 373049697 /nfs/dbraw/zinc/04/96/97/373049697.db2.gz GIEDAQDKGFNIDQ-UHFFFAOYSA-N 0 1 276.292 2.279 20 5 CEBDMN O=[N+]([O-])c1ccn(C2CCN(C/C=C/Cl)CC2)n1 ZINC000369675240 373486226 /nfs/dbraw/zinc/48/62/26/373486226.db2.gz ADQTZYBZMGZODD-ORCRQEGFSA-N 0 1 270.720 2.181 20 5 CEBDMN CC(C)CSCCNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272667509 373606369 /nfs/dbraw/zinc/60/63/69/373606369.db2.gz JJGCYJOAWBPIDF-UHFFFAOYSA-N 0 1 298.364 2.419 20 5 CEBDMN COc1ccc(CNC2CC(F)(F)C2)cc1[N+](=O)[O-] ZINC000277590338 374573434 /nfs/dbraw/zinc/57/34/34/374573434.db2.gz HPSPBFGGEYWPGX-UHFFFAOYSA-N 0 1 272.251 2.491 20 5 CEBDMN O=[N+]([O-])c1ccccc1-c1noc([C@H]2C[C@H]2c2nc[nH]n2)n1 ZINC000377424172 374853080 /nfs/dbraw/zinc/85/30/80/374853080.db2.gz ZMBQOYAXBHLVKA-BDAKNGLRSA-N 0 1 298.262 2.034 20 5 CEBDMN O=[N+]([O-])c1ccccc1-c1noc([C@@H]2C[C@H]2c2nc[nH]n2)n1 ZINC000377424175 374853115 /nfs/dbraw/zinc/85/31/15/374853115.db2.gz ZMBQOYAXBHLVKA-RKDXNWHRSA-N 0 1 298.262 2.034 20 5 CEBDMN C[C@@H]1CCOCCN1Cc1cccc([N+](=O)[O-])c1 ZINC000378496494 375115647 /nfs/dbraw/zinc/11/56/47/375115647.db2.gz KJBKTWRHHFDFFU-LLVKDONJSA-N 0 1 250.298 2.206 20 5 CEBDMN O=[N+]([O-])c1cccc(N2CCN(CCCCF)CC2)c1 ZINC000285957311 375845701 /nfs/dbraw/zinc/84/57/01/375845701.db2.gz KKMCCRRSYWWJAK-UHFFFAOYSA-N 0 1 281.331 2.467 20 5 CEBDMN COc1cc(CN2CCCC[C@H]2[C@@H](C)O)ccc1[N+](=O)[O-] ZINC000305823944 376506976 /nfs/dbraw/zinc/50/69/76/376506976.db2.gz MCFFPXWVCFMXME-YPMHNXCESA-N 0 1 294.351 2.339 20 5 CEBDMN C[N@H+](Cc1cc([O-])ccc1[N+](=O)[O-])C[C@@H]1CCCC[C@@H]1O ZINC000330461093 377143565 /nfs/dbraw/zinc/14/35/65/377143565.db2.gz WOALZPZVTNPINM-NHYWBVRUSA-N 0 1 294.351 2.283 20 5 CEBDMN C[N@H+](Cc1cc([O-])ccc1[N+](=O)[O-])C[C@H]1CCCC[C@H]1O ZINC000330461092 377143816 /nfs/dbraw/zinc/14/38/16/377143816.db2.gz WOALZPZVTNPINM-IAQYHMDHSA-N 0 1 294.351 2.283 20 5 CEBDMN C[C@@H](O)C[C@H]1CCCC[N@H+]1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000330458862 377144266 /nfs/dbraw/zinc/14/42/66/377144266.db2.gz PPONLJADWWJCJV-DGCLKSJQSA-N 0 1 294.351 2.426 20 5 CEBDMN CCCC[C@H](C)N(C)C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000291356607 377187928 /nfs/dbraw/zinc/18/79/28/377187928.db2.gz VAGKHLQLNUUZKK-QMMMGPOBSA-N 0 1 268.317 2.277 20 5 CEBDMN COc1ccc(CN2[C@@H](C)CC(O)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000331160687 377309753 /nfs/dbraw/zinc/30/97/53/377309753.db2.gz FFBQAFCZCADNKP-QWRGUYRKSA-N 0 1 294.351 2.337 20 5 CEBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@@H](C(=O)[O-])C1 ZINC000564336629 377378698 /nfs/dbraw/zinc/37/86/98/377378698.db2.gz CGMFXHPFYUBBIU-WDEREUQCSA-N 0 1 278.308 2.371 20 5 CEBDMN CC[C@@H](C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1)OC ZINC000565707694 377688910 /nfs/dbraw/zinc/68/89/10/377688910.db2.gz ZRPITEOXLHRJMP-LBPRGKRZSA-N 0 1 264.325 2.378 20 5 CEBDMN CC[C@@H](CN1CCc2c(cccc2[N+](=O)[O-])C1)OC ZINC000565707694 377688915 /nfs/dbraw/zinc/68/89/15/377688915.db2.gz ZRPITEOXLHRJMP-LBPRGKRZSA-N 0 1 264.325 2.378 20 5 CEBDMN Cc1cc(N2CCCC[C@@H]2c2nnc[nH]2)ncc1[N+](=O)[O-] ZINC000295062189 378038521 /nfs/dbraw/zinc/03/85/21/378038521.db2.gz YVYWMTTWBYYSRT-SNVBAGLBSA-N 0 1 288.311 2.148 20 5 CEBDMN CC(F)(F)CCNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000295605114 378232933 /nfs/dbraw/zinc/23/29/33/378232933.db2.gz PKAJWINZRSJOQI-UHFFFAOYSA-N 0 1 274.223 2.076 20 5 CEBDMN Cc1cc(C)c([N+](=O)[O-])c(NCc2n[nH]c(C3CC3)n2)n1 ZINC000450630386 378507171 /nfs/dbraw/zinc/50/71/71/378507171.db2.gz VLNAGSOKAQOZGW-UHFFFAOYSA-N 0 1 288.311 2.214 20 5 CEBDMN Cc1ccc(NCCN2C[C@H]3CC[C@@H](C2)O3)c([N+](=O)[O-])c1 ZINC000450799019 378585188 /nfs/dbraw/zinc/58/51/88/378585188.db2.gz ZZLAOCCSCZXZBB-BETUJISGSA-N 0 1 291.351 2.178 20 5 CEBDMN Cc1c(CN2CCN(C3CC3)CC2)cccc1[N+](=O)[O-] ZINC000299316152 378961966 /nfs/dbraw/zinc/96/19/66/378961966.db2.gz GUBGCTLKNDPDID-UHFFFAOYSA-N 0 1 275.352 2.183 20 5 CEBDMN O=[N+]([O-])c1ccc(CN2CCCC[C@@H]2CCO)c(F)c1 ZINC000267085973 190302210 /nfs/dbraw/zinc/30/22/10/190302210.db2.gz ZNLMCJUFQRYIDS-GFCCVEGCSA-N 0 1 282.315 2.471 20 5 CEBDMN COc1ccc(CN2[C@H](C)CCC[C@@H]2CO)cc1[N+](=O)[O-] ZINC000305269914 379701404 /nfs/dbraw/zinc/70/14/04/379701404.db2.gz XMBRIUYDOMAIEC-DGCLKSJQSA-N 0 1 294.351 2.339 20 5 CEBDMN COC(=O)CC1(NCc2csc([N+](=O)[O-])c2)CCC1 ZINC000347695509 218324467 /nfs/dbraw/zinc/32/44/67/218324467.db2.gz ZEECPJYBVGETPQ-UHFFFAOYSA-N 0 1 284.337 2.232 20 5 CEBDMN CC(C)[C@@]1(C)C[C@H]1NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000458112652 380012995 /nfs/dbraw/zinc/01/29/95/380012995.db2.gz HCKSYYLQJPRHHA-TZMCWYRMSA-N 0 1 278.308 2.465 20 5 CEBDMN COCCO[C@@H]1CCN([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000275560676 285108759 /nfs/dbraw/zinc/10/87/59/285108759.db2.gz NRSQXRMOXSIISF-QWHCGFSZSA-N 0 1 294.351 2.393 20 5 CEBDMN CO[C@@H]1CCN(C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000353861272 220374272 /nfs/dbraw/zinc/37/42/72/220374272.db2.gz ANSWWGOLZWWLCE-RYWCDNDXSA-N 0 1 262.309 2.329 20 5 CEBDMN CC(C)OC(=O)CSCc1cc(O)ccc1[N+](=O)[O-] ZINC000412994809 394455311 /nfs/dbraw/zinc/45/53/11/394455311.db2.gz BWDGSDLVVLNPDE-UHFFFAOYSA-N 0 1 285.321 2.485 20 5 CEBDMN Cc1cc(Cc2nc(Cc3ccccc3[N+](=O)[O-])no2)[nH]n1 ZINC000355685710 394501724 /nfs/dbraw/zinc/50/17/24/394501724.db2.gz CRTYREWSWFUETO-UHFFFAOYSA-N 0 1 299.290 2.191 20 5 CEBDMN Cc1cc(C[C@@H](C)Nc2ncc([N+](=O)[O-])cc2F)[nH]n1 ZINC000413207726 394504883 /nfs/dbraw/zinc/50/48/83/394504883.db2.gz ZMTMISOUVCMIPN-SSDOTTSWSA-N 0 1 279.275 2.204 20 5 CEBDMN CC(C)c1[nH]nc(C(=O)N(C)C2CCCC2)c1[N+](=O)[O-] ZINC000269374014 394717281 /nfs/dbraw/zinc/71/72/81/394717281.db2.gz MYVWWCGFQDOGFU-UHFFFAOYSA-N 0 1 280.328 2.456 20 5 CEBDMN O=[N+]([O-])c1cnc(N[C@H]2CCCc3cn[nH]c32)c(F)c1 ZINC000518722100 395191749 /nfs/dbraw/zinc/19/17/49/395191749.db2.gz PFAINVKSTMRBPC-JTQLQIEISA-N 0 1 277.259 2.342 20 5 CEBDMN CCOCCO[C@@H]1CCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000355226611 395374726 /nfs/dbraw/zinc/37/47/26/395374726.db2.gz SYUMXLVLIXUJAZ-CQSZACIVSA-N 0 1 294.351 2.222 20 5 CEBDMN CCn1nc(C)c([N+](=O)[O-])c1N[C@@H]1CC[N@H+](C(C)C)C1 ZINC000192535263 395386441 /nfs/dbraw/zinc/38/64/41/395386441.db2.gz HDWUAALLDZSHTJ-LLVKDONJSA-N 0 1 281.360 2.014 20 5 CEBDMN CC[C@@H]1CN(C)CCN1Cc1ccc([N+](=O)[O-])cc1OC ZINC000566138851 395501703 /nfs/dbraw/zinc/50/17/03/395501703.db2.gz RMRPCJXFGPLYJM-CYBMUJFWSA-N 0 1 293.367 2.129 20 5 CEBDMN CC(C)c1[nH]nc(C(=O)N(C)[C@H]2CC2(C)C)c1[N+](=O)[O-] ZINC000331467946 400344644 /nfs/dbraw/zinc/34/46/44/400344644.db2.gz JHEGPKXMSNLXMD-QMMMGPOBSA-N 0 1 280.328 2.312 20 5 CEBDMN O=[N+]([O-])c1ccc(CN2CCC(n3cncn3)CC2)cc1 ZINC000363584322 156033680 /nfs/dbraw/zinc/03/36/80/156033680.db2.gz VZDIPAGYKBXIOW-UHFFFAOYSA-N 0 1 287.323 2.023 20 5 CEBDMN C[C@]1(Cc2ccccc2)CCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000373344754 156851252 /nfs/dbraw/zinc/85/12/52/156851252.db2.gz CBGHIUPCLHXHLD-IJEWVQPXSA-N 0 1 288.347 2.275 20 5 CEBDMN Cc1cc([C@@H]2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)cs1 ZINC000375377600 157087907 /nfs/dbraw/zinc/08/79/07/157087907.db2.gz GKYIZYXUFBCRRY-YUSALJHKSA-N 0 1 280.349 2.038 20 5 CEBDMN COc1ccc(CN2CC([C@@H]3CCOC3)C2)cc1[N+](=O)[O-] ZINC000376020474 157178827 /nfs/dbraw/zinc/17/88/27/157178827.db2.gz GJTXMUNFLBWUPM-GFCCVEGCSA-N 0 1 292.335 2.072 20 5 CEBDMN O=C(Nc1ccc2[nH]nnc2c1)c1ccc([N+](=O)[O-])cc1 ZINC000176730738 165173996 /nfs/dbraw/zinc/17/39/96/165173996.db2.gz XSLUZBCXVUZIJB-UHFFFAOYSA-N 0 1 283.247 2.118 20 5 CEBDMN CC[C@@H](CO)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000035368225 172159455 /nfs/dbraw/zinc/15/94/55/172159455.db2.gz KNYORMLVSMVWLK-VIFPVBQESA-N 0 1 258.705 2.109 20 5 CEBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@H]1c1ccsc1 ZINC000044539167 175200711 /nfs/dbraw/zinc/20/07/11/175200711.db2.gz PXGPFNGWOCCCJQ-VWYCJHECSA-N 0 1 266.322 2.077 20 5 CEBDMN NC(=O)CC1(NCc2ccc([N+](=O)[O-])cc2Cl)CCC1 ZINC000354933864 227247805 /nfs/dbraw/zinc/24/78/05/227247805.db2.gz YBKQSZZTAQQQIG-UHFFFAOYSA-N 0 1 297.742 2.136 20 5 CEBDMN C[C@@H]1[C@H](C)N(C(=O)Nc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000356087891 228115886 /nfs/dbraw/zinc/11/58/86/228115886.db2.gz TXEGIOHLHCTODI-MNOVXSKESA-N 0 1 292.339 2.151 20 5 CEBDMN COCCN(Cc1ccc(C)c([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000426496866 271220786 /nfs/dbraw/zinc/22/07/86/271220786.db2.gz KHOILSIQHBZYSH-CQSZACIVSA-N 0 1 294.351 2.141 20 5 CEBDMN COCCN1CCN(c2cc(C)ccc2[N+](=O)[O-])C[C@@H]1C ZINC000268038993 274030205 /nfs/dbraw/zinc/03/02/05/274030205.db2.gz NFOXZOMJMHHAJF-ZDUSSCGKSA-N 0 1 293.367 2.060 20 5 CEBDMN CC(C)c1[nH]nc(C(=O)N2C[C@H](C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000269468924 276041441 /nfs/dbraw/zinc/04/14/41/276041441.db2.gz INLODYSWXJFHNN-IUCAKERBSA-N 0 1 280.328 2.169 20 5 CEBDMN CNC(=O)[C@H](C)N[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000291973491 277249074 /nfs/dbraw/zinc/24/90/74/277249074.db2.gz UFTQFVOEFFXSOT-TVQRCGJNSA-N 0 1 291.351 2.041 20 5 CEBDMN CCN(C)C(=O)[C@@H](C)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000188468953 279024293 /nfs/dbraw/zinc/02/42/93/279024293.db2.gz NSFPWKVKBWZNIT-WDEREUQCSA-N 0 1 279.340 2.112 20 5 CEBDMN C[C@@H]1CC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])[C@H]1CO ZINC000249117051 280384966 /nfs/dbraw/zinc/38/49/66/280384966.db2.gz SLYUHQDAQBMZBN-NBOVPLECSA-N 0 1 276.336 2.311 20 5 CEBDMN O=C(CN1CC[C@@H]2CCC[C@@H]21)Nc1ccccc1[N+](=O)[O-] ZINC000426463895 281194342 /nfs/dbraw/zinc/19/43/42/281194342.db2.gz VIZZXLHCRBTADT-AAEUAGOBSA-N 0 1 289.335 2.408 20 5 CEBDMN CCCN(CC(N)=O)C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000430130970 281264575 /nfs/dbraw/zinc/26/45/75/281264575.db2.gz XCJYWEAIBUSYLM-XYOKQWHBSA-N 0 1 291.351 2.195 20 5 CEBDMN CCc1[nH]nc(C(=O)N2CC3(CCC3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000372978899 281362276 /nfs/dbraw/zinc/36/22/76/281362276.db2.gz HVVPWHDOWBXXDE-VIFPVBQESA-N 0 1 292.339 2.285 20 5 CEBDMN Cc1nc(N2CCc3cnccc32)ccc1[N+](=O)[O-] ZINC000151018619 281942514 /nfs/dbraw/zinc/94/25/14/281942514.db2.gz ZMXOASHAZXYWMU-UHFFFAOYSA-N 0 1 256.265 2.387 20 5 CEBDMN COc1ccc(CNCC2(F)CC2)cc1[N+](=O)[O-] ZINC000527227784 297712958 /nfs/dbraw/zinc/71/29/58/297712958.db2.gz AYRMZRLMUSJOHF-UHFFFAOYSA-N 0 1 254.261 2.195 20 5 CEBDMN COC[C@H](NCc1nc2cc([N+](=O)[O-])ccc2o1)C(C)C ZINC000542521108 298291432 /nfs/dbraw/zinc/29/14/32/298291432.db2.gz KCHDOKVHPOZPIM-LBPRGKRZSA-N 0 1 293.323 2.497 20 5 CEBDMN Cc1cnc(N2CCCC[C@H]2c2nnc[nH]2)c([N+](=O)[O-])c1 ZINC000294900109 302348683 /nfs/dbraw/zinc/34/86/83/302348683.db2.gz HCNPBTQTQKZWCF-JTQLQIEISA-N 0 1 288.311 2.148 20 5 CEBDMN C[C@@H]1CN2CCCC[C@H]2CN1c1ncc([N+](=O)[O-])cc1F ZINC000571293229 314083138 /nfs/dbraw/zinc/08/31/38/314083138.db2.gz LVVSGLUOHHOIPM-MNOVXSKESA-N 0 1 294.330 2.192 20 5 CEBDMN C[C@@H]1C[C@@H]1c1noc(-c2cc(O)cc([N+](=O)[O-])c2)n1 ZINC000571735156 314103680 /nfs/dbraw/zinc/10/36/80/314103680.db2.gz NMSRFBJCZJCHCO-LDWIPMOCSA-N 0 1 261.237 2.474 20 5 CEBDMN C[C@H](C(=O)[O-])[N@@H+](Cc1csc([N+](=O)[O-])c1)C1CCC1 ZINC000580904514 322354092 /nfs/dbraw/zinc/35/40/92/322354092.db2.gz VRLPXHOGIAFNFR-MRVPVSSYSA-N 0 1 284.337 2.484 20 5 CEBDMN CCOc1ccc([N+](=O)[O-])cc1CN[C@@H]1CO[C@@H](C)C1 ZINC000582002563 322438448 /nfs/dbraw/zinc/43/84/48/322438448.db2.gz SHWFSNVGJBFIAE-JQWIXIFHSA-N 0 1 280.324 2.261 20 5 CEBDMN CC[C@@H](C)N(C)CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000068449948 522048762 /nfs/dbraw/zinc/04/87/62/522048762.db2.gz KBKOYQCWYIWUOB-SNVBAGLBSA-N 0 1 295.339 2.272 20 5 CEBDMN O=C(OCCc1ccc(F)cc1)c1ccc([N+](=O)[O-])[nH]1 ZINC000732518154 574622652 /nfs/dbraw/zinc/62/26/52/574622652.db2.gz KKNCMPZSQYFCFU-UHFFFAOYSA-N 0 1 278.239 2.462 20 5 CEBDMN CCc1cc(CNC(=O)c2ccc([N+](=O)[O-])cc2C)n[nH]1 ZINC000732794372 574631050 /nfs/dbraw/zinc/63/10/50/574631050.db2.gz OGRDTWQNQIWGTJ-UHFFFAOYSA-N 0 1 288.307 2.119 20 5 CEBDMN C[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)CC[C@H]1NC(=O)[O-] ZINC000739187136 574898236 /nfs/dbraw/zinc/89/82/36/574898236.db2.gz HVLPBHHUCNYHDG-GXFFZTMASA-N 0 1 293.323 2.073 20 5 CEBDMN C[C@@H](C[N@@H+](C)Cc1cc(Cl)ccc1[N+](=O)[O-])C(=O)[O-] ZINC000093633512 601114249 /nfs/dbraw/zinc/11/42/49/601114249.db2.gz WEQUFSIYDCSMLW-QMMMGPOBSA-N 0 1 286.715 2.401 20 5 CEBDMN C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@H](C(=O)[O-])[C@H](C)C1 ZINC000226430737 601527695 /nfs/dbraw/zinc/52/76/95/601527695.db2.gz FHCZQXSSDRKHKQ-BREBYQMCSA-N 0 1 278.308 2.308 20 5 CEBDMN C[C@H](NCc1cccc([N+](=O)[O-])c1)c1ccnn1C ZINC000235524772 623059974 /nfs/dbraw/zinc/05/99/74/623059974.db2.gz GKPZFLBBDVHCAP-JTQLQIEISA-N 0 1 260.297 2.179 20 5 CEBDMN CC(C)C[C@@H]1CN(C)CCN1Cc1cccnc1[N+](=O)[O-] ZINC000933254832 623561936 /nfs/dbraw/zinc/56/19/36/623561936.db2.gz WNMWTMSEDJSZNB-CQSZACIVSA-N 0 1 292.383 2.152 20 5 CEBDMN O=[N+]([O-])c1ccc(O)cc1CSc1cccc[n+]1[O-] ZINC000821057610 634616740 /nfs/dbraw/zinc/61/67/40/634616740.db2.gz CNQHKXNATPCRRD-UHFFFAOYSA-N 0 1 278.289 2.226 20 5 CEBDMN O=C(OC/C=C\c1cccc(F)c1)[C@@H]1CC1[N+](=O)[O-] ZINC000893547605 628728031 /nfs/dbraw/zinc/72/80/31/628728031.db2.gz LUKBWGHQFCJRHO-DNDCWNJCSA-N 0 1 265.240 2.047 20 5 CEBDMN COC(=O)C[C@@H]1CN(Cc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000932102762 628964495 /nfs/dbraw/zinc/96/44/95/628964495.db2.gz NYLISGPSINSXLW-DGCLKSJQSA-N 0 1 292.335 2.226 20 5 CEBDMN O=C(/C=C\[C@@H]1CCCO1)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000821398972 634710602 /nfs/dbraw/zinc/71/06/02/634710602.db2.gz WAZYGFZZKMTFNF-RNZFLTOJSA-N 0 1 293.275 2.079 20 5 CEBDMN CC(C)C1CN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000795546805 629603887 /nfs/dbraw/zinc/60/38/87/629603887.db2.gz OPHZQIMTSYDRLD-CQSZACIVSA-N 0 1 264.325 2.216 20 5 CEBDMN CCn1c(C)nc([N+](=O)[O-])c1N1C[C@@H](C)N(CC)[C@@H](C)C1 ZINC000895099942 629895366 /nfs/dbraw/zinc/89/53/66/629895366.db2.gz OSWPIUFSXAGRKJ-PHIMTYICSA-N 0 1 295.387 2.039 20 5 CEBDMN CC(=O)c1cc([N+](=O)[O-])ccc1N[C@H]1CC[N@@H+](C)[C@@H]1C ZINC000895735302 630325533 /nfs/dbraw/zinc/32/55/33/630325533.db2.gz CXQPFYHDQXAODS-RNCFNFMXSA-N 0 1 277.324 2.302 20 5 CEBDMN CC(=O)c1cc([N+](=O)[O-])ccc1N[C@H]1CCN(C)[C@@H]1C ZINC000895735302 630325535 /nfs/dbraw/zinc/32/55/35/630325535.db2.gz CXQPFYHDQXAODS-RNCFNFMXSA-N 0 1 277.324 2.302 20 5 CEBDMN COC(OC)[C@@H](C)NCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000895795384 630352201 /nfs/dbraw/zinc/35/22/01/630352201.db2.gz WBVYOEAZQKDOOQ-MRVPVSSYSA-N 0 1 288.731 2.345 20 5 CEBDMN CC(C)C[C@@H]1CN(C)CCN1c1ccc([N+](=O)[O-])nc1 ZINC000896650378 630625147 /nfs/dbraw/zinc/62/51/47/630625147.db2.gz GIZITOMDJYKGGP-CYBMUJFWSA-N 0 1 278.356 2.156 20 5 CEBDMN Cc1ccc(C[N@H+]2CCCC[C@@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC000263426179 631424960 /nfs/dbraw/zinc/42/49/60/631424960.db2.gz QNMUGGCIVKXPHJ-GFCCVEGCSA-N 0 1 278.308 2.342 20 5 CEBDMN O=[N+]([O-])c1ccnn1CN1CCCc2ccccc2CC1 ZINC000840133812 631948112 /nfs/dbraw/zinc/94/81/12/631948112.db2.gz MXMOCEIRXDOAGJ-UHFFFAOYSA-N 0 1 286.335 2.240 20 5 CEBDMN Cc1nc(-c2ccccc2)[nH]c1C(=O)OC[C@@H](C)[N+](=O)[O-] ZINC000813104664 632622972 /nfs/dbraw/zinc/62/29/72/632622972.db2.gz PTTHREAZRFQKAC-SECBINFHSA-N 0 1 289.291 2.207 20 5 CEBDMN O=[N+]([O-])c1cc(CNCCO[C@@H]2CCCCO2)cs1 ZINC000813333483 632672246 /nfs/dbraw/zinc/67/22/46/632672246.db2.gz QJYQOHBPSZLQBA-GFCCVEGCSA-N 0 1 286.353 2.289 20 5 CEBDMN Cc1ccc(COC(=O)c2ccc([N+](=O)[O-])[nH]2)o1 ZINC000816429448 633380959 /nfs/dbraw/zinc/38/09/59/633380959.db2.gz DFZQSQRLWQVNJZ-UHFFFAOYSA-N 0 1 250.210 2.181 20 5 CEBDMN COCC1(COC(=O)c2ccc([N+](=O)[O-])[nH]2)CCCC1 ZINC000817747248 633734479 /nfs/dbraw/zinc/73/44/79/633734479.db2.gz LQKXMLRNPFOVKJ-UHFFFAOYSA-N 0 1 282.296 2.287 20 5 CEBDMN C[C@@H](CN[C@@H](C)c1cn(C)nn1)c1ccccc1[N+](=O)[O-] ZINC000903245421 635025996 /nfs/dbraw/zinc/02/59/96/635025996.db2.gz LYPRPNUBQSQHAE-QWRGUYRKSA-N 0 1 289.339 2.178 20 5 CEBDMN CCN1CCC[C@H](N[C@H](C)c2cccc([N+](=O)[O-])c2)C1=O ZINC000903393990 635090284 /nfs/dbraw/zinc/09/02/84/635090284.db2.gz WWKZRTSVQSASDP-RISCZKNCSA-N 0 1 291.351 2.256 20 5 CEBDMN CC(C)c1ccccc1OCCNCC[N+](=O)[O-] ZINC000905103690 635816880 /nfs/dbraw/zinc/81/68/80/635816880.db2.gz LGSKAYUOCHTMOA-UHFFFAOYSA-N 0 1 252.314 2.055 20 5 CEBDMN C[C@H]1CCc2c(F)cccc2[C@H]1NCC[N+](=O)[O-] ZINC000905156238 635832290 /nfs/dbraw/zinc/83/22/90/635832290.db2.gz XZNCJBXUOGMLDC-ZANVPECISA-N 0 1 252.289 2.315 20 5 CEBDMN CO[C@@H](c1ccc(Cl)cc1)[C@@H](C)NCC[N+](=O)[O-] ZINC000905126051 635835539 /nfs/dbraw/zinc/83/55/39/635835539.db2.gz CQNBPFMZPHIZEY-BXKDBHETSA-N 0 1 272.732 2.282 20 5 CEBDMN O=[N+]([O-])CCN[C@@H]1CCCO[C@H]1c1ccc(Cl)cc1 ZINC000905408140 636260228 /nfs/dbraw/zinc/26/02/28/636260228.db2.gz HXWGLHGAXPJUEW-OLZOCXBDSA-N 0 1 284.743 2.426 20 5 CEBDMN COC(=O)/C(C)=C/CN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000830161461 636996381 /nfs/dbraw/zinc/99/63/81/636996381.db2.gz RNKYJDWBDSUVED-UQSGXBNBSA-N 0 1 278.308 2.365 20 5 CEBDMN Cn1cc(CN2CC[C@H]2Cc2ccccc2)c([N+](=O)[O-])n1 ZINC000876774171 650427369 /nfs/dbraw/zinc/42/73/69/650427369.db2.gz NOVCZCJZIHRORA-AWEZNQCLSA-N 0 1 286.335 2.145 20 5 CEBDMN O=C(CC[C@@H]1CCCO1)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837422606 639223087 /nfs/dbraw/zinc/22/30/87/639223087.db2.gz UVPCGYNSPKFERL-LBPRGKRZSA-N 0 1 295.291 2.303 20 5 CEBDMN CC[C@H](NC)c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000044626028 639349119 /nfs/dbraw/zinc/34/91/19/639349119.db2.gz FTVYUAZDSZSQLK-JTQLQIEISA-N 0 1 262.269 2.315 20 5 CEBDMN O=C(OCCc1ccc(Cl)cc1)[C@@H]1CC1[N+](=O)[O-] ZINC000840674591 639521391 /nfs/dbraw/zinc/52/13/91/639521391.db2.gz NEHCPWDBEZERDM-GHMZBOCLSA-N 0 1 269.684 2.091 20 5 CEBDMN C[C@@H](NCCOc1ccc([N+](=O)[O-])cc1)c1cn(C)cn1 ZINC000925382652 640020968 /nfs/dbraw/zinc/02/09/68/640020968.db2.gz MIFBRPICYUGDGB-LLVKDONJSA-N 0 1 290.323 2.058 20 5 CEBDMN C[C@@H](COC(=O)c1ccc([N+](=O)[O-])[nH]1)CC(F)F ZINC000842439786 640058985 /nfs/dbraw/zinc/05/89/85/640058985.db2.gz SIOKDNHXAWIENA-ZCFIWIBFSA-N 0 1 262.212 2.371 20 5 CEBDMN C[C@H](CNC(=O)c1ccc([N+](=O)[O-])s1)N1CCCCC1 ZINC000917838152 640920703 /nfs/dbraw/zinc/92/07/03/640920703.db2.gz JJSYJVRAEOVWIW-SNVBAGLBSA-N 0 1 297.380 2.261 20 5 CEBDMN CCc1nc([C@@H](C)OC(=O)c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000849629440 642376011 /nfs/dbraw/zinc/37/60/11/642376011.db2.gz TWDAJYDTPXPBLT-MRVPVSSYSA-N 0 1 290.279 2.193 20 5 CEBDMN CCc1nc([C@H](C)OC(=O)c2csc([N+](=O)[O-])c2)n[nH]1 ZINC000849699314 642408011 /nfs/dbraw/zinc/40/80/11/642408011.db2.gz GWFVCNGZLSKROQ-LURJTMIESA-N 0 1 296.308 2.255 20 5 CEBDMN CCO[C@@H]1[C@H](C)[C@H]1C(=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000923450733 643720974 /nfs/dbraw/zinc/72/09/74/643720974.db2.gz ICHRWWVUCWFKLB-BZHVJNSISA-N 0 1 295.291 2.015 20 5 CEBDMN CC(C)Nc1ccccc1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000855861040 644509812 /nfs/dbraw/zinc/50/98/12/644509812.db2.gz MWNKTCDOJOAZRB-BXKDBHETSA-N 0 1 263.297 2.111 20 5 CEBDMN Cc1nn(CN2CC[C@@H](C(C)C)C2)c(C)c1[N+](=O)[O-] ZINC000755918540 644581971 /nfs/dbraw/zinc/58/19/71/644581971.db2.gz CVVSVAHTYQQXDF-GFCCVEGCSA-N 0 1 266.345 2.344 20 5 CEBDMN C[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccc(F)cc1Cl ZINC000839685267 644773584 /nfs/dbraw/zinc/77/35/84/644773584.db2.gz FZVCSKPORJDVQD-KNBVPPQFSA-N 0 1 286.690 2.322 20 5 CEBDMN CC[C@H](CSc1ccccc1)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839714347 644790088 /nfs/dbraw/zinc/79/00/88/644790088.db2.gz YPXHHKVGMSQELA-RAIGVLPGSA-N 0 1 294.376 2.339 20 5 CEBDMN C[C@@H]1CCCc2ccccc2[C@H]1NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839726758 644793431 /nfs/dbraw/zinc/79/34/31/644793431.db2.gz WQCKUEXNJAPIIG-QZKOUSHUSA-N 0 1 288.347 2.482 20 5 CEBDMN C[C@@H](C1CCCCC1)N(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839745507 644803962 /nfs/dbraw/zinc/80/39/62/644803962.db2.gz OCFIEQWVWHHZSA-MVWJERBFSA-N 0 1 254.330 2.079 20 5 CEBDMN O=C(N[C@@H]1C[C@H]1c1cccc2ccccc21)[C@@H]1CC1[N+](=O)[O-] ZINC000839750720 644805788 /nfs/dbraw/zinc/80/57/88/644805788.db2.gz PRKPMYBNMLAPCE-ZJIFWQFVSA-N 0 1 296.326 2.477 20 5 CEBDMN C[C@@H]1C[C@H](CO)CCN1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000860089755 645697201 /nfs/dbraw/zinc/69/72/01/645697201.db2.gz GQPSTYUUGIJFSB-ZYHUDNBSSA-N 0 1 282.315 2.327 20 5 CEBDMN O=C(N[C@H]1CCc2ccc(Cl)cc21)[C@@H]1CC1[N+](=O)[O-] ZINC000863634793 646773883 /nfs/dbraw/zinc/77/38/83/646773883.db2.gz PVNXWTCLBUXZCQ-GRYCIOLGSA-N 0 1 280.711 2.109 20 5 CEBDMN Cc1ccc([C@@H](O)CNCc2ccc([N+](=O)[O-])cc2F)o1 ZINC000778092894 647199311 /nfs/dbraw/zinc/19/93/11/647199311.db2.gz GSFBBEBPWQSQHI-ZDUSSCGKSA-N 0 1 294.282 2.459 20 5 CEBDMN O=C(Oc1cccc([N+](=O)[O-])c1)c1ccc2cncn2c1 ZINC000785730756 647951331 /nfs/dbraw/zinc/95/13/31/647951331.db2.gz RQGBRXUVDPZHRL-UHFFFAOYSA-N 0 1 283.243 2.462 20 5 CEBDMN C[C@@H]1CN(c2cccc(F)c2[N+](=O)[O-])[C@H](C)CN1C ZINC000785836710 647962039 /nfs/dbraw/zinc/96/20/39/647962039.db2.gz CKULFBONQFVYKW-NXEZZACHSA-N 0 1 267.304 2.263 20 5 CEBDMN CN(CCCOc1cccc(Cl)c1)CC[N+](=O)[O-] ZINC000791051947 648476301 /nfs/dbraw/zinc/47/63/01/648476301.db2.gz IQXQIKADISQTGB-UHFFFAOYSA-N 0 1 272.732 2.317 20 5 CEBDMN C[C@@H](CCO)N[C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872037192 649248907 /nfs/dbraw/zinc/24/89/07/649248907.db2.gz BVCQEMSFUOWGRD-IUCAKERBSA-N 0 1 256.277 2.155 20 5 CEBDMN CN1CCC[C@@H]2[C@@H]1CCN2c1ncc([N+](=O)[O-])cc1Cl ZINC000872781731 649488900 /nfs/dbraw/zinc/48/89/00/649488900.db2.gz XWAHCWQHJLTSER-NWDGAFQWSA-N 0 1 296.758 2.316 20 5 CEBDMN Cc1c(CN[C@@H]2CC(=O)N(C(C)C)C2)cccc1[N+](=O)[O-] ZINC000873057207 649545832 /nfs/dbraw/zinc/54/58/32/649545832.db2.gz PJKVUOUBXSELOJ-CYBMUJFWSA-N 0 1 291.351 2.002 20 5 CEBDMN CCN(C#N)CCN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000878660355 651155904 /nfs/dbraw/zinc/15/59/04/651155904.db2.gz SPWYTQFHASROHT-NSHDSACASA-N 0 1 262.313 2.048 20 5 CEBDMN Cc1cc(C)c([N+](=O)[O-])c(N2C[C@@H](C)N(C)C[C@@H]2C)n1 ZINC000408169515 719209913 /nfs/dbraw/zinc/20/99/13/719209913.db2.gz OCLVZJAEQVEYPR-NEPJUHHUSA-N 0 1 278.356 2.135 20 5 CEBDMN O=[N+]([O-])c1cc(F)cnc1N1CCN(C2CCCC2)CC1 ZINC000601102660 721854033 /nfs/dbraw/zinc/85/40/33/721854033.db2.gz CFUHRPKPCQYPLY-UHFFFAOYSA-N 0 1 294.330 2.194 20 5 CEBDMN CN1CCC[C@@H](Oc2nc(Cl)ccc2[N+](=O)[O-])C1 ZINC001226366322 805587977 /nfs/dbraw/zinc/58/79/77/805587977.db2.gz KHFAOMDJXCOZLF-MRVPVSSYSA-N 0 1 271.704 2.116 20 5 CEBDMN CCN1CCC[C@H](Oc2c(OC)cccc2[N+](=O)[O-])C1 ZINC001227700684 805966654 /nfs/dbraw/zinc/96/66/54/805966654.db2.gz FHQKGEWFSQYSFE-NSHDSACASA-N 0 1 280.324 2.467 20 5 CEBDMN CC(=O)Nc1ccc(NC2CN(C(C)C)C2)cc1[N+](=O)[O-] ZINC001168314104 806646547 /nfs/dbraw/zinc/64/65/47/806646547.db2.gz KHPUJFBKJNYOAX-UHFFFAOYSA-N 0 1 292.339 2.058 20 5 CEBDMN CC(C)=C(F)C(=O)NCCNCc1ccccc1[N+](=O)[O-] ZINC001125593166 803132572 /nfs/dbraw/zinc/13/25/72/803132572.db2.gz PYBQBZLGGZQOFQ-UHFFFAOYSA-N 0 1 295.314 2.064 20 5 CEBDMN CCN(CCNC(=O)C(C)C)Cc1ccc([N+](=O)[O-])cc1 ZINC001267236524 803270327 /nfs/dbraw/zinc/27/03/27/803270327.db2.gz NIKVABREQVONAO-UHFFFAOYSA-N 0 1 293.367 2.189 20 5 CEBDMN CN1CCC[C@H](Oc2cccc([N+](=O)[O-])c2F)C1 ZINC001225793612 805298895 /nfs/dbraw/zinc/29/88/95/805298895.db2.gz BYRMXANDKSVEOJ-VIFPVBQESA-N 0 1 254.261 2.207 20 5 CEBDMN CC(C)(O)[C@H]1CCN(Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000721776112 805400550 /nfs/dbraw/zinc/40/05/50/805400550.db2.gz KEUVZNASBVYDRD-NSHDSACASA-N 0 1 282.315 2.327 20 5 CEBDMN CCN1CC[C@@H](Oc2cc([N+](=O)[O-])c(F)cc2F)C1 ZINC001226191522 805547974 /nfs/dbraw/zinc/54/79/74/805547974.db2.gz PJWKIUPJPGTLRP-MRVPVSSYSA-N 0 1 272.251 2.346 20 5 CEBDMN CC[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccc(C)c(F)c1 ZINC001127660419 808175373 /nfs/dbraw/zinc/17/53/73/808175373.db2.gz KOZALUBKWRWGIO-KGYLQXTDSA-N 0 1 280.299 2.367 20 5 CEBDMN CCN1CC[C@@H]1CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000712333601 811192340 /nfs/dbraw/zinc/19/23/40/811192340.db2.gz GYOHADFXDLDNMS-SNVBAGLBSA-N 0 1 297.742 2.072 20 5 CEBDMN Cc1ccc2c(c1)[C@H](N[C@@H]1CC[C@H](C[N+](=O)[O-])C1)C(=O)N2 ZINC001168964760 811317776 /nfs/dbraw/zinc/31/77/76/811317776.db2.gz VXOQNVFQRHTPLA-WDMOLILDSA-N 0 1 289.335 2.023 20 5 CEBDMN Cc1cnc2c(c1)CN([C@H]1CC[C@H](C[N+](=O)[O-])C1)CC2 ZINC001169048879 811356533 /nfs/dbraw/zinc/35/65/33/811356533.db2.gz VOFZMUNKLSWYRX-JSGCOSHPSA-N 0 1 275.352 2.194 20 5 CEBDMN C[C@H](COC(=O)c1ccc(CN2CCCCC2)o1)[N+](=O)[O-] ZINC001122950036 815457134 /nfs/dbraw/zinc/45/71/34/815457134.db2.gz FBPGOZUIFABWSQ-LLVKDONJSA-N 0 1 296.323 2.088 20 5 CEBDMN Cc1cnc(CN)n1-c1ccc2ccc([N+](=O)[O-])cc2n1 ZINC001158164580 812616679 /nfs/dbraw/zinc/61/66/79/812616679.db2.gz NGFQIJGQNQJIHM-UHFFFAOYSA-N 0 1 283.291 2.096 20 5 CEBDMN O=[N+]([O-])c1ccc2c(c1)CC[C@H](N1CCC13COC3)CC2 ZINC001172916097 815543997 /nfs/dbraw/zinc/54/39/97/815543997.db2.gz QPWFCYJPWHXGAN-CQSZACIVSA-N 0 1 288.347 2.317 20 5 CEBDMN CCN1CCN(c2ccc([N+](=O)[O-])cc2COC)C[C@@H]1C ZINC000754078957 814118037 /nfs/dbraw/zinc/11/80/37/814118037.db2.gz CMNJIOQUQPDNQZ-LBPRGKRZSA-N 0 1 293.367 2.272 20 5 CEBDMN CCN1CC[C@H]1CNc1ccc(F)cc1[N+](=O)[O-] ZINC000712616972 814758241 /nfs/dbraw/zinc/75/82/41/814758241.db2.gz SNFTYLSEHNNEFA-JTQLQIEISA-N 0 1 253.277 2.240 20 5 CEBDMN C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@@H](C)c1nncn1C ZINC000449126918 282110406 /nfs/dbraw/zinc/11/04/06/282110406.db2.gz NUAUPYDDLQYLOJ-MNOVXSKESA-N 0 1 289.339 2.005 20 5 CEBDMN C[C@H](Cc1ccccc1[N+](=O)[O-])N(C)[C@@H](C)C[S@](C)=O ZINC000449239439 282154339 /nfs/dbraw/zinc/15/43/39/282154339.db2.gz JMYRUYVNIVTCPU-JGRMJRGVSA-N 0 1 298.408 2.225 20 5 CEBDMN O=[N+]([O-])c1cc(CN(CCO)C2CC2)ccc1Cl ZINC000042479092 362098317 /nfs/dbraw/zinc/09/83/17/362098317.db2.gz OFSOEINLWQJEJN-UHFFFAOYSA-N 0 1 270.716 2.205 20 5 CEBDMN O=c1cc(C2CCC2)[nH]n1-c1cccc([N+](=O)[O-])c1 ZINC000601933389 346929934 /nfs/dbraw/zinc/92/99/34/346929934.db2.gz ZRIMURUZLBWOGA-UHFFFAOYSA-N 0 1 259.265 2.488 20 5 CEBDMN COc1cc([N+](=O)[O-])ccc1-n1[nH]c2c(c1=O)CC[C@@H]2C ZINC000601936879 346932834 /nfs/dbraw/zinc/93/28/34/346932834.db2.gz WUNKBZPHVYOIQY-WPRPVWTQSA-N 0 1 289.291 2.352 20 5 CEBDMN CCc1nc(CNc2cc(OC)c([N+](=O)[O-])cc2F)n[nH]1 ZINC000294995008 199290011 /nfs/dbraw/zinc/29/00/11/199290011.db2.gz RBWQEUSZKLPAEY-UHFFFAOYSA-N 0 1 295.274 2.035 20 5 CEBDMN CN1CCC[C@@H](NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000048752123 343532565 /nfs/dbraw/zinc/53/25/65/343532565.db2.gz ZOJQRHYWPOHHGU-SNVBAGLBSA-N 0 1 297.742 2.072 20 5 CEBDMN CCOc1ccc([N+](=O)[O-])cc1CN1C[C@@H]2COC[C@@H]2C1 ZINC000601974332 346948008 /nfs/dbraw/zinc/94/80/08/346948008.db2.gz ICXUZYUZPZWBAA-BETUJISGSA-N 0 1 292.335 2.072 20 5 CEBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@H]1c1cccc(F)c1 ZINC000055864906 343609371 /nfs/dbraw/zinc/60/93/71/343609371.db2.gz IXZLLTFLPZBDJZ-AGIUHOORSA-N 0 1 278.283 2.154 20 5 CEBDMN Cc1[nH]nc(C(=O)N(C)C[C@@H](C)C(C)(C)C)c1[N+](=O)[O-] ZINC000602219230 346997798 /nfs/dbraw/zinc/99/77/98/346997798.db2.gz YOAHTAQHZMPOSH-MRVPVSSYSA-N 0 1 282.344 2.381 20 5 CEBDMN Cc1ccccc1[C@@H]1CCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000048806671 362304408 /nfs/dbraw/zinc/30/44/08/362304408.db2.gz KTZCGQLKGBVROU-RDBSUJKOSA-N 0 1 274.320 2.324 20 5 CEBDMN Cc1ccc(-c2ncco2)cc1NC(=O)[C@H]1C[C@@H]1[N+](=O)[O-] ZINC000089618301 344126137 /nfs/dbraw/zinc/12/61/37/344126137.db2.gz QMNQPHXOEPZNNN-JQWIXIFHSA-N 0 1 287.275 2.254 20 5 CEBDMN Cn1cc(CN2CCS[C@H]3CCCC[C@H]32)c([N+](=O)[O-])n1 ZINC000602477033 347050731 /nfs/dbraw/zinc/05/07/31/347050731.db2.gz OVSPQQKOMYGBDV-NEPJUHHUSA-N 0 1 296.396 2.188 20 5 CEBDMN CCCn1nccc1CNCc1ccc([N+](=O)[O-])cc1 ZINC000160090509 344457081 /nfs/dbraw/zinc/45/70/81/344457081.db2.gz GOIVYVNPNYQHEN-UHFFFAOYSA-N 0 1 274.324 2.491 20 5 CEBDMN NC(=O)CC[C@@H]1CCCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000170736798 344488797 /nfs/dbraw/zinc/48/87/97/344488797.db2.gz WHRZABVREDTATQ-LBPRGKRZSA-N 0 1 291.351 2.072 20 5 CEBDMN CCOc1ccc([N+](=O)[O-])cc1CNC[C@@H]1CCC[N@H+]1C ZINC000236849104 344598134 /nfs/dbraw/zinc/59/81/34/344598134.db2.gz CUZDHPAENTZYEL-AWEZNQCLSA-N 0 1 293.367 2.177 20 5 CEBDMN CN[C@@H](C)c1cn(-c2ccc(Cl)cc2[N+](=O)[O-])nn1 ZINC000311354419 344733722 /nfs/dbraw/zinc/73/37/22/344733722.db2.gz BUBQWNMDYPHFOP-ZETCQYMHSA-N 0 1 281.703 2.109 20 5 CEBDMN COC[C@H]1CCCC[N@H+]1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000449760935 282358258 /nfs/dbraw/zinc/35/82/58/282358258.db2.gz SMVIMHZXAVHPDR-GFCCVEGCSA-N 0 1 280.324 2.301 20 5 CEBDMN Cc1cc([N+](=O)[O-])ccc1CN(C)[C@@H](CO)COC(C)C ZINC000589205343 345071592 /nfs/dbraw/zinc/07/15/92/345071592.db2.gz WUPXZLODQJAGGE-HNNXBMFYSA-N 0 1 296.367 2.121 20 5 CEBDMN COC(=O)c1ccc([N+](=O)[O-])c(CN(C)C2CCC2)c1 ZINC000589502294 345085106 /nfs/dbraw/zinc/08/51/06/345085106.db2.gz NJGAVJWAFNNWAQ-UHFFFAOYSA-N 0 1 278.308 2.366 20 5 CEBDMN O=[N+]([O-])c1cncc(Cl)c1N1CC[C@@H](N2CCCC2)C1 ZINC000589113293 345066393 /nfs/dbraw/zinc/06/63/93/345066393.db2.gz ILRDWKLHEKTYMF-SNVBAGLBSA-N 0 1 296.758 2.318 20 5 CEBDMN CC(C)(C)c1nc(CNc2cccnc2[N+](=O)[O-])n[nH]1 ZINC000591177300 345228190 /nfs/dbraw/zinc/22/81/90/345228190.db2.gz SKSMDSIKAQIJSD-UHFFFAOYSA-N 0 1 276.300 2.018 20 5 CEBDMN CCOc1ccc([N+](=O)[O-])cc1CN(C)[C@@H](C)CCO ZINC000593107041 345440531 /nfs/dbraw/zinc/44/05/31/345440531.db2.gz FBISISSRIOPUJL-NSHDSACASA-N 0 1 282.340 2.196 20 5 CEBDMN C[C@@H]1CN(C)[C@H](C)[C@H](C)N1C(=O)c1ccccc1[N+](=O)[O-] ZINC000593187202 345450871 /nfs/dbraw/zinc/45/08/71/345450871.db2.gz HBRYUHRXNFKSBJ-UTUOFQBUSA-N 0 1 291.351 2.148 20 5 CEBDMN C[C@@H]1[C@@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](C)CN1C ZINC000593188147 345451475 /nfs/dbraw/zinc/45/14/75/345451475.db2.gz WNYUDZQCICGYJW-QJPTWQEYSA-N 0 1 291.351 2.148 20 5 CEBDMN CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@H](CC)C(=O)[O-] ZINC000593287937 345462830 /nfs/dbraw/zinc/46/28/30/345462830.db2.gz AFCQOJXQAUPBGE-GFCCVEGCSA-N 0 1 296.323 2.289 20 5 CEBDMN O=[N+]([O-])c1ccc(CN[C@@H](CO)CCF)c(Cl)c1 ZINC000593685484 345520889 /nfs/dbraw/zinc/52/08/89/345520889.db2.gz IKEKDOGVZLUWLP-SECBINFHSA-N 0 1 276.695 2.058 20 5 CEBDMN CC[NH2+]CC1CCN(Cc2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC000593724900 345527973 /nfs/dbraw/zinc/52/79/73/345527973.db2.gz BANRNLUOTJEGDV-UHFFFAOYSA-N 0 1 293.367 2.122 20 5 CEBDMN CCC[N@@H+](C)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000593733379 345529623 /nfs/dbraw/zinc/52/96/23/345529623.db2.gz SXVRBRUGNLIQPX-UHFFFAOYSA-N 0 1 252.270 2.135 20 5 CEBDMN CC(C)[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)CCC(=O)[O-] ZINC000593747073 345531898 /nfs/dbraw/zinc/53/18/98/345531898.db2.gz ROHOXLJLOHMATH-UHFFFAOYSA-N 0 1 296.323 2.159 20 5 CEBDMN O=C([O-])C[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])C1CCC1 ZINC000594526841 345643676 /nfs/dbraw/zinc/64/36/76/345643676.db2.gz FHRGTNJQVVDALQ-UHFFFAOYSA-N 0 1 282.271 2.173 20 5 CEBDMN Cc1c(C[N@H+](C)[C@H]2C[C@@H](C(=O)[O-])C2)cccc1[N+](=O)[O-] ZINC000595279583 345753338 /nfs/dbraw/zinc/75/33/38/345753338.db2.gz RVXDBSUFXHTAEK-TXEJJXNPSA-N 0 1 278.308 2.198 20 5 CEBDMN COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@@H]1C=C[C@H](CO)C1 ZINC000595023223 345729385 /nfs/dbraw/zinc/72/93/85/345729385.db2.gz XYDBOCKCIRYBJY-SDDRHHMPSA-N 0 1 292.335 2.191 20 5 CEBDMN COC1CCC(N(C)Cc2onc(C)c2[N+](=O)[O-])CC1 ZINC000595323460 345762203 /nfs/dbraw/zinc/76/22/03/345762203.db2.gz UPERLIIMQVJMBG-UHFFFAOYSA-N 0 1 283.328 2.281 20 5 CEBDMN C[C@H](O)C[C@H]1CCCN1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595396417 345773771 /nfs/dbraw/zinc/77/37/71/345773771.db2.gz LOOJCSANNHDBGS-GXFFZTMASA-N 0 1 282.315 2.469 20 5 CEBDMN CN(Cc1ccc(F)cc1[N+](=O)[O-])CC1(O)CCC1 ZINC000595437447 345782845 /nfs/dbraw/zinc/78/28/45/345782845.db2.gz IARQJLAFRLPFQI-UHFFFAOYSA-N 0 1 268.288 2.081 20 5 CEBDMN O=[N+]([O-])c1cc(F)ccc1CN(CCO)C1CCC1 ZINC000595457765 345788496 /nfs/dbraw/zinc/78/84/96/345788496.db2.gz DECYWXUMSGSHCF-UHFFFAOYSA-N 0 1 268.288 2.081 20 5 CEBDMN CO[C@@]1(C)C[C@H](NCc2onc(C)c2[N+](=O)[O-])C1(C)C ZINC000595513529 345801681 /nfs/dbraw/zinc/80/16/81/345801681.db2.gz VMWNDYZVWJNQAI-GWCFXTLKSA-N 0 1 283.328 2.184 20 5 CEBDMN CC1(C)COC[C@@H]1NCc1ccc(F)cc1[N+](=O)[O-] ZINC000595521796 345803560 /nfs/dbraw/zinc/80/35/60/345803560.db2.gz WMWGYEWGFKVVBG-LBPRGKRZSA-N 0 1 268.288 2.249 20 5 CEBDMN COc1cc([N+](=O)[O-])ccc1CN1C[C@@H]2COC[C@@]2(C)C1 ZINC000595759402 345869720 /nfs/dbraw/zinc/86/97/20/345869720.db2.gz PQLSVIRLFNZJEB-IUODEOHRSA-N 0 1 292.335 2.072 20 5 CEBDMN CCN1CCCN(c2c(Cl)cncc2[N+](=O)[O-])CC1 ZINC000596118982 345943905 /nfs/dbraw/zinc/94/39/05/345943905.db2.gz IUZCXYUMDHDKRJ-UHFFFAOYSA-N 0 1 284.747 2.175 20 5 CEBDMN CC[C@H](C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C)N(C)C ZINC000597665037 346212533 /nfs/dbraw/zinc/21/25/33/346212533.db2.gz DCJYOJRLIDBWGA-LLVKDONJSA-N 0 1 279.340 2.490 20 5 CEBDMN C/C=C/CNCc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000599005733 346445285 /nfs/dbraw/zinc/44/52/85/346445285.db2.gz QCQVQVWHFXMFDC-SNAWJCMRSA-N 0 1 266.297 2.278 20 5 CEBDMN CN(Cc1cn(C)nc1[N+](=O)[O-])[C@H]1CCC(C)(C)C1 ZINC000602646471 347121912 /nfs/dbraw/zinc/12/19/12/347121912.db2.gz ZDRRYTVYDPXIDG-NSHDSACASA-N 0 1 266.345 2.339 20 5 CEBDMN O=[N+]([O-])c1cc(C(F)(F)F)ccc1CN[C@H]1C[C@H](O)C1 ZINC000602718307 347168233 /nfs/dbraw/zinc/16/82/33/347168233.db2.gz VISJYYNRXWEYLX-MGCOHNPYSA-N 0 1 290.241 2.227 20 5 CEBDMN Cn1cc(CN2CCC(C)(C3CC3)CC2)c([N+](=O)[O-])n1 ZINC000602666291 347132311 /nfs/dbraw/zinc/13/23/11/347132311.db2.gz GQNKMSJXZFHWBV-UHFFFAOYSA-N 0 1 278.356 2.340 20 5 CEBDMN C[C@H](CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000604398196 347413783 /nfs/dbraw/zinc/41/37/83/347413783.db2.gz APTPSEJTRJXKQV-MRVPVSSYSA-N 0 1 288.307 2.247 20 5 CEBDMN CC1(C)[C@@H](O)C[C@@H]1NCc1cc([N+](=O)[O-])ccc1Cl ZINC000129654290 365883003 /nfs/dbraw/zinc/88/30/03/365883003.db2.gz XGYASAUXALFXDW-RYUDHWBXSA-N 0 1 284.743 2.497 20 5 CEBDMN CN1CCC[C@@H](NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC000609875588 347654520 /nfs/dbraw/zinc/65/45/20/347654520.db2.gz YDBBEEITMJYYTI-LLVKDONJSA-N 0 1 297.742 2.072 20 5 CEBDMN C[C@@H](NCC(=O)NC1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000610538853 347690155 /nfs/dbraw/zinc/69/01/55/347690155.db2.gz WUUJDIBFBAPILB-LLVKDONJSA-N 0 1 291.351 2.304 20 5 CEBDMN CCN1CCN(c2cc(C)ccc2[N+](=O)[O-])C[C@H]1C ZINC000611084818 347737882 /nfs/dbraw/zinc/73/78/82/347737882.db2.gz XHPOPLMZOLEZEN-GFCCVEGCSA-N 0 1 263.341 2.434 20 5 CEBDMN COc1cc(CN2CCC[C@H](CCO)C2)ccc1[N+](=O)[O-] ZINC000611515899 347788984 /nfs/dbraw/zinc/78/89/84/347788984.db2.gz QTNFZTRFXHWCFA-GFCCVEGCSA-N 0 1 294.351 2.198 20 5 CEBDMN Cc1cc(CNC(=O)Nc2ccc([N+](=O)[O-])cc2F)n[nH]1 ZINC000612613092 347907672 /nfs/dbraw/zinc/90/76/72/347907672.db2.gz HKPLPWBDROYRFO-UHFFFAOYSA-N 0 1 293.258 2.087 20 5 CEBDMN Cc1ccc([C@H](C)N[C@H]2CCCN(C)C2=O)cc1[N+](=O)[O-] ZINC000351917777 219247837 /nfs/dbraw/zinc/24/78/37/219247837.db2.gz RCYWGOILWJLMTC-AAEUAGOBSA-N 0 1 291.351 2.175 20 5 CEBDMN O=[N+]([O-])c1ccc(CN2CC(C3CCOCC3)C2)cc1 ZINC000619726641 349230724 /nfs/dbraw/zinc/23/07/24/349230724.db2.gz ZIVWIPGZVVLJLD-UHFFFAOYSA-N 0 1 276.336 2.453 20 5 CEBDMN CN(Cc1cccc([N+](=O)[O-])c1)[C@H]1CCCOC1 ZINC000352186269 219349405 /nfs/dbraw/zinc/34/94/05/219349405.db2.gz KNNMDMCLUPCHKI-ZDUSSCGKSA-N 0 1 250.298 2.206 20 5 CEBDMN COc1ccc(CN(C)[C@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000352194935 219355650 /nfs/dbraw/zinc/35/56/50/219355650.db2.gz MRFVWZCXXIFXNF-LBPRGKRZSA-N 0 1 280.324 2.214 20 5 CEBDMN C[C@H]1CN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@H](C)N1 ZINC000070076489 363028578 /nfs/dbraw/zinc/02/85/78/363028578.db2.gz MRLXEDMPQVCRAJ-IUCAKERBSA-N 0 1 297.742 2.071 20 5 CEBDMN C[C@@H]1CN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@@H](C)N1 ZINC000070076490 363028903 /nfs/dbraw/zinc/02/89/03/363028903.db2.gz MRLXEDMPQVCRAJ-RKDXNWHRSA-N 0 1 297.742 2.071 20 5 CEBDMN O=C(NCc1ccc([N+](=O)[O-])cc1)c1ccc2cncn2c1 ZINC000339813416 215348038 /nfs/dbraw/zinc/34/80/38/215348038.db2.gz GBYLTYIEIIEONE-UHFFFAOYSA-N 0 1 296.286 2.173 20 5 CEBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)C1CCC1 ZINC000072721716 363162056 /nfs/dbraw/zinc/16/20/56/363162056.db2.gz QXBQWTMYFPZCIN-UHFFFAOYSA-N 0 1 277.324 2.326 20 5 CEBDMN CCc1nc([C@H](C)Nc2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000271653359 191260689 /nfs/dbraw/zinc/26/06/89/191260689.db2.gz SORNGVWZZKRIMK-QMMMGPOBSA-N 0 1 261.285 2.448 20 5 CEBDMN Cc1c([C@@H](C)NCc2ccnn2C)cccc1[N+](=O)[O-] ZINC000152193781 188001463 /nfs/dbraw/zinc/00/14/63/188001463.db2.gz WAHVAWNUADEGLC-LLVKDONJSA-N 0 1 274.324 2.488 20 5 CEBDMN CNC(=O)c1ccc(CNCc2cccc([N+](=O)[O-])c2)cc1 ZINC000074334012 363327013 /nfs/dbraw/zinc/32/70/13/363327013.db2.gz DJXLZORSXPLWDI-UHFFFAOYSA-N 0 1 299.330 2.244 20 5 CEBDMN C[C@H](NCCn1ccc([N+](=O)[O-])n1)c1c(F)cccc1F ZINC000271750270 191305442 /nfs/dbraw/zinc/30/54/42/191305442.db2.gz KKIBFRYDGLFOEG-VIFPVBQESA-N 0 1 296.277 2.420 20 5 CEBDMN CCC[C@H]1CCCCN1C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000273589374 192219775 /nfs/dbraw/zinc/21/97/75/192219775.db2.gz OVNYWBWKEBVRQT-JTQLQIEISA-N 0 1 280.328 2.421 20 5 CEBDMN CN(Cc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000135256464 366415732 /nfs/dbraw/zinc/41/57/32/366415732.db2.gz NQCFFZIFJHTTMN-SNVBAGLBSA-N 0 1 270.716 2.469 20 5 CEBDMN C[C@@]1(C(=O)[O-])CCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000079489276 363609014 /nfs/dbraw/zinc/60/90/14/363609014.db2.gz AVOHADZVNORNSC-AWEZNQCLSA-N 0 1 278.308 2.076 20 5 CEBDMN CC(C)N1CC[C@H](N[C@@H](C)c2cccc([N+](=O)[O-])c2)C1=O ZINC000081181400 363704550 /nfs/dbraw/zinc/70/45/50/363704550.db2.gz ZGQCPAVBEMFPRM-FZMZJTMJSA-N 0 1 291.351 2.255 20 5 CEBDMN Cc1ccc([C@H](C)NC[C@H](O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000151220450 366630661 /nfs/dbraw/zinc/63/06/61/366630661.db2.gz OUDJSICTZXCZRV-KWQFWETISA-N 0 1 292.257 2.477 20 5 CEBDMN CC[C@@H]1C[N@H+](Cc2cc([O-])ccc2[N+](=O)[O-])CCCO1 ZINC000339155979 366681051 /nfs/dbraw/zinc/68/10/51/366681051.db2.gz DZKTVCXEAPBPDT-CYBMUJFWSA-N 0 1 280.324 2.301 20 5 CEBDMN CC[C@@H]1C[N@@H+](Cc2cc([O-])ccc2[N+](=O)[O-])CCCO1 ZINC000339155979 366681055 /nfs/dbraw/zinc/68/10/55/366681055.db2.gz DZKTVCXEAPBPDT-CYBMUJFWSA-N 0 1 280.324 2.301 20 5 CEBDMN C[C@H]1SCCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)[C@@H]1C ZINC000269275540 291256324 /nfs/dbraw/zinc/25/63/24/291256324.db2.gz IJERQCBXSDGJJJ-RKDXNWHRSA-N 0 1 296.348 2.266 20 5 CEBDMN Cc1sc(C(=O)NCCN2CCCCC2)cc1[N+](=O)[O-] ZINC000026189192 361637337 /nfs/dbraw/zinc/63/73/37/361637337.db2.gz PDKIGLQXYGMTQJ-UHFFFAOYSA-N 0 1 297.380 2.180 20 5 CEBDMN C[C@@H](c1ccco1)N(C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090520566 364061936 /nfs/dbraw/zinc/06/19/36/364061936.db2.gz VWQQJTFHYQOIEX-NSHDSACASA-N 0 1 291.307 2.043 20 5 CEBDMN CC[C@@H]1COCCN1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000115572976 365015301 /nfs/dbraw/zinc/01/53/01/365015301.db2.gz HTTKIKGPPPBBMV-CYBMUJFWSA-N 0 1 294.351 2.475 20 5 CEBDMN COCCOC1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000116886358 365077878 /nfs/dbraw/zinc/07/78/78/365077878.db2.gz ACCRMVRHMQVMMG-UHFFFAOYSA-N 0 1 294.351 2.222 20 5 CEBDMN Cc1cc(NCC[N@H+](C)C(C)C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000582847484 366967331 /nfs/dbraw/zinc/96/73/31/366967331.db2.gz QKTKTIYOXWSFHG-UHFFFAOYSA-N 0 1 295.339 2.354 20 5 CEBDMN CCc1[nH]nc(C(=O)N2CC[C@@H]3CCCC[C@@H]32)c1[N+](=O)[O-] ZINC000583754857 367091764 /nfs/dbraw/zinc/09/17/64/367091764.db2.gz VSKVPYNSONMWQM-ONGXEEELSA-N 0 1 292.339 2.285 20 5 CEBDMN CCOc1cc(C[N@@H+](CC(=O)[O-])C2CC2)ccc1[N+](=O)[O-] ZINC000584356422 367150419 /nfs/dbraw/zinc/15/04/19/367150419.db2.gz MPSWZOPQKIBXCP-UHFFFAOYSA-N 0 1 294.307 2.043 20 5 CEBDMN O=[N+]([O-])c1cnc(NCCc2ccc3cn[nH]c3c2)s1 ZINC000343048358 367645498 /nfs/dbraw/zinc/64/54/98/367645498.db2.gz BNFNMKBUIKVVRI-UHFFFAOYSA-N 0 1 289.320 2.004 20 5 CEBDMN CC[C@@H](C)n1[nH]c(=NC(=O)c2ccc([N+](=O)[O-])[nH]2)cc1C ZINC000343146156 367686149 /nfs/dbraw/zinc/68/61/49/367686149.db2.gz FAUKOXXEUOYXAB-MRVPVSSYSA-N 0 1 291.311 2.073 20 5 CEBDMN CC[C@H](NCc1n[nH]c(C)n1)c1cccc([N+](=O)[O-])c1 ZINC000358047807 370883806 /nfs/dbraw/zinc/88/38/06/370883806.db2.gz OFLABRHFZKRAKY-LBPRGKRZSA-N 0 1 275.312 2.262 20 5 CEBDMN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]1C ZINC000173986610 367968651 /nfs/dbraw/zinc/96/86/51/367968651.db2.gz UMVSTAGFFTWGDQ-QWRGUYRKSA-N 0 1 277.324 2.406 20 5 CEBDMN COC(=O)[C@@H]1CCN([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000266504167 284068556 /nfs/dbraw/zinc/06/85/56/284068556.db2.gz BGEIIVVTIJYKBB-GHMZBOCLSA-N 0 1 278.308 2.151 20 5 CEBDMN CCc1[nH]nc(C(=O)N([C@@H](C)C2CC2)C2CC2)c1[N+](=O)[O-] ZINC000188300195 369333650 /nfs/dbraw/zinc/33/36/50/369333650.db2.gz VDFVPQUGFKVDDI-QMMMGPOBSA-N 0 1 292.339 2.283 20 5 CEBDMN Cc1cc(Cc2nc(-c3ccc([N+](=O)[O-])s3)no2)[nH]n1 ZINC000350841655 369576449 /nfs/dbraw/zinc/57/64/49/369576449.db2.gz VMXBTQUGKXBKSI-UHFFFAOYSA-N 0 1 291.292 2.329 20 5 CEBDMN CN(CCn1cccn1)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000276282171 193270533 /nfs/dbraw/zinc/27/05/33/193270533.db2.gz GAEMKTIRZZEYKC-UHFFFAOYSA-N 0 1 278.287 2.062 20 5 CEBDMN CCOCCOCCN(C)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000191570499 369724714 /nfs/dbraw/zinc/72/47/14/369724714.db2.gz NVTLAEBQRXYQHL-UHFFFAOYSA-N 0 1 296.367 2.388 20 5 CEBDMN C[C@H](NCc1ccc([N+](=O)[O-])cc1)c1ccnn1C ZINC000192249744 369785593 /nfs/dbraw/zinc/78/55/93/369785593.db2.gz XMZYPKRXRNJLMO-JTQLQIEISA-N 0 1 260.297 2.179 20 5 CEBDMN CC(C)[C@@](C)(CO)NCc1c(F)cc([N+](=O)[O-])cc1F ZINC000352895985 369939064 /nfs/dbraw/zinc/93/90/64/369939064.db2.gz WTNJCUWTGZDVPE-CYBMUJFWSA-N 0 1 288.294 2.370 20 5 CEBDMN C[C@@H](O)C1CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC000225791589 370319511 /nfs/dbraw/zinc/31/95/11/370319511.db2.gz NQWXQJPKGSNLSB-LLVKDONJSA-N 0 1 264.325 2.188 20 5 CEBDMN CC(C)CNC(=O)[C@@H](C)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000228977398 370416592 /nfs/dbraw/zinc/41/65/92/370416592.db2.gz WUFKVRIGBOCUEM-NWDGAFQWSA-N 0 1 293.367 2.406 20 5 CEBDMN C[C@]1(O)CCCN(Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000230348874 370453633 /nfs/dbraw/zinc/45/36/33/370453633.db2.gz UPWRWDIIHCAPFM-AWEZNQCLSA-N 0 1 282.315 2.471 20 5 CEBDMN COc1ccc(CN2CCC[C@](C)(O)CC2)cc1[N+](=O)[O-] ZINC000230377426 370458457 /nfs/dbraw/zinc/45/84/57/370458457.db2.gz RIAKYEWZSSPVET-HNNXBMFYSA-N 0 1 294.351 2.340 20 5 CEBDMN Cc1c(CN[C@@H](C)c2cnn(C)c2)cccc1[N+](=O)[O-] ZINC000230640043 370461174 /nfs/dbraw/zinc/46/11/74/370461174.db2.gz OWOQMWPDXBDZSD-NSHDSACASA-N 0 1 274.324 2.488 20 5 CEBDMN C[C@@H]1CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])[C@@H]1C(=O)[O-] ZINC000235324363 370561773 /nfs/dbraw/zinc/56/17/73/370561773.db2.gz RGXSNJSRUCTUJD-MFKMUULPSA-N 0 1 278.308 2.280 20 5 CEBDMN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CC[C@@H](O)[C@H](C)C1 ZINC000249604597 371345568 /nfs/dbraw/zinc/34/55/68/371345568.db2.gz ZHRZNULIVJGQAV-UHIISALHSA-N 0 1 264.325 2.359 20 5 CEBDMN COc1cc(N2CCN(C3CCC3)CC2)ccc1[N+](=O)[O-] ZINC000266461124 372047646 /nfs/dbraw/zinc/04/76/46/372047646.db2.gz YTGVNMHUVVFVIQ-UHFFFAOYSA-N 0 1 291.351 2.278 20 5 CEBDMN Cc1ccc(CN2CCC[N@H+](C)CC2)cc1[N+](=O)[O-] ZINC000269368611 372431660 /nfs/dbraw/zinc/43/16/60/372431660.db2.gz SCLPXGRKSWAFGW-UHFFFAOYSA-N 0 1 263.341 2.041 20 5 CEBDMN CCOc1ccc([N+](=O)[O-])cc1CN(C)CC1(O)CCC1 ZINC000353482569 220107074 /nfs/dbraw/zinc/10/70/74/220107074.db2.gz FOKHGHIUUAKEKB-UHFFFAOYSA-N 0 1 294.351 2.340 20 5 CEBDMN CCOc1ccc([N+](=O)[O-])cc1CN1CC[C@@H]([C@@H](C)O)C1 ZINC000272654033 373602027 /nfs/dbraw/zinc/60/20/27/373602027.db2.gz ZYEREJDDZRIVHP-VXGBXAGGSA-N 0 1 294.351 2.196 20 5 CEBDMN CCc1nc(CN[C@H](C)c2ccccc2[N+](=O)[O-])n[nH]1 ZINC000274571622 373965737 /nfs/dbraw/zinc/96/57/37/373965737.db2.gz FQAOZEUTEZVKNE-SECBINFHSA-N 0 1 275.312 2.126 20 5 CEBDMN O=C1C[C@H]2CC[C@@H](C1)N2CCOc1ccccc1[N+](=O)[O-] ZINC000275322235 374213948 /nfs/dbraw/zinc/21/39/48/374213948.db2.gz UCZNCKUOAYNDAA-TXEJJXNPSA-N 0 1 290.319 2.170 20 5 CEBDMN CCc1[nH]nc(C(=O)N2CCC(C)=C(C)C2)c1[N+](=O)[O-] ZINC000280185839 375122953 /nfs/dbraw/zinc/12/29/53/375122953.db2.gz HKGOSJOZJUPJJZ-UHFFFAOYSA-N 0 1 278.312 2.063 20 5 CEBDMN C[C@@H]1[C@H](C)N(C(=O)Nc2cccc([N+](=O)[O-])c2)CCN1C ZINC000408084667 375404451 /nfs/dbraw/zinc/40/44/51/375404451.db2.gz SDYPZZCJACRNAD-MNOVXSKESA-N 0 1 292.339 2.151 20 5 CEBDMN CCOC(=O)[C@@H](C)[C@H](C)NCc1ccc([N+](=O)[O-])cc1F ZINC000283155260 375666078 /nfs/dbraw/zinc/66/60/78/375666078.db2.gz OSRUGBMJGVSUIC-UWVGGRQHSA-N 0 1 298.314 2.411 20 5 CEBDMN Cc1cc(CN[C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)n(C)n1 ZINC000283951727 375786536 /nfs/dbraw/zinc/78/65/36/375786536.db2.gz IAORJVUSEDCYQI-JTQLQIEISA-N 0 1 289.339 2.070 20 5 CEBDMN CN(Cc1ccc([N+](=O)[O-])cc1F)[C@@H]1CCC[C@H]1O ZINC000286584702 376003063 /nfs/dbraw/zinc/00/30/63/376003063.db2.gz QKSLOLZHGWLCRT-CHWSQXEVSA-N 0 1 268.288 2.079 20 5 CEBDMN CC(C)c1ccc(CN2CC[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000305725342 376457414 /nfs/dbraw/zinc/45/74/14/376457414.db2.gz GOPAPESMONBVLB-GFCCVEGCSA-N 0 1 264.325 2.285 20 5 CEBDMN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@@H](O)C1 ZINC000263806658 190079784 /nfs/dbraw/zinc/07/97/84/190079784.db2.gz WGTHMNLIZGWSDD-ZWNOBZJWSA-N 0 1 250.298 2.113 20 5 CEBDMN C[C@H](CO)NCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000290553454 376831477 /nfs/dbraw/zinc/83/14/77/376831477.db2.gz BAVZVSUNGCLFFZ-ZCFIWIBFSA-N 0 1 279.123 2.372 20 5 CEBDMN C[C@@H]1CSCCN1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000330413014 377121284 /nfs/dbraw/zinc/12/12/84/377121284.db2.gz BMQIZPMUCGWWJQ-SECBINFHSA-N 0 1 268.338 2.238 20 5 CEBDMN CC[C@H](N[C@@H]1COC[C@H]1OC)c1cccc([N+](=O)[O-])c1 ZINC000563126009 377098897 /nfs/dbraw/zinc/09/88/97/377098897.db2.gz QKGRVCDLTOTULO-BFHYXJOUSA-N 0 1 280.324 2.049 20 5 CEBDMN O=[N+]([O-])c1ccccc1CN1CC[C@@H](n2cccn2)C1 ZINC000291217719 377125487 /nfs/dbraw/zinc/12/54/87/377125487.db2.gz JBXVDJNCXHUIBE-CYBMUJFWSA-N 0 1 272.308 2.238 20 5 CEBDMN CC[C@]1(CO)CCC[N@@H+](Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000330456545 377141597 /nfs/dbraw/zinc/14/15/97/377141597.db2.gz PPSIZLUMBOWERJ-HNNXBMFYSA-N 0 1 294.351 2.285 20 5 CEBDMN Cc1[nH]nc(C(=O)N(C(C)C)C2CCCC2)c1[N+](=O)[O-] ZINC000264799448 190135458 /nfs/dbraw/zinc/13/54/58/190135458.db2.gz UOBBUPDJASSKFG-UHFFFAOYSA-N 0 1 280.328 2.420 20 5 CEBDMN Cn1cncc1CN[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000563416684 377216365 /nfs/dbraw/zinc/21/63/65/377216365.db2.gz IKUDUEHABHTJMX-CYBMUJFWSA-N 0 1 272.308 2.105 20 5 CEBDMN CCN(Cc1c([N+](=O)[O-])ncn1C)C1CCCCC1 ZINC000331051766 377258726 /nfs/dbraw/zinc/25/87/26/377258726.db2.gz IQELVWYQIXAMGR-UHFFFAOYSA-N 0 1 266.345 2.483 20 5 CEBDMN CC[C@H](F)CN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000331276099 377356145 /nfs/dbraw/zinc/35/61/45/377356145.db2.gz CHEFTHGESRQLBE-QWRGUYRKSA-N 0 1 282.319 2.224 20 5 CEBDMN Cc1[nH]nc(C(=O)N2CCC[C@@H]2c2ccco2)c1[N+](=O)[O-] ZINC000331447998 377433929 /nfs/dbraw/zinc/43/39/29/377433929.db2.gz WYEBWVJQCLVISL-SECBINFHSA-N 0 1 290.279 2.197 20 5 CEBDMN CC(C)n1nccc1NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000427916213 377467237 /nfs/dbraw/zinc/46/72/37/377467237.db2.gz LXSDSXZSAWHRBY-UHFFFAOYSA-N 0 1 290.279 2.330 20 5 CEBDMN Cc1cc(NCC[N@H+](C)C2CC2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000565037648 377540456 /nfs/dbraw/zinc/54/04/56/377540456.db2.gz FEXOXPQMLGYAAK-UHFFFAOYSA-N 0 1 293.323 2.108 20 5 CEBDMN C[C@H]1CN(CCOc2ccccc2[N+](=O)[O-])[C@H]1C ZINC000293336474 377526477 /nfs/dbraw/zinc/52/64/77/377526477.db2.gz GVZZFFMGAFZLKI-QWRGUYRKSA-N 0 1 250.298 2.314 20 5 CEBDMN O=[N+]([O-])c1ccc(CN2C[C@@H]3CC[C@@H](O)C[C@@H]3C2)c(F)c1 ZINC000332234396 377548449 /nfs/dbraw/zinc/54/84/49/377548449.db2.gz PLHGXVBLOCOLKE-ZKYQVNSYSA-N 0 1 294.326 2.327 20 5 CEBDMN CC(C)(C)NC(=O)CN[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000565213301 377608508 /nfs/dbraw/zinc/60/85/08/377608508.db2.gz AFURWTHVIULMFD-LBPRGKRZSA-N 0 1 291.351 2.086 20 5 CEBDMN O=[N+]([O-])c1ccccc1N1CCCC[C@@H]1c1nnc[nH]1 ZINC000294895481 378027935 /nfs/dbraw/zinc/02/79/35/378027935.db2.gz GPHUJVXUAGWXRS-GFCCVEGCSA-N 0 1 273.296 2.445 20 5 CEBDMN CCC[C@]1(COC)CCCN1Cc1c([N+](=O)[O-])ncn1C ZINC000447392823 378107044 /nfs/dbraw/zinc/10/70/44/378107044.db2.gz CKTLSGBTNOXSKG-CQSZACIVSA-N 0 1 296.371 2.109 20 5 CEBDMN C[C@]1(F)CCCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000295471809 378173018 /nfs/dbraw/zinc/17/30/18/378173018.db2.gz HWRUGDNPAMTCRU-ZDUSSCGKSA-N 0 1 282.271 2.265 20 5 CEBDMN CC[C@H](C)N1CCN(c2ccc([N+](=O)[O-])c(N)c2F)CC1 ZINC000296047136 378401803 /nfs/dbraw/zinc/40/18/03/378401803.db2.gz QFDXMBVJJAKDEX-JTQLQIEISA-N 0 1 296.346 2.237 20 5 CEBDMN Cc1[nH]nc(C(=O)N(C)C2CCC(C)CC2)c1[N+](=O)[O-] ZINC000299457552 379005915 /nfs/dbraw/zinc/00/59/15/379005915.db2.gz WOEYXEVEZNKUQE-UHFFFAOYSA-N 0 1 280.328 2.277 20 5 CEBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@H](C)C(=O)NCCF ZINC000514798372 379150877 /nfs/dbraw/zinc/15/08/77/379150877.db2.gz NXMQZFQLWVLUEW-WDEREUQCSA-N 0 1 297.330 2.028 20 5 CEBDMN Cc1c(C[N@H+](C)[C@@H](C)CC(=O)[O-])cccc1[N+](=O)[O-] ZINC000516665097 379304240 /nfs/dbraw/zinc/30/42/40/379304240.db2.gz UWZBYIQAHDAKMZ-VIFPVBQESA-N 0 1 266.297 2.198 20 5 CEBDMN Cc1[nH]nc(C(=O)N2C[C@H](C(C)C)[C@H]2C(C)C)c1[N+](=O)[O-] ZINC000456291848 379375717 /nfs/dbraw/zinc/37/57/17/379375717.db2.gz AFJWELJRAUFZDV-ZYHUDNBSSA-N 0 1 294.355 2.379 20 5 CEBDMN Cc1ccc([C@@H](C)NC(=O)[C@H]2CCCN2C)cc1[N+](=O)[O-] ZINC000267771134 190353517 /nfs/dbraw/zinc/35/35/17/190353517.db2.gz VKXXSAQQZMHEGO-DGCLKSJQSA-N 0 1 291.351 2.175 20 5 CEBDMN Cc1ccc([C@H](C)NC(=O)[C@@H]2CCCN2C)cc1[N+](=O)[O-] ZINC000267771127 190353706 /nfs/dbraw/zinc/35/37/06/190353706.db2.gz VKXXSAQQZMHEGO-AAEUAGOBSA-N 0 1 291.351 2.175 20 5 CEBDMN CCC[C@@H]1CCCN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])C1 ZINC000268225531 190388271 /nfs/dbraw/zinc/38/82/71/190388271.db2.gz RHGNHEYZKJHNIP-SNVBAGLBSA-N 0 1 280.328 2.279 20 5 CEBDMN Cc1n[nH]cc1CN(C)CCc1ccccc1[N+](=O)[O-] ZINC000289358561 197311222 /nfs/dbraw/zinc/31/12/22/197311222.db2.gz KBRYMTCEPHFNAK-UHFFFAOYSA-N 0 1 274.324 2.301 20 5 CEBDMN CO[C@H](CNCc1ccc([N+](=O)[O-])cc1F)C(C)C ZINC000350340398 219010375 /nfs/dbraw/zinc/01/03/75/219010375.db2.gz DLHFSSNZAJSTDN-CYBMUJFWSA-N 0 1 270.304 2.495 20 5 CEBDMN O=[N+]([O-])c1cnc2c(c1)CN(CCC(F)(F)F)CC2 ZINC000347796826 285184096 /nfs/dbraw/zinc/18/40/96/285184096.db2.gz NHKIKJDCJSFEQU-UHFFFAOYSA-N 0 1 275.230 2.300 20 5 CEBDMN CCc1[nH]nc(C(=O)N(CC)C[C@@H](C)CC)c1[N+](=O)[O-] ZINC000179523879 260053048 /nfs/dbraw/zinc/05/30/48/260053048.db2.gz RFJPDFUELRKXDC-VIFPVBQESA-N 0 1 282.344 2.389 20 5 CEBDMN Cn1c(Cl)cnc1CNCCc1cccc([N+](=O)[O-])c1 ZINC000281777390 195377418 /nfs/dbraw/zinc/37/74/18/195377418.db2.gz SVDRPPOZMKRGGB-UHFFFAOYSA-N 0 1 294.742 2.314 20 5 CEBDMN CCCN(CC)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000299401361 394449244 /nfs/dbraw/zinc/44/92/44/394449244.db2.gz VYYKVVNUDAXASE-UHFFFAOYSA-N 0 1 265.313 2.265 20 5 CEBDMN Cc1sc(C(=O)N(C)C[C@H]2CCCN2C)cc1[N+](=O)[O-] ZINC000421702439 394568708 /nfs/dbraw/zinc/56/87/08/394568708.db2.gz JZIHMBVZORJRHA-SNVBAGLBSA-N 0 1 297.380 2.131 20 5 CEBDMN Cc1sc(C(=O)N(C)C[C@@H]2CCCN2C)cc1[N+](=O)[O-] ZINC000421702438 394569011 /nfs/dbraw/zinc/56/90/11/394569011.db2.gz JZIHMBVZORJRHA-JTQLQIEISA-N 0 1 297.380 2.131 20 5 CEBDMN Cc1cncc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)c1 ZINC000356927125 394654568 /nfs/dbraw/zinc/65/45/68/394654568.db2.gz CVDNVTOLFLQWNU-UHFFFAOYSA-N 0 1 273.248 2.256 20 5 CEBDMN CCOc1cc(NCCN2CCC2)ccc1[N+](=O)[O-] ZINC000356740044 394598913 /nfs/dbraw/zinc/59/89/13/394598913.db2.gz JNCUPSCLCOKZJE-UHFFFAOYSA-N 0 1 265.313 2.111 20 5 CEBDMN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCN[C@H](C)C1 ZINC000415580347 394945043 /nfs/dbraw/zinc/94/50/43/394945043.db2.gz LUDZANVHKAYPFJ-LLVKDONJSA-N 0 1 292.339 2.037 20 5 CEBDMN Cc1[nH]nc(C(=O)Nc2ccc(Cl)cc2O)c1[N+](=O)[O-] ZINC000436734510 395150349 /nfs/dbraw/zinc/15/03/49/395150349.db2.gz AGSSFSYZNXARIM-UHFFFAOYSA-N 0 1 296.670 2.238 20 5 CEBDMN C[C@@H]1CCN(Cc2c([N+](=O)[O-])ncn2C)C[C@@H](C)C1 ZINC000408437190 395300178 /nfs/dbraw/zinc/30/01/78/395300178.db2.gz QKDBTCMUTJYQGZ-MNOVXSKESA-N 0 1 266.345 2.196 20 5 CEBDMN CCn1nc(C)c([N+](=O)[O-])c1N[C@@H](C)Cc1cc(C)n[nH]1 ZINC000192698121 395390362 /nfs/dbraw/zinc/39/03/62/395390362.db2.gz VMBRCRHAAKFMFT-QMMMGPOBSA-N 0 1 292.343 2.194 20 5 CEBDMN C[C@H](N[C@@H]1CCCc2ccc([N+](=O)[O-])cc21)C(=O)N(C)C ZINC000193353471 395407279 /nfs/dbraw/zinc/40/72/79/395407279.db2.gz VXSPWAGJKVFCIY-IINYFYTJSA-N 0 1 291.351 2.039 20 5 CEBDMN Cc1noc([C@@H](C)N(C)Cc2cc(O)ccc2[N+](=O)[O-])n1 ZINC000565783052 395484168 /nfs/dbraw/zinc/48/41/68/395484168.db2.gz KVTSMBFRSGYSAK-MRVPVSSYSA-N 0 1 292.295 2.185 20 5 CEBDMN CC[C@H]1[C@H](CO)CCN1Cc1c(F)cccc1[N+](=O)[O-] ZINC000451256074 395599827 /nfs/dbraw/zinc/59/98/27/395599827.db2.gz OIUBJVKTVCVFBP-GWCFXTLKSA-N 0 1 282.315 2.327 20 5 CEBDMN COc1cc(CNc2ccncc2F)cc([N+](=O)[O-])c1O ZINC000192150746 153202588 /nfs/dbraw/zinc/20/25/88/153202588.db2.gz IWMVCJPAUBIMMP-UHFFFAOYSA-N 0 1 293.254 2.455 20 5 CEBDMN C[C@H](Nc1ccc([N+](=O)[O-])cc1F)c1nnc[nH]1 ZINC000219649403 153301768 /nfs/dbraw/zinc/30/17/68/153301768.db2.gz HNJGTQVUAQLJQR-LURJTMIESA-N 0 1 251.221 2.025 20 5 CEBDMN C[C@H](C(=O)[O-])[N@@H+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000263413002 154078641 /nfs/dbraw/zinc/07/86/41/154078641.db2.gz MDDBNDBOXJSOOF-BREXMAIKSA-N 0 1 264.281 2.013 20 5 CEBDMN CC(C)c1ccc(C[NH+]2CC(C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000263469314 154099882 /nfs/dbraw/zinc/09/98/82/154099882.db2.gz DFLQOSUCMSWLLL-UHFFFAOYSA-N 0 1 278.308 2.235 20 5 CEBDMN COc1ccc(CN2CCC3(CCO3)CC2)cc1[N+](=O)[O-] ZINC000367073012 156124014 /nfs/dbraw/zinc/12/40/14/156124014.db2.gz QMNTUYCHWJMESB-UHFFFAOYSA-N 0 1 292.335 2.358 20 5 CEBDMN O=C(N[C@@H]1CC[C@H](c2ccccc2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000367486588 156192994 /nfs/dbraw/zinc/19/29/94/156192994.db2.gz SOYIKMMWMWOEJE-REWJHTLYSA-N 0 1 274.320 2.104 20 5 CEBDMN C[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])[C@@H]1CC2CCC1CC2 ZINC000519171947 265357265 /nfs/dbraw/zinc/35/72/65/265357265.db2.gz QAHCIGGWFCLUHM-PMUOWJKOSA-N 0 1 292.339 2.263 20 5 CEBDMN Cc1nc([C@H](C)N[C@@H](C)c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000392369967 270340235 /nfs/dbraw/zinc/34/02/35/270340235.db2.gz KMLODGDDOKIBSU-IUCAKERBSA-N 0 1 275.312 2.433 20 5 CEBDMN Cc1nc([C@H](C)N[C@@H](C)c2ccccc2[N+](=O)[O-])n[nH]1 ZINC000392378306 270340748 /nfs/dbraw/zinc/34/07/48/270340748.db2.gz QDOLVGFPVGMTBU-IUCAKERBSA-N 0 1 275.312 2.433 20 5 CEBDMN Cc1nc([C@H](C)N[C@H](C)c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000392369965 270340800 /nfs/dbraw/zinc/34/08/00/270340800.db2.gz KMLODGDDOKIBSU-BDAKNGLRSA-N 0 1 275.312 2.433 20 5 CEBDMN C[C@H]1CC[C@@H](C(=O)[O-])C[N@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000397092596 270351831 /nfs/dbraw/zinc/35/18/31/270351831.db2.gz XANMHVYZJZJYOU-WCBMZHEXSA-N 0 1 284.337 2.341 20 5 CEBDMN Cc1ccc([N+](=O)[O-])c(N2CC[C@H](c3nc[nH]n3)C2)c1 ZINC000425275526 271151523 /nfs/dbraw/zinc/15/15/23/271151523.db2.gz ALOOGWZZOCEKPC-JTQLQIEISA-N 0 1 273.296 2.015 20 5 CEBDMN COc1cc([N+](=O)[O-])ccc1CN(C)C[C@@H]1CCC[C@H]1O ZINC000430207699 271363230 /nfs/dbraw/zinc/36/32/30/271363230.db2.gz RIYPLCKAAXHACC-SMDDNHRTSA-N 0 1 294.351 2.196 20 5 CEBDMN COc1cc([N+](=O)[O-])ccc1CN1CCCC[C@@H]1[C@@H](C)O ZINC000430219847 271363666 /nfs/dbraw/zinc/36/36/66/271363666.db2.gz NZZDXMDQTAKUKU-BXUZGUMPSA-N 0 1 294.351 2.339 20 5 CEBDMN COc1cc(F)c([N+](=O)[O-])c(N2CCN(C(C)C)CC2)c1 ZINC000301372384 274095797 /nfs/dbraw/zinc/09/57/97/274095797.db2.gz VSZMPFKPCRQUKV-UHFFFAOYSA-N 0 1 297.330 2.273 20 5 CEBDMN COCCCC[N@@H+](C)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000418128953 277203968 /nfs/dbraw/zinc/20/39/68/277203968.db2.gz CQXBIMYCCNXWIH-UHFFFAOYSA-N 0 1 268.313 2.159 20 5 CEBDMN CC(C)N1C[C@@H](N[C@@H](C)c2ccc([N+](=O)[O-])cc2)CC1=O ZINC000271535148 277641124 /nfs/dbraw/zinc/64/11/24/277641124.db2.gz SPVGHQNZABCYJA-AAEUAGOBSA-N 0 1 291.351 2.255 20 5 CEBDMN Cc1cnc(N2CCN(C)C[C@H]2C(C)C)c([N+](=O)[O-])c1 ZINC000301458454 279015334 /nfs/dbraw/zinc/01/53/34/279015334.db2.gz SUVCPRRWSHPPCC-ZDUSSCGKSA-N 0 1 278.356 2.075 20 5 CEBDMN CC(C)CNC(=O)[C@@H](C)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000079309492 279687541 /nfs/dbraw/zinc/68/75/41/279687541.db2.gz QIWWERSQQTXAQF-VXGBXAGGSA-N 0 1 293.367 2.406 20 5 CEBDMN Cc1cccc(N2CCN(C(C)C)CC2)c1[N+](=O)[O-] ZINC000302515625 281227968 /nfs/dbraw/zinc/22/79/68/281227968.db2.gz VINHWGHXBCILMN-UHFFFAOYSA-N 0 1 263.341 2.434 20 5 CEBDMN CC(C)(C)N1CC[C@H](NCc2ccc([N+](=O)[O-])cc2)C1=O ZINC000515165255 297565273 /nfs/dbraw/zinc/56/52/73/297565273.db2.gz RPYGZVXAYOGFLQ-ZDUSSCGKSA-N 0 1 291.351 2.084 20 5 CEBDMN Cc1ccc(CCNC(=O)c2cc(O)cc([N+](=O)[O-])c2)o1 ZINC000543959435 298313986 /nfs/dbraw/zinc/31/39/86/298313986.db2.gz AZQAPGFZLIOCHJ-UHFFFAOYSA-N 0 1 290.275 2.174 20 5 CEBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCc1cnn(C)c1 ZINC000531957208 313334948 /nfs/dbraw/zinc/33/49/48/313334948.db2.gz GTAICGUMBISTLA-LLVKDONJSA-N 0 1 274.324 2.488 20 5 CEBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@H]1CCCN(C)C1=O ZINC000532248273 313343946 /nfs/dbraw/zinc/34/39/46/313343946.db2.gz SNFXJDMAMBLGRZ-FZMZJTMJSA-N 0 1 291.351 2.175 20 5 CEBDMN COc1cccc([N+](=O)[O-])c1N1CCN(C)[C@@H](C(C)C)C1 ZINC000581260493 322382346 /nfs/dbraw/zinc/38/23/46/322382346.db2.gz IXQZFTFMDRNFTM-CYBMUJFWSA-N 0 1 293.367 2.380 20 5 CEBDMN C[C@@H]1CC[C@H](C(=O)[O-])C[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000397492193 329357231 /nfs/dbraw/zinc/35/72/31/329357231.db2.gz MQVLUBIEGNQLGY-PWSUYJOCSA-N 0 1 278.308 2.280 20 5 CEBDMN Cc1c([C@@H](C)N[C@H](C)C(=O)N(C)C)cccc1[N+](=O)[O-] ZINC000357839893 533948201 /nfs/dbraw/zinc/94/82/01/533948201.db2.gz ZKWJRVNYAUJBML-GHMZBOCLSA-N 0 1 279.340 2.031 20 5 CEBDMN CCN(CCn1cc([N+](=O)[O-])cn1)Cc1occc1C ZINC000412029228 528612115 /nfs/dbraw/zinc/61/21/15/528612115.db2.gz TWKLALUKGJSNER-UHFFFAOYSA-N 0 1 278.312 2.215 20 5 CEBDMN CC(C)N(C)C(=O)CN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000411464269 528798633 /nfs/dbraw/zinc/79/86/33/528798633.db2.gz XVELTOIYLITXES-LLVKDONJSA-N 0 1 279.340 2.112 20 5 CEBDMN O=C(OC[C@H]1CC=CCC1)c1ccc([N+](=O)[O-])[nH]1 ZINC000727634936 574453863 /nfs/dbraw/zinc/45/38/63/574453863.db2.gz RQKDTWZZEIYNNR-VIFPVBQESA-N 0 1 250.254 2.436 20 5 CEBDMN CCc1cc(CNc2nc3ccccn3c2[N+](=O)[O-])n[nH]1 ZINC000732804550 574631376 /nfs/dbraw/zinc/63/13/76/574631376.db2.gz PETYQEMYEDOMRF-UHFFFAOYSA-N 0 1 286.295 2.140 20 5 CEBDMN C[C@H](C[N@@H+](Cc1cc(F)ccc1[N+](=O)[O-])C1CC1)C(=O)[O-] ZINC000736583153 574792866 /nfs/dbraw/zinc/79/28/66/574792866.db2.gz KZLHCZFSUXJTHA-SECBINFHSA-N 0 1 296.298 2.419 20 5 CEBDMN C[C@H](C(=O)[O-])[N@@H+](C)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000093633522 597470130 /nfs/dbraw/zinc/47/01/30/597470130.db2.gz QRXXPJPPABALIZ-SSDOTTSWSA-N 0 1 272.688 2.153 20 5 CEBDMN CCO[C@H]1CCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000932971897 623430368 /nfs/dbraw/zinc/43/03/68/623430368.db2.gz ASWWAKXCQKKZTG-LBPRGKRZSA-N 0 1 250.298 2.206 20 5 CEBDMN CCNCc1nc(-c2cccc([N+](=O)[O-])c2C)no1 ZINC000843237777 625039212 /nfs/dbraw/zinc/03/92/12/625039212.db2.gz GOAQACOPOSEWFM-UHFFFAOYSA-N 0 1 262.269 2.063 20 5 CEBDMN O=C(CCCF)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000850194900 625746373 /nfs/dbraw/zinc/74/63/73/625746373.db2.gz UXMXUAIYDXQHPY-UHFFFAOYSA-N 0 1 257.217 2.093 20 5 CEBDMN CSc1cccc(C)c1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000840425206 634654662 /nfs/dbraw/zinc/65/46/62/634654662.db2.gz XADWHXHOTUFXHW-RKDXNWHRSA-N 0 1 266.322 2.321 20 5 CEBDMN C[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2Cl)CCN1C ZINC000104128413 628580074 /nfs/dbraw/zinc/58/00/74/628580074.db2.gz SFZPALPRTRKJAP-SNVBAGLBSA-N 0 1 283.759 2.384 20 5 CEBDMN C[C@@H](COC(=O)c1ccc([N+](=O)[O-])[nH]1)[C@H]1CCCCO1 ZINC000893505629 628660041 /nfs/dbraw/zinc/66/00/41/628660041.db2.gz ORVZLBVIEOCCGN-GXSJLCMTSA-N 0 1 282.296 2.285 20 5 CEBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@H]1C(=O)NCC1(C)C ZINC000931653081 628747979 /nfs/dbraw/zinc/74/79/79/628747979.db2.gz JHMKUITZJOENGR-MFKMUULPSA-N 0 1 291.351 2.078 20 5 CEBDMN Cc1nn(CN2C[C@H](C)[C@H](C)[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000841693222 628923909 /nfs/dbraw/zinc/92/39/09/628923909.db2.gz UBPFATMSPKPRIP-QXEWZRGKSA-N 0 1 266.345 2.342 20 5 CEBDMN Cc1nc(COC(=O)c2ccc([N+](=O)[O-])cc2Cl)n[nH]1 ZINC000795251263 629498764 /nfs/dbraw/zinc/49/87/64/629498764.db2.gz MLEHACBWWRWZKN-UHFFFAOYSA-N 0 1 296.670 2.032 20 5 CEBDMN CCN1[C@H](C)CN(c2nc(C)ccc2[N+](=O)[O-])C[C@@H]1C ZINC000895100159 629895338 /nfs/dbraw/zinc/89/53/38/629895338.db2.gz RIKNKEPHJROEFK-TXEJJXNPSA-N 0 1 278.356 2.217 20 5 CEBDMN CC1=NO[C@H](CNCc2cccc([N+](=O)[O-])c2C)C1 ZINC000895302957 630094623 /nfs/dbraw/zinc/09/46/23/630094623.db2.gz XYPYRFHYNIILMM-LBPRGKRZSA-N 0 1 263.297 2.158 20 5 CEBDMN O=[N+]([O-])c1ccsc1NC[C@@H]1CCN1C1CCOCC1 ZINC000896524964 630589098 /nfs/dbraw/zinc/58/90/98/630589098.db2.gz ZWCKPAKFSJXYNU-NSHDSACASA-N 0 1 297.380 2.322 20 5 CEBDMN CC[C@@]1(O)CCN(Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000801546299 631286661 /nfs/dbraw/zinc/28/66/61/631286661.db2.gz JBJGTNGTOZVJHX-CYBMUJFWSA-N 0 1 268.288 2.081 20 5 CEBDMN C[C@H]1C[C@@H](C(=O)[O-])C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000263389663 631416710 /nfs/dbraw/zinc/41/67/10/631416710.db2.gz YMIHPXZFKXEDRO-WCQYABFASA-N 0 1 292.335 2.180 20 5 CEBDMN Cc1nc([C@H](C)OC(=O)c2ccc([N+](=O)[O-])s2)n[nH]1 ZINC000839986660 631501686 /nfs/dbraw/zinc/50/16/86/631501686.db2.gz YIZZZMBPAGDNNT-YFKPBYRVSA-N 0 1 282.281 2.001 20 5 CEBDMN CCn1ncc(CNC[C@H](C)c2ccccc2[N+](=O)[O-])n1 ZINC000897464837 631532273 /nfs/dbraw/zinc/53/22/73/631532273.db2.gz PEVGJAJZKOLSAE-NSHDSACASA-N 0 1 289.339 2.100 20 5 CEBDMN Cc1nn(CN2CC[C@H](C3CCC3)C2)c(C)c1[N+](=O)[O-] ZINC000840188920 632156948 /nfs/dbraw/zinc/15/69/48/632156948.db2.gz NPJWLJODJTUCGI-ZDUSSCGKSA-N 0 1 278.356 2.488 20 5 CEBDMN Cn1cccc1[C@H]1CCCCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840254033 632531749 /nfs/dbraw/zinc/53/17/49/632531749.db2.gz YEQKNHLLUBWPSR-MRVWCRGKSA-N 0 1 291.351 2.134 20 5 CEBDMN Cc1csc(CNC[C@@H](O)c2cccc([N+](=O)[O-])c2)n1 ZINC000818948837 634014224 /nfs/dbraw/zinc/01/42/24/634014224.db2.gz FYIXMCSYXOLLEO-GFCCVEGCSA-N 0 1 293.348 2.183 20 5 CEBDMN Cc1cnc(CNC[C@H](O)c2cccc([N+](=O)[O-])c2)s1 ZINC000819109244 634070007 /nfs/dbraw/zinc/07/00/07/634070007.db2.gz JCANCNGBCQYMRX-LBPRGKRZSA-N 0 1 293.348 2.183 20 5 CEBDMN O=C([O-])c1ccc([N+](=O)[O-])c(C[NH+]2CCC(F)CC2)c1 ZINC000903607564 635174390 /nfs/dbraw/zinc/17/43/90/635174390.db2.gz KALUDPLVJQAXIX-UHFFFAOYSA-N 0 1 282.271 2.227 20 5 CEBDMN C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H]2[C@@H](C1)[C@H]2C(=O)[O-] ZINC000903627932 635190316 /nfs/dbraw/zinc/19/03/16/635190316.db2.gz UZBOYVGYKZOUKP-LEKOTGGOSA-N 0 1 290.319 2.308 20 5 CEBDMN CC(C)(C)OC(=O)c1ccc(CNCC[N+](=O)[O-])cc1 ZINC000905138195 635842476 /nfs/dbraw/zinc/84/24/76/635842476.db2.gz XDQRCTDSLFSEQO-UHFFFAOYSA-N 0 1 280.324 2.008 20 5 CEBDMN O=[N+]([O-])CCNCc1cccc(COCC(F)(F)F)c1 ZINC000905178746 635851451 /nfs/dbraw/zinc/85/14/51/635851451.db2.gz DFPQSDAUIKRCRW-UHFFFAOYSA-N 0 1 292.257 2.132 20 5 CEBDMN CC(C)c1nc(CNc2ccc(N)cc2[N+](=O)[O-])n[nH]1 ZINC000828511589 636614200 /nfs/dbraw/zinc/61/42/00/636614200.db2.gz QHOSMTSIHAEURV-UHFFFAOYSA-N 0 1 276.300 2.031 20 5 CEBDMN O=C(OCc1cc(O)ccc1[N+](=O)[O-])C1(O)CCCCC1 ZINC000837405514 639217538 /nfs/dbraw/zinc/21/75/38/639217538.db2.gz OMHHVYKUYZXCBC-UHFFFAOYSA-N 0 1 295.291 2.039 20 5 CEBDMN CC(=O)CCCC(=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837646041 639324102 /nfs/dbraw/zinc/32/41/02/639324102.db2.gz LJLBMIAICWPLGI-UHFFFAOYSA-N 0 1 281.264 2.103 20 5 CEBDMN CO[C@@H](C(=O)OCc1cc(O)ccc1[N+](=O)[O-])C(C)C ZINC000837645978 639324822 /nfs/dbraw/zinc/32/48/22/639324822.db2.gz KEUVQYSRXIXDDG-GFCCVEGCSA-N 0 1 283.280 2.015 20 5 CEBDMN Cc1c(CN[C@H](C)C(=O)NC(C)(C)C)cccc1[N+](=O)[O-] ZINC000229027154 639672490 /nfs/dbraw/zinc/67/24/90/639672490.db2.gz NVOZUESSBPBYTJ-LLVKDONJSA-N 0 1 293.367 2.296 20 5 CEBDMN CC(C)[C@@H](C)N(CC(F)(F)F)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000841110475 639683521 /nfs/dbraw/zinc/68/35/21/639683521.db2.gz VUNDRCWMMWBUDW-IWSPIJDZSA-N 0 1 282.262 2.087 20 5 CEBDMN O=C(Oc1ccc(OC(F)(F)F)cc1)[C@@H]1CC1[N+](=O)[O-] ZINC000841134127 639687087 /nfs/dbraw/zinc/68/70/87/639687087.db2.gz LRUIFSNVWSKNRU-RKDXNWHRSA-N 0 1 291.181 2.156 20 5 CEBDMN CC[C@@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])c1cccc(OC)c1 ZINC000841164635 639696149 /nfs/dbraw/zinc/69/61/49/639696149.db2.gz KAVYFSXDJXJIEJ-JHJVBQTASA-N 0 1 279.292 2.355 20 5 CEBDMN C[C@@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccc(Cl)cn1 ZINC000841192002 639702921 /nfs/dbraw/zinc/70/29/21/639702921.db2.gz LNLWGYBGQRQXSM-GTNGPMTGSA-N 0 1 270.672 2.004 20 5 CEBDMN CO[C@@H](CC(C)C)C(=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000842113983 639959802 /nfs/dbraw/zinc/95/98/02/639959802.db2.gz KJZFHASDWDKVKF-ZDUSSCGKSA-N 0 1 297.307 2.405 20 5 CEBDMN C[C@@H]1CCN1C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC000914155001 640244318 /nfs/dbraw/zinc/24/43/18/640244318.db2.gz RERUCVCCVDESLY-SECBINFHSA-N 0 1 286.291 2.219 20 5 CEBDMN Cc1ccc(-c2noc(CNCC3CC3)n2)cc1[N+](=O)[O-] ZINC000843178634 640329093 /nfs/dbraw/zinc/32/90/93/640329093.db2.gz IKWYJLVEZPWRFV-UHFFFAOYSA-N 0 1 288.307 2.453 20 5 CEBDMN O=C(NCc1cccc2ccsc21)[C@@H]1CC1[N+](=O)[O-] ZINC000844649453 640794599 /nfs/dbraw/zinc/79/45/99/640794599.db2.gz IYXMQWLGUSLPGP-GHMZBOCLSA-N 0 1 276.317 2.183 20 5 CEBDMN O=C(Nc1cc(C(F)F)ccc1F)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000844862126 640853410 /nfs/dbraw/zinc/85/34/10/640853410.db2.gz LARUQYVJAQFBBZ-HZGVNTEJSA-N 0 1 274.198 2.367 20 5 CEBDMN Cc1cccc2c1CCN(CCn1cc([N+](=O)[O-])cn1)C2 ZINC000174847643 640902363 /nfs/dbraw/zinc/90/23/63/640902363.db2.gz YFILRPJKWZFPHN-UHFFFAOYSA-N 0 1 286.335 2.158 20 5 CEBDMN Cc1nn(CN2CCC[C@H](C)CC2)c(C)c1[N+](=O)[O-] ZINC000194623950 640957034 /nfs/dbraw/zinc/95/70/34/640957034.db2.gz BEKMVXVBTMVGGT-JTQLQIEISA-N 0 1 266.345 2.488 20 5 CEBDMN O=[N+]([O-])c1ccccc1CNC[C@@H](O)c1ccco1 ZINC000070142643 641636008 /nfs/dbraw/zinc/63/60/08/641636008.db2.gz GOAKGALSPBIDAI-GFCCVEGCSA-N 0 1 262.265 2.011 20 5 CEBDMN O=[N+]([O-])c1cnn(C2CC(Nc3cc4c(cn3)CCC4)C2)c1 ZINC000877553367 650784216 /nfs/dbraw/zinc/78/42/16/650784216.db2.gz PISRJNZEBOEMLY-UHFFFAOYSA-N 0 1 299.334 2.491 20 5 CEBDMN O=[N+]([O-])c1ccc(F)cc1CN1CCC[C@@](O)(C2CC2)C1 ZINC000852502546 643447586 /nfs/dbraw/zinc/44/75/86/643447586.db2.gz JHPCQIIIIYQGTN-HNNXBMFYSA-N 0 1 294.326 2.471 20 5 CEBDMN CC[C@H](C(=O)OCc1onc(C)c1[N+](=O)[O-])N(CC)CC ZINC000853899450 643936764 /nfs/dbraw/zinc/93/67/64/643936764.db2.gz MNLIIPQQXAOEBV-SNVBAGLBSA-N 0 1 299.327 2.055 20 5 CEBDMN COc1ccc([C@H]2CCCN2C(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC000839483415 644239745 /nfs/dbraw/zinc/23/97/45/644239745.db2.gz DZWOHHCYWWNDIY-MGPQQGTHSA-N 0 1 290.319 2.024 20 5 CEBDMN CC(C)[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccccc1F ZINC000855532181 644380148 /nfs/dbraw/zinc/38/01/48/644380148.db2.gz WJACHKNQVCFNHL-RAIGVLPGSA-N 0 1 280.299 2.304 20 5 CEBDMN Cc1ccc2oc(CNC(=O)[C@@H]3CC3[N+](=O)[O-])cc2c1 ZINC000855770726 644470985 /nfs/dbraw/zinc/47/09/85/644470985.db2.gz VSBCHJOWESYYCI-VXGBXAGGSA-N 0 1 274.276 2.023 20 5 CEBDMN CC[C@H]1c2ccsc2CCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839648821 644762237 /nfs/dbraw/zinc/76/22/37/644762237.db2.gz BLFIATVZVGXTOD-OUAUKWLOSA-N 0 1 280.349 2.249 20 5 CEBDMN Cc1cc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])ccc1OC(C)C ZINC000839690949 644775191 /nfs/dbraw/zinc/77/51/91/644775191.db2.gz KWPJLEMNTMUDJF-VXGBXAGGSA-N 0 1 278.308 2.386 20 5 CEBDMN O=C(N[C@H](CC1CC1)c1ccccc1)[C@@H]1CC1[N+](=O)[O-] ZINC000839690462 644775498 /nfs/dbraw/zinc/77/54/98/644775498.db2.gz AUDOPKUHENKAIY-MGPQQGTHSA-N 0 1 274.320 2.309 20 5 CEBDMN CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839694046 644776270 /nfs/dbraw/zinc/77/62/70/644776270.db2.gz XGIYMONAZCRDOV-RRFJBIMHSA-N 0 1 290.363 2.440 20 5 CEBDMN C[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1cc2ccccc2o1 ZINC000839733948 644785639 /nfs/dbraw/zinc/78/56/39/644785639.db2.gz NXPLIZATJHVQCZ-FBIMIBRVSA-N 0 1 274.276 2.275 20 5 CEBDMN CC1(C)C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])c2ccccc21 ZINC000839707232 644787609 /nfs/dbraw/zinc/78/76/09/644787609.db2.gz CZLOJDDPTAQCOD-KGYLQXTDSA-N 0 1 274.320 2.190 20 5 CEBDMN CC[C@H]1Cc2ccccc2CN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839724405 644792340 /nfs/dbraw/zinc/79/23/40/644792340.db2.gz HTVLQQRIHOETNP-BFHYXJOUSA-N 0 1 274.320 2.015 20 5 CEBDMN CON(C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-])C1CCCC1 ZINC000757621155 644826941 /nfs/dbraw/zinc/82/69/41/644826941.db2.gz QBASUOPFDHNPTL-UHFFFAOYSA-N 0 1 296.327 2.388 20 5 CEBDMN O=C(OCCC(F)(F)F)c1ccc([N+](=O)[O-])[nH]1 ZINC000768827366 646170827 /nfs/dbraw/zinc/17/08/27/646170827.db2.gz SSLYCMQVONFZSS-UHFFFAOYSA-N 0 1 252.148 2.032 20 5 CEBDMN C[C@@H](Nc1nc2ccc([N+](=O)[O-])cc2s1)c1nnc[nH]1 ZINC000769249300 646229886 /nfs/dbraw/zinc/22/98/86/646229886.db2.gz FVSCUHZLBZLEGK-ZCFIWIBFSA-N 0 1 290.308 2.496 20 5 CEBDMN O=C(NOC1CCCCC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000779321323 647311373 /nfs/dbraw/zinc/31/13/73/647311373.db2.gz ISKJSKIQYRUURN-UHFFFAOYSA-N 0 1 280.280 2.295 20 5 CEBDMN CC[C@@H]1C[C@@H](C)CN1Cn1cc([N+](=O)[O-])c(C)n1 ZINC000779863402 647366586 /nfs/dbraw/zinc/36/65/86/647366586.db2.gz OQJKOONOFXUGGX-MWLCHTKSSA-N 0 1 252.318 2.178 20 5 CEBDMN C[C@@](N)(C(=O)NCCCC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000867945642 647997220 /nfs/dbraw/zinc/99/72/20/647997220.db2.gz ZGGXXAVNJRQHEK-HNNXBMFYSA-N 0 1 291.351 2.075 20 5 CEBDMN C[C@@](N)(C(=O)NCC1(C)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000867947941 647997929 /nfs/dbraw/zinc/99/79/29/647997929.db2.gz MSMWRZDADNXFNA-HNNXBMFYSA-N 0 1 291.351 2.075 20 5 CEBDMN C[C@@H]1C[C@H](C(=O)OCc2cc(O)ccc2[N+](=O)[O-])[C@@H](C)O1 ZINC000869652635 648551323 /nfs/dbraw/zinc/55/13/23/648551323.db2.gz WAFIHXWNSYTXNK-LNLATYFQSA-N 0 1 295.291 2.157 20 5 CEBDMN C[C@H](NCC1(CC(N)=O)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872079999 649265715 /nfs/dbraw/zinc/26/57/15/649265715.db2.gz MCUPALFIYRMEAQ-VIFPVBQESA-N 0 1 295.314 2.040 20 5 CEBDMN Cc1c(CNCc2n[nH]c(C(C)C)n2)cccc1[N+](=O)[O-] ZINC000873129511 649565216 /nfs/dbraw/zinc/56/52/16/649565216.db2.gz PNULRXNAOGJSHX-UHFFFAOYSA-N 0 1 289.339 2.435 20 5 CEBDMN O=[N+]([O-])c1ccc([O-])cc1C[N@H+]1CCC[C@H](CF)C1 ZINC000880237063 651406179 /nfs/dbraw/zinc/40/61/79/651406179.db2.gz PJHUAWYCVNUMFA-SNVBAGLBSA-N 0 1 268.288 2.482 20 5 CEBDMN COCC(C)(C)NCc1cc(F)ccc1[N+](=O)[O-] ZINC000134308801 652813500 /nfs/dbraw/zinc/81/35/00/652813500.db2.gz VCWXTXJWAKOPOT-UHFFFAOYSA-N 0 1 256.277 2.249 20 5 CEBDMN O=[N+]([O-])c1ccc(O[C@H]2CN3CCC2CC3)c(F)c1 ZINC001225942741 805385282 /nfs/dbraw/zinc/38/52/82/805385282.db2.gz VKMWVHMBMOECSF-ZDUSSCGKSA-N 0 1 266.272 2.207 20 5 CEBDMN NCc1nccnc1Nc1ccc2ncccc2c1[N+](=O)[O-] ZINC001171447380 815117568 /nfs/dbraw/zinc/11/75/68/815117568.db2.gz COXQQVRLOLJWIX-UHFFFAOYSA-N 0 1 296.290 2.135 20 5 CEBDMN C[C@H]1C[N@H+](Cc2csc([N+](=O)[O-])c2)CC[C@@H]1NC(=O)[O-] ZINC000739185569 810159261 /nfs/dbraw/zinc/15/92/61/810159261.db2.gz AKNYSGBDBSPGOM-WPRPVWTQSA-N 0 1 299.352 2.134 20 5 CEBDMN C[C@H]1C[N@@H+](Cc2csc([N+](=O)[O-])c2)CC[C@@H]1NC(=O)[O-] ZINC000739185569 810159263 /nfs/dbraw/zinc/15/92/63/810159263.db2.gz AKNYSGBDBSPGOM-WPRPVWTQSA-N 0 1 299.352 2.134 20 5 CEBDMN CCCOC[C@@H](C)Oc1nc(C)cc(O)c1[N+](=O)[O-] ZINC001231258810 810610836 /nfs/dbraw/zinc/61/08/36/810610836.db2.gz CSZFYFFWCAKVHU-SECBINFHSA-N 0 1 270.285 2.198 20 5 CEBDMN CCC(C)(C)C(=O)NCCNCc1csc([N+](=O)[O-])c1 ZINC001133164252 813004133 /nfs/dbraw/zinc/00/41/33/813004133.db2.gz UYZFXQPWLSSMKE-UHFFFAOYSA-N 0 1 299.396 2.298 20 5 CEBDMN Cc1ccc(C[N@H+](C)C[C@@H](C)C(=O)[O-])cc1[N+](=O)[O-] ZINC000714019923 814881826 /nfs/dbraw/zinc/88/18/26/814881826.db2.gz MMJKRECCGBFIKM-SNVBAGLBSA-N 0 1 266.297 2.056 20 5 CEBDMN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CCCC12COC2 ZINC001173228456 815631256 /nfs/dbraw/zinc/63/12/56/815631256.db2.gz XDLQRHOMRMQHQT-LBPRGKRZSA-N 0 1 276.336 2.391 20 5 CEBDMN Cc1[nH]nc(CNC(=O)c2ccc([N+](=O)[O-])cc2C)c1C ZINC001176858603 816491929 /nfs/dbraw/zinc/49/19/29/816491929.db2.gz FGCBYEAIOCIMCB-UHFFFAOYSA-N 0 1 288.307 2.173 20 5 CEBDMN Cc1[nH]ncc1CNC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000337558040 214156864 /nfs/dbraw/zinc/15/68/64/214156864.db2.gz YLPGETBXMWVEIM-UHFFFAOYSA-N 0 1 289.295 2.256 20 5 CEBDMN CCCNC(=O)[C@H](C)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000036959502 361875017 /nfs/dbraw/zinc/87/50/17/361875017.db2.gz IZYJSACYMIYFLE-NEPJUHHUSA-N 0 1 293.367 2.469 20 5 CEBDMN NC1(c2noc(-c3cccc([N+](=O)[O-])c3)n2)CCCC1 ZINC000041152867 362022804 /nfs/dbraw/zinc/02/28/04/362022804.db2.gz ZQSDPQNRWOHKAB-UHFFFAOYSA-N 0 1 274.280 2.373 20 5 CEBDMN C[C@@H]1CCc2c(=O)n(-c3cccc([N+](=O)[O-])c3)[nH]c21 ZINC000601930623 346928749 /nfs/dbraw/zinc/92/87/49/346928749.db2.gz BDSJWQOMTBYMLP-KCJUWKMLSA-N 0 1 259.265 2.344 20 5 CEBDMN COc1cc([N+](=O)[O-])ccc1-n1[nH]c(C2CC2)cc1=O ZINC000601935091 346931418 /nfs/dbraw/zinc/93/14/18/346931418.db2.gz HBHYABQLKKUZDH-UHFFFAOYSA-N 0 1 275.264 2.106 20 5 CEBDMN COc1cc([N+](=O)[O-])ccc1-n1[nH]c2c(c1=O)CC[C@H]2C ZINC000601936877 346933207 /nfs/dbraw/zinc/93/32/07/346933207.db2.gz WUNKBZPHVYOIQY-SCZZXKLOSA-N 0 1 289.291 2.352 20 5 CEBDMN C[C@H](Sc1nc(N)cc(N)n1)c1cccc([N+](=O)[O-])c1 ZINC000007203110 343358264 /nfs/dbraw/zinc/35/82/64/343358264.db2.gz UQUGGXOGMGFZRK-ZETCQYMHSA-N 0 1 291.336 2.403 20 5 CEBDMN O=[N+]([O-])c1cccc(OCCN2CCSCC2)c1 ZINC000047986458 362237527 /nfs/dbraw/zinc/23/75/27/362237527.db2.gz OIBJWHZKXWQSPH-UHFFFAOYSA-N 0 1 268.338 2.022 20 5 CEBDMN CN(Cc1ccc([N+](=O)[O-])cc1)C[C@H]1CCCO1 ZINC000052102548 343556585 /nfs/dbraw/zinc/55/65/85/343556585.db2.gz FKDWIMVQIPGKOR-CYBMUJFWSA-N 0 1 250.298 2.206 20 5 CEBDMN CC[C@@H]1C[N@@H+](CC)CCN1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000449566934 282286371 /nfs/dbraw/zinc/28/63/71/282286371.db2.gz SLYVJHABYHSMFM-CYBMUJFWSA-N 0 1 293.367 2.217 20 5 CEBDMN Cc1[nH]nc(C(=O)N(C)C[C@H](C)C(C)(C)C)c1[N+](=O)[O-] ZINC000602219231 346997564 /nfs/dbraw/zinc/99/75/64/346997564.db2.gz YOAHTAQHZMPOSH-QMMMGPOBSA-N 0 1 282.344 2.381 20 5 CEBDMN C[C@H](c1ccccc1[N+](=O)[O-])N1CCN(C2CC2)CC1 ZINC000075673795 343861576 /nfs/dbraw/zinc/86/15/76/343861576.db2.gz LJYIHFOYZCLUHC-GFCCVEGCSA-N 0 1 275.352 2.436 20 5 CEBDMN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@H](O)C1 ZINC000048417259 362268794 /nfs/dbraw/zinc/26/87/94/362268794.db2.gz WGTHMNLIZGWSDD-GWCFXTLKSA-N 0 1 250.298 2.113 20 5 CEBDMN Cc1ccc(-c2ncco2)cc1NC(=O)[C@H]1C[C@H]1[N+](=O)[O-] ZINC000089618307 344125982 /nfs/dbraw/zinc/12/59/82/344125982.db2.gz QMNQPHXOEPZNNN-CMPLNLGQSA-N 0 1 287.275 2.254 20 5 CEBDMN C[C@@H](O)[C@H]1CCCC[N@H+]1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000092971222 344208827 /nfs/dbraw/zinc/20/88/27/344208827.db2.gz XNKLHRDFQMYZOM-ZWNOBZJWSA-N 0 1 280.324 2.036 20 5 CEBDMN CCSCCN1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000159264927 344454277 /nfs/dbraw/zinc/45/42/77/344454277.db2.gz JQCQCGDCUQFROL-UHFFFAOYSA-N 0 1 295.408 2.470 20 5 CEBDMN CCCN(CCO)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000050445223 362421861 /nfs/dbraw/zinc/42/18/61/362421861.db2.gz CHJXQEYBPQHJKW-UHFFFAOYSA-N 0 1 272.732 2.453 20 5 CEBDMN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)CN(C)C(C)C ZINC000590550635 345144698 /nfs/dbraw/zinc/14/46/98/345144698.db2.gz LLNZDYNSOQRGPB-UHFFFAOYSA-N 0 1 279.340 2.490 20 5 CEBDMN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H]1CCCN(C)C1 ZINC000591529227 345263076 /nfs/dbraw/zinc/26/30/76/345263076.db2.gz IQQKVDZXIKQYIQ-LBPRGKRZSA-N 0 1 291.351 2.036 20 5 CEBDMN O=[N+]([O-])c1cc2c(nc1N1CCc3cn[nH]c3C1)CCCC2 ZINC000591926393 345301560 /nfs/dbraw/zinc/30/15/60/345301560.db2.gz YBUUATCUHHDPAY-UHFFFAOYSA-N 0 1 299.334 2.154 20 5 CEBDMN CNc1ccc(-c2nc([C@H]3CCCN3)no2)cc1[N+](=O)[O-] ZINC000592357395 345344557 /nfs/dbraw/zinc/34/45/57/345344557.db2.gz ZWNOGONAHFUWAA-SNVBAGLBSA-N 0 1 289.295 2.111 20 5 CEBDMN Cc1[nH]nc(C(=O)N(C)CCC(C)(C)C)c1[N+](=O)[O-] ZINC000592835595 345402511 /nfs/dbraw/zinc/40/25/11/345402511.db2.gz IAURKMIUEGMVMU-UHFFFAOYSA-N 0 1 268.317 2.135 20 5 CEBDMN C[C@H]1CCC[N@H+]1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000593736390 345530102 /nfs/dbraw/zinc/53/01/02/345530102.db2.gz LRASEERIDDEPDQ-VIFPVBQESA-N 0 1 264.281 2.277 20 5 CEBDMN O=C([O-])CC[N@H+](Cc1ccc([N+](=O)[O-])cc1)CC1CC1 ZINC000593745303 345531475 /nfs/dbraw/zinc/53/14/75/345531475.db2.gz YDIHBHGDVGGLSF-UHFFFAOYSA-N 0 1 278.308 2.282 20 5 CEBDMN Cc1noc(CN2CCC[C@H]2C2CC2)c1[N+](=O)[O-] ZINC000595310107 345760075 /nfs/dbraw/zinc/76/00/75/345760075.db2.gz UINOAIQBQFOZDZ-JTQLQIEISA-N 0 1 251.286 2.266 20 5 CEBDMN C[C@@H](O)C[C@@H]1CCCN1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595396418 345773875 /nfs/dbraw/zinc/77/38/75/345773875.db2.gz LOOJCSANNHDBGS-MFKMUULPSA-N 0 1 282.315 2.469 20 5 CEBDMN CC[C@]1(O)CCN(Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595448635 345785504 /nfs/dbraw/zinc/78/55/04/345785504.db2.gz LQIHZGJQRJDVLK-ZDUSSCGKSA-N 0 1 268.288 2.081 20 5 CEBDMN C[C@]1(O)CCCN(Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595470481 345791308 /nfs/dbraw/zinc/79/13/08/345791308.db2.gz WAJMCXAGMSDQRD-AWEZNQCLSA-N 0 1 282.315 2.471 20 5 CEBDMN Cc1noc(CN[C@H]2CCCC23CCOCC3)c1[N+](=O)[O-] ZINC000595471912 345791316 /nfs/dbraw/zinc/79/13/16/345791316.db2.gz GQQVOUAFXJDNNX-LBPRGKRZSA-N 0 1 295.339 2.330 20 5 CEBDMN Cc1noc(CN2CCCCC[C@@H]2C[C@@H](C)O)c1[N+](=O)[O-] ZINC000595490162 345794401 /nfs/dbraw/zinc/79/44/01/345794401.db2.gz DSTIKDJOQYSJAB-ZYHUDNBSSA-N 0 1 297.355 2.407 20 5 CEBDMN Cc1noc(CN[C@@H](C(C)C)C2(CO)CCC2)c1[N+](=O)[O-] ZINC000595505129 345798045 /nfs/dbraw/zinc/79/80/45/345798045.db2.gz NHOPYOYCFAJJFR-ZDUSSCGKSA-N 0 1 297.355 2.168 20 5 CEBDMN COc1cc(CN2C[C@H](C)C(O)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000595743508 345864351 /nfs/dbraw/zinc/86/43/51/345864351.db2.gz NCOSGCVARLOHAW-QWRGUYRKSA-N 0 1 294.351 2.052 20 5 CEBDMN O=[N+]([O-])c1cc(F)c(CN[C@H](CO)C2CCC2)c(F)c1 ZINC000595617018 345828987 /nfs/dbraw/zinc/82/89/87/345828987.db2.gz QHCXKVVEHAAZPH-CYBMUJFWSA-N 0 1 286.278 2.124 20 5 CEBDMN COc1cc(CN2CC[C@H]3C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000595811037 345881636 /nfs/dbraw/zinc/88/16/36/345881636.db2.gz RUFSKVGRUGBMTP-RYUDHWBXSA-N 0 1 262.309 2.445 20 5 CEBDMN CN(C)[C@@H](CNc1cc[nH]c(=O)c1[N+](=O)[O-])c1ccco1 ZINC000596055495 345929096 /nfs/dbraw/zinc/92/90/96/345929096.db2.gz URBLNPDMLSOZPB-JTQLQIEISA-N 0 1 292.295 2.003 20 5 CEBDMN COc1cc([N+](=O)[O-])ccc1CN1C[C@H](C)[C@](C)(CO)C1 ZINC000595860126 345900471 /nfs/dbraw/zinc/90/04/71/345900471.db2.gz HILKIHIZHFFUNN-NHYWBVRUSA-N 0 1 294.351 2.054 20 5 CEBDMN O=[N+]([O-])c1cnccc1NC[C@H]1CCN1Cc1ccccc1 ZINC000596558945 346054647 /nfs/dbraw/zinc/05/46/47/346054647.db2.gz VDRWGQWWZFBMDJ-CQSZACIVSA-N 0 1 298.346 2.098 20 5 CEBDMN CC(C)[C@@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)C1CC1 ZINC000598382203 346342878 /nfs/dbraw/zinc/34/28/78/346342878.db2.gz VBOHFBCGQXISTD-CYBMUJFWSA-N 0 1 278.308 2.465 20 5 CEBDMN CC(C)c1[nH]nc(C(=O)N2CC(CC3CC3)C2)c1[N+](=O)[O-] ZINC000598781877 346419460 /nfs/dbraw/zinc/41/94/60/346419460.db2.gz RULWIYJYQOBGNN-UHFFFAOYSA-N 0 1 292.339 2.313 20 5 CEBDMN C[C@H]1CN(Cc2cn(C)nc2[N+](=O)[O-])CC(C)(C)C1 ZINC000602609005 347100565 /nfs/dbraw/zinc/10/05/65/347100565.db2.gz OZMVDQCLODOFJU-SNVBAGLBSA-N 0 1 266.345 2.196 20 5 CEBDMN C/C=C/C[C@H]1CCCN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])C1 ZINC000600805379 346693578 /nfs/dbraw/zinc/69/35/78/346693578.db2.gz FKAXUWRIEHNECZ-UFFNRZRYSA-N 0 1 292.339 2.445 20 5 CEBDMN CC1(C)C[C@@H](NCc2nc3cc([N+](=O)[O-])ccc3o2)CO1 ZINC000602704428 347159268 /nfs/dbraw/zinc/15/92/68/347159268.db2.gz DLAJNFJIDXTTGX-SECBINFHSA-N 0 1 291.307 2.393 20 5 CEBDMN Cc1ncc([N+](=O)[O-])n1CCN(C)[C@@H](C)c1cccnc1 ZINC000602801668 347205037 /nfs/dbraw/zinc/20/50/37/347205037.db2.gz YUQDCZKPZYXBDN-NSHDSACASA-N 0 1 289.339 2.188 20 5 CEBDMN CCN(C#N)CCNC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000602840204 347219895 /nfs/dbraw/zinc/21/98/95/347219895.db2.gz MCSWQCRLEJBIHQ-UHFFFAOYSA-N 0 1 276.340 2.222 20 5 CEBDMN CC[C@]1(O)CCCN(Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000602983338 347265519 /nfs/dbraw/zinc/26/55/19/347265519.db2.gz ICXQVWCIRORDMT-HNNXBMFYSA-N 0 1 294.351 2.340 20 5 CEBDMN Cc1cc(N2C[C@@H]3C[C@]3(O)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000603425620 347367799 /nfs/dbraw/zinc/36/77/99/347367799.db2.gz WMDPLDNHNVOLAF-BONVTDFDSA-N 0 1 285.303 2.022 20 5 CEBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1C2CCC1CC2 ZINC000603514944 347376684 /nfs/dbraw/zinc/37/66/84/347376684.db2.gz HFBDJANOYQPEIL-UHFFFAOYSA-N 0 1 286.291 2.238 20 5 CEBDMN O=[N+]([O-])c1ccc(Nc2cnn(-c3ccncc3)c2)cn1 ZINC000609797173 347651125 /nfs/dbraw/zinc/65/11/25/347651125.db2.gz KONOAVGWIMUJNL-UHFFFAOYSA-N 0 1 282.263 2.314 20 5 CEBDMN C[C@H]1CN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@H]1C ZINC000611272302 347761685 /nfs/dbraw/zinc/76/16/85/347761685.db2.gz ZYPSVSCAECOPBI-PHIMTYICSA-N 0 1 292.335 2.454 20 5 CEBDMN Cc1cc(CNc2ncc(Cl)cc2[N+](=O)[O-])n[nH]1 ZINC000610929142 347722547 /nfs/dbraw/zinc/72/25/47/347722547.db2.gz LTCXOYXBBBVZRJ-UHFFFAOYSA-N 0 1 267.676 2.287 20 5 CEBDMN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CC[C@H](n2cncn2)C1 ZINC000614418884 348197792 /nfs/dbraw/zinc/19/77/92/348197792.db2.gz DMHGACPLJPXHJB-FZMZJTMJSA-N 0 1 287.323 2.194 20 5 CEBDMN COc1cc(CN(C)C[C@@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000351971825 219271045 /nfs/dbraw/zinc/27/10/45/219271045.db2.gz XIOOWCXDVDMOSI-LBPRGKRZSA-N 0 1 280.324 2.214 20 5 CEBDMN CC(C)=CCNCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000616482629 348509161 /nfs/dbraw/zinc/50/91/61/348509161.db2.gz GTAQKNOIEHFAQV-UHFFFAOYSA-N 0 1 278.308 2.422 20 5 CEBDMN CC[C@@]1(NCc2cc(OC)c(F)cc2[N+](=O)[O-])CCOC1 ZINC000616865130 348581355 /nfs/dbraw/zinc/58/13/55/348581355.db2.gz BWPVDEZSYKWIEO-CQSZACIVSA-N 0 1 298.314 2.401 20 5 CEBDMN CN(Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CCC1 ZINC000618283370 348918401 /nfs/dbraw/zinc/91/84/01/348918401.db2.gz YMTZHZXVADJGPE-UHFFFAOYSA-N 0 1 260.297 2.455 20 5 CEBDMN CC(C)[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(C)C ZINC000106408549 186114458 /nfs/dbraw/zinc/11/44/58/186114458.db2.gz HCRHGAWLUKWXIS-GFCCVEGCSA-N 0 1 265.313 2.120 20 5 CEBDMN C[C@H](NCCn1cc([N+](=O)[O-])cn1)c1ccc(F)cc1F ZINC000130999111 366012606 /nfs/dbraw/zinc/01/26/06/366012606.db2.gz XXOIBEHZCNRSNK-VIFPVBQESA-N 0 1 296.277 2.420 20 5 CEBDMN CC[C@@H](C)N1CCN(c2c([N+](=O)[O-])c(C)nn2CC)CC1 ZINC000450853366 282802588 /nfs/dbraw/zinc/80/25/88/282802588.db2.gz BIWYTIKSJJUHEB-LLVKDONJSA-N 0 1 295.387 2.040 20 5 CEBDMN Cc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@@H]1CCCN(C)C1 ZINC000153849612 188108001 /nfs/dbraw/zinc/10/80/01/188108001.db2.gz CGKFKNIVZYGHBJ-CYBMUJFWSA-N 0 1 291.351 2.069 20 5 CEBDMN O=[N+]([O-])c1cnn(CCN2CCC[C@@H]2c2ccncc2)c1 ZINC000153820348 188105767 /nfs/dbraw/zinc/10/57/67/188105767.db2.gz UFMGZPLQLVMDOE-CQSZACIVSA-N 0 1 287.323 2.023 20 5 CEBDMN Cc1c(CN(C)CCNC(=O)C(C)C)cccc1[N+](=O)[O-] ZINC000157567238 188324376 /nfs/dbraw/zinc/32/43/76/188324376.db2.gz NLCOIGJCZGCZHX-UHFFFAOYSA-N 0 1 293.367 2.107 20 5 CEBDMN C[C@@H](CO)N(C)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000132209315 366126954 /nfs/dbraw/zinc/12/69/54/366126954.db2.gz PGWRKSVXUXJZMD-QMMMGPOBSA-N 0 1 258.705 2.061 20 5 CEBDMN CC(C)(C)NC(=O)CCNCc1csc([N+](=O)[O-])c1 ZINC000134592265 366344364 /nfs/dbraw/zinc/34/43/64/366344364.db2.gz VNIDNMTWFMHTQR-UHFFFAOYSA-N 0 1 285.369 2.051 20 5 CEBDMN Cc1ccc(CNCc2n[nH]c(C3CC3)n2)cc1[N+](=O)[O-] ZINC000294934243 199258430 /nfs/dbraw/zinc/25/84/30/199258430.db2.gz ZQJDENNDGTWRBT-UHFFFAOYSA-N 0 1 287.323 2.189 20 5 CEBDMN C[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@H]1C(=O)[O-] ZINC000578626241 366522829 /nfs/dbraw/zinc/52/28/29/366522829.db2.gz GJBBLZKHIWEMIB-GXFFZTMASA-N 0 1 278.308 2.137 20 5 CEBDMN CC1CCC(C)(NC(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC000136785633 366525373 /nfs/dbraw/zinc/52/53/73/366525373.db2.gz LAYRIVYVJTVKDG-UHFFFAOYSA-N 0 1 266.301 2.017 20 5 CEBDMN CCCc1[nH]nc(C(=O)N2CC[C@@H](C)[C@@H]2C)c1[N+](=O)[O-] ZINC000177083343 189027255 /nfs/dbraw/zinc/02/72/55/189027255.db2.gz CPTKXKFDDNLHJJ-BDAKNGLRSA-N 0 1 280.328 2.141 20 5 CEBDMN CCOC[C@@H]1CCN(Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000081519783 363723743 /nfs/dbraw/zinc/72/37/43/363723743.db2.gz OHXVVVSACTVQRI-GFCCVEGCSA-N 0 1 294.351 2.462 20 5 CEBDMN C[C@H]1CN(CCn2ccc([N+](=O)[O-])n2)[C@@H]1c1ccccc1 ZINC000177826478 189072737 /nfs/dbraw/zinc/07/27/37/189072737.db2.gz LBFRXXLXZXVGDH-WFASDCNBSA-N 0 1 286.335 2.484 20 5 CEBDMN COC(=O)C[C@H]1CCCN1Cc1ccccc1[N+](=O)[O-] ZINC000179124015 189171284 /nfs/dbraw/zinc/17/12/84/189171284.db2.gz WHSXYOAYIPZNOX-GFCCVEGCSA-N 0 1 278.308 2.122 20 5 CEBDMN Cc1oncc1NS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000339967763 366732772 /nfs/dbraw/zinc/73/27/72/366732772.db2.gz VYUAIYKNHRJENW-UHFFFAOYSA-N 0 1 297.292 2.000 20 5 CEBDMN Cc1nc2ccc(NC(=O)c3cc([N+](=O)[O-])cn3C)cc2[nH]1 ZINC000581622652 366804434 /nfs/dbraw/zinc/80/44/34/366804434.db2.gz TXNGBXHYJQUVEY-UHFFFAOYSA-N 0 1 299.290 2.370 20 5 CEBDMN CC[C@@H](NCCn1cc([N+](=O)[O-])cn1)c1nc(C)cs1 ZINC000184367197 189383963 /nfs/dbraw/zinc/38/39/63/189383963.db2.gz LCTJFULKQRYXHK-LLVKDONJSA-N 0 1 295.368 2.297 20 5 CEBDMN CC1(C)CN(CCOc2ccccc2[N+](=O)[O-])CC[C@H]1O ZINC000275498293 193059153 /nfs/dbraw/zinc/05/91/53/193059153.db2.gz QNSKPSJIXFTOER-CQSZACIVSA-N 0 1 294.351 2.066 20 5 CEBDMN O=C(NCCCC1CCCC1)c1n[nH]cc1[N+](=O)[O-] ZINC000159732747 366942862 /nfs/dbraw/zinc/94/28/62/366942862.db2.gz MIZGEWTXBGLJMX-UHFFFAOYSA-N 0 1 266.301 2.018 20 5 CEBDMN CCCCCC[C@@H](C)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000159651523 366935953 /nfs/dbraw/zinc/93/59/53/366935953.db2.gz JDPYBYVYLLUZRG-SECBINFHSA-N 0 1 268.317 2.407 20 5 CEBDMN O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccc2cncn2c1 ZINC000341190478 367214913 /nfs/dbraw/zinc/21/49/13/367214913.db2.gz QDVRHWFUAGUKKT-UHFFFAOYSA-N 0 1 282.259 2.495 20 5 CEBDMN O=[N+]([O-])c1ccc(F)cc1CN1CC[C@]2(CCOC2)C1 ZINC000176313060 368223379 /nfs/dbraw/zinc/22/33/79/368223379.db2.gz HYLFRHYTNNJPLC-AWEZNQCLSA-N 0 1 280.299 2.346 20 5 CEBDMN CCc1[nH]nc(C(=O)N2CC[C@@H](C(C)(C)C)C2)c1[N+](=O)[O-] ZINC000346069450 368536813 /nfs/dbraw/zinc/53/68/13/368536813.db2.gz BMNHWNRFNVJOIM-SECBINFHSA-N 0 1 294.355 2.389 20 5 CEBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCN(C)CC1 ZINC000182634750 368573133 /nfs/dbraw/zinc/57/31/33/368573133.db2.gz ZPQWDQSBIUCAIL-GFCCVEGCSA-N 0 1 263.341 2.212 20 5 CEBDMN C[C@@H]1CCN(C/C=C/c2ccccc2[N+](=O)[O-])C[C@H]1O ZINC000349403046 369318931 /nfs/dbraw/zinc/31/89/31/369318931.db2.gz BFPZYMVFZAWDAS-YABQJVKDSA-N 0 1 276.336 2.311 20 5 CEBDMN CCN(C)C(=O)[C@@H](C)N[C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000189410086 369512440 /nfs/dbraw/zinc/51/24/40/369512440.db2.gz NCCIAVGUKCGMDT-VXGBXAGGSA-N 0 1 293.367 2.421 20 5 CEBDMN COCCO[C@@H]1CCN(Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000189706043 369561917 /nfs/dbraw/zinc/56/19/17/369561917.db2.gz NMMAACIRVBIPSC-CQSZACIVSA-N 0 1 294.351 2.141 20 5 CEBDMN COc1cc([N+](=O)[O-])ccc1CN(C)C[C@H](C)OC ZINC000353252894 370097231 /nfs/dbraw/zinc/09/72/31/370097231.db2.gz JQKHBTYOXVVTCE-JTQLQIEISA-N 0 1 268.313 2.070 20 5 CEBDMN CCCc1[nH]nc(C(=O)N(C)[C@@H]2CC2(C)C)c1[N+](=O)[O-] ZINC000331448769 203853622 /nfs/dbraw/zinc/85/36/22/203853622.db2.gz GJZWJXHHGNAIGS-SECBINFHSA-N 0 1 280.328 2.141 20 5 CEBDMN COc1cc(CN(C)CC2(O)CCC2)c([N+](=O)[O-])cc1F ZINC000362176522 372258780 /nfs/dbraw/zinc/25/87/80/372258780.db2.gz GZHMEVYMXBLYGJ-UHFFFAOYSA-N 0 1 298.314 2.089 20 5 CEBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCCCCC1 ZINC000269128897 296183709 /nfs/dbraw/zinc/18/37/09/296183709.db2.gz KNAVWLDUBIWFDY-UHFFFAOYSA-N 0 1 264.281 2.317 20 5 CEBDMN O=C(N[C@@H]1CCCc2cn[nH]c21)c1ccccc1[N+](=O)[O-] ZINC000268992682 372309211 /nfs/dbraw/zinc/30/92/11/372309211.db2.gz PFVUUMHRVNKYRN-LLVKDONJSA-N 0 1 286.291 2.125 20 5 CEBDMN CCN(CC1CC1)C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000269330286 372421486 /nfs/dbraw/zinc/42/14/86/372421486.db2.gz FGBQNZQPTBURJV-UHFFFAOYSA-N 0 1 280.328 2.313 20 5 CEBDMN C[C@@H](c1cccc([N+](=O)[O-])c1)N1C[C@H](O)C2(CC2)C1 ZINC000364316412 372724461 /nfs/dbraw/zinc/72/44/61/372724461.db2.gz LZRCLESJESUAKJ-GWCFXTLKSA-N 0 1 262.309 2.113 20 5 CEBDMN CCN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)C(C)C ZINC000272554860 373548139 /nfs/dbraw/zinc/54/81/39/373548139.db2.gz LBBWBUASDMMFFM-UHFFFAOYSA-N 0 1 252.270 2.171 20 5 CEBDMN O=C(NCCCC(F)(F)F)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272701152 373621001 /nfs/dbraw/zinc/62/10/01/373621001.db2.gz UKCVEBTYLZOAOU-UHFFFAOYSA-N 0 1 292.213 2.373 20 5 CEBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC=C(c2ccc(F)cc2)CC1 ZINC000371435326 373881825 /nfs/dbraw/zinc/88/18/25/373881825.db2.gz CDVQFHLOBIPIGJ-KGLIPLIRSA-N 0 1 290.294 2.107 20 5 CEBDMN NC(=O)c1ccc(CN2CC3CCC2CC3)c([N+](=O)[O-])c1 ZINC000371389811 373866182 /nfs/dbraw/zinc/86/61/82/373866182.db2.gz SVWUYLBFDVVKSW-UHFFFAOYSA-N 0 1 289.335 2.068 20 5 CEBDMN O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CC[C@@H](C3CC3)C2)c1 ZINC000372854598 374212877 /nfs/dbraw/zinc/21/28/77/374212877.db2.gz CSUFSJUNPISFHD-HIFRSBDPSA-N 0 1 276.336 2.360 20 5 CEBDMN CC(C)=CCCNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000276674598 374261558 /nfs/dbraw/zinc/26/15/58/374261558.db2.gz ZHQGQWYPZDGYRH-UHFFFAOYSA-N 0 1 264.281 2.387 20 5 CEBDMN C[C@]1(Cc2ccccc2)CCCN1C(=O)[C@H]1CC1[N+](=O)[O-] ZINC000373344760 374331534 /nfs/dbraw/zinc/33/15/34/374331534.db2.gz CBGHIUPCLHXHLD-OFQRWUPVSA-N 0 1 288.347 2.275 20 5 CEBDMN Cc1ccc(-c2cnccn2)cc1NC(=O)[C@@H]1C[C@@H]1[N+](=O)[O-] ZINC000373631251 374394253 /nfs/dbraw/zinc/39/42/53/374394253.db2.gz LZFVDNVRFPSOIO-RISCZKNCSA-N 0 1 298.302 2.056 20 5 CEBDMN O=[N+]([O-])c1cc(CN[C@H]2CCCC(F)(F)[C@@H]2O)cs1 ZINC000414531115 375839598 /nfs/dbraw/zinc/83/95/98/375839598.db2.gz FRKZVNGVRALGJT-WCBMZHEXSA-N 0 1 292.307 2.295 20 5 CEBDMN CC(C)NC(=O)[C@H](C)NC/C=C\c1ccccc1[N+](=O)[O-] ZINC000414541741 375844585 /nfs/dbraw/zinc/84/45/85/375844585.db2.gz JNVMNRZXHADXPG-VFFGBVLKSA-N 0 1 291.351 2.111 20 5 CEBDMN CON(CC(C)(C)C)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000286482990 375968902 /nfs/dbraw/zinc/96/89/02/375968902.db2.gz LSTIDTAYSATJBG-UHFFFAOYSA-N 0 1 282.296 2.350 20 5 CEBDMN CCN1CCN(Cc2csc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000286768171 376060629 /nfs/dbraw/zinc/06/06/29/376060629.db2.gz ZRGJUOXMIJXZNK-JTQLQIEISA-N 0 1 269.370 2.182 20 5 CEBDMN CCc1nc(CN[C@H](C)c2cc([N+](=O)[O-])ccc2C)n[nH]1 ZINC000562572678 376936706 /nfs/dbraw/zinc/93/67/06/376936706.db2.gz OOXTWKUTGPUWLH-SNVBAGLBSA-N 0 1 289.339 2.435 20 5 CEBDMN CC(C)(CCc1nc(=O)c2sccc2[nH]1)[N+](=O)[O-] ZINC000290863460 376957750 /nfs/dbraw/zinc/95/77/50/376957750.db2.gz AGBNKMQINQXKQM-UHFFFAOYSA-N 0 1 267.310 2.385 20 5 CEBDMN CCCc1[nH]nc(C(=O)N2CC(C)(CC)C2)c1[N+](=O)[O-] ZINC000291100772 377070389 /nfs/dbraw/zinc/07/03/89/377070389.db2.gz RNSDQMZYHFSJLC-UHFFFAOYSA-N 0 1 280.328 2.143 20 5 CEBDMN C[N@@H+](Cc1cc([O-])ccc1[N+](=O)[O-])[C@H]1CCSC1 ZINC000330577864 377192899 /nfs/dbraw/zinc/19/28/99/377192899.db2.gz NPJCUSNCKQSIOE-JTQLQIEISA-N 0 1 268.338 2.238 20 5 CEBDMN C[C@H](O)[C@H]1C[C@H](C)CC[N@H+]1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000330444422 377135360 /nfs/dbraw/zinc/13/53/60/377135360.db2.gz CFWASKKAZJSOFM-JRPNMDOOSA-N 0 1 294.351 2.282 20 5 CEBDMN CC[N@H+]1C[C@@H](C)N(Cc2cc([O-])ccc2[N+](=O)[O-])C[C@H]1C ZINC000330452327 377139110 /nfs/dbraw/zinc/13/91/10/377139110.db2.gz KSYZWENKGJKWGL-VXGBXAGGSA-N 0 1 293.367 2.215 20 5 CEBDMN O=[N+]([O-])c1ccc(O)cc1CN1CCC=C(F)C1 ZINC000330451229 377139153 /nfs/dbraw/zinc/13/91/53/377139153.db2.gz KACZSKHNMPQXIR-UHFFFAOYSA-N 0 1 252.245 2.360 20 5 CEBDMN C[C@@H]1CCCC[C@@H]1N(C)Cc1c([N+](=O)[O-])ncn1C ZINC000331075347 377270237 /nfs/dbraw/zinc/27/02/37/377270237.db2.gz UWBQWKPJSGFJIV-MNOVXSKESA-N 0 1 266.345 2.339 20 5 CEBDMN Cc1ccc(NC(=O)[C@@H](C)Cc2cnc[nH]2)cc1[N+](=O)[O-] ZINC000563547219 377248862 /nfs/dbraw/zinc/24/88/62/377248862.db2.gz RHZHDAWEWHEGAG-JTQLQIEISA-N 0 1 288.307 2.444 20 5 CEBDMN CCOc1ccc([N+](=O)[O-])cc1CN1CC[C@](O)(CC)C1 ZINC000425922773 377386717 /nfs/dbraw/zinc/38/67/17/377386717.db2.gz FHLHFNUUWNRXPX-OAHLLOKOSA-N 0 1 294.351 2.340 20 5 CEBDMN O=[N+]([O-])c1ccc(CN2CCC3(CC2)OCCCO3)cc1 ZINC000293145538 377445767 /nfs/dbraw/zinc/44/57/67/377445767.db2.gz UNUUPUUKTVHUPH-UHFFFAOYSA-N 0 1 292.335 2.324 20 5 CEBDMN C[C@@H](CCCC(F)(F)F)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000427979009 377477757 /nfs/dbraw/zinc/47/77/57/377477757.db2.gz NITFYPUYNYAZLC-LURJTMIESA-N 0 1 294.233 2.169 20 5 CEBDMN CC(C)(C(=O)NOCC1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000293902078 377816418 /nfs/dbraw/zinc/81/64/18/377816418.db2.gz ZVDNAXRDCQDNFG-UHFFFAOYSA-N 0 1 278.308 2.330 20 5 CEBDMN CN(c1ccc([N+](=O)[O-])cc1F)[C@H]1CCCN(C)C1 ZINC000266007010 190222175 /nfs/dbraw/zinc/22/21/75/190222175.db2.gz MHRPRGPQBIWLFH-NSHDSACASA-N 0 1 267.304 2.264 20 5 CEBDMN COCc1cc(CNCCc2ccc([N+](=O)[O-])cc2)no1 ZINC000298510730 378750657 /nfs/dbraw/zinc/75/06/57/378750657.db2.gz QYPXZTPHXQQOHG-UHFFFAOYSA-N 0 1 291.307 2.062 20 5 CEBDMN CC[C@@H](N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1)C(=O)NC ZINC000453405985 378890726 /nfs/dbraw/zinc/89/07/26/378890726.db2.gz OYHSGTDYQGIGRG-ZYHUDNBSSA-N 0 1 279.340 2.078 20 5 CEBDMN CC[C@@H](N[C@H]1CCCc2ccc([N+](=O)[O-])cc21)C(=O)NC ZINC000453413156 378894098 /nfs/dbraw/zinc/89/40/98/378894098.db2.gz SKMSBGNZSNNKKE-KGLIPLIRSA-N 0 1 291.351 2.086 20 5 CEBDMN Cc1[nH]nc(C(=O)N(C)[C@@H](C)c2ccco2)c1[N+](=O)[O-] ZINC000299498176 379020405 /nfs/dbraw/zinc/02/04/05/379020405.db2.gz BTEGRKORZHRPRH-QMMMGPOBSA-N 0 1 278.268 2.053 20 5 CEBDMN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@@H](C)C1 ZINC000299678803 379103012 /nfs/dbraw/zinc/10/30/12/379103012.db2.gz VAELHMOLQHHGRP-GHMZBOCLSA-N 0 1 277.324 2.264 20 5 CEBDMN CC[C@@H]1CN(CC)CCN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000456361835 379406197 /nfs/dbraw/zinc/40/61/97/379406197.db2.gz VZBKWJIVQCPSFO-CYBMUJFWSA-N 0 1 291.351 2.151 20 5 CEBDMN CN(Cc1c([N+](=O)[O-])ncn1C)C1CCC(F)(F)CC1 ZINC000347614930 218291798 /nfs/dbraw/zinc/29/17/98/218291798.db2.gz JTYJLQYWWGDYLO-UHFFFAOYSA-N 0 1 288.298 2.338 20 5 CEBDMN CC(C)[C@]1(C)C[C@H]1NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000458112651 380012598 /nfs/dbraw/zinc/01/25/98/380012598.db2.gz HCKSYYLQJPRHHA-OCCSQVGLSA-N 0 1 278.308 2.465 20 5 CEBDMN CCc1nocc1CNCCOc1ccc([N+](=O)[O-])cc1 ZINC000550142620 380619189 /nfs/dbraw/zinc/61/91/89/380619189.db2.gz ZFRXHRVXGORURS-UHFFFAOYSA-N 0 1 291.307 2.314 20 5 CEBDMN CC(C)c1noc(OCc2cc(O)ccc2[N+](=O)[O-])n1 ZINC000412998567 394456052 /nfs/dbraw/zinc/45/60/52/394456052.db2.gz YFNNIUCXPZREFH-UHFFFAOYSA-N 0 1 279.252 2.386 20 5 CEBDMN C[C@H]1C[C@@H]1CN1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000356530778 394580070 /nfs/dbraw/zinc/58/00/70/394580070.db2.gz QTNWNWJJVZPFPY-WDEREUQCSA-N 0 1 262.309 2.445 20 5 CEBDMN Cc1nc([C@H]2CCN(c3ccccc3[N+](=O)[O-])C2)n[nH]1 ZINC000413554899 394582342 /nfs/dbraw/zinc/58/23/42/394582342.db2.gz ODBHTYGBOZPSLE-JTQLQIEISA-N 0 1 273.296 2.015 20 5 CEBDMN Cc1nnc([C@H]2CCN(c3ccccc3[N+](=O)[O-])C2)[nH]1 ZINC000413554899 394582346 /nfs/dbraw/zinc/58/23/46/394582346.db2.gz ODBHTYGBOZPSLE-JTQLQIEISA-N 0 1 273.296 2.015 20 5 CEBDMN O=C([O-])C[C@H]1CCC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000048756061 394527497 /nfs/dbraw/zinc/52/74/97/394527497.db2.gz GOWYVRUOWLZDSB-LLVKDONJSA-N 0 1 264.281 2.034 20 5 CEBDMN C[C@H]1CCCN1[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000072875553 394600662 /nfs/dbraw/zinc/60/06/62/394600662.db2.gz ZMFRHSADRNERLS-SMDDNHRTSA-N 0 1 289.335 2.184 20 5 CEBDMN CC(C)c1[nH]nc(C(=O)N2CCCCC2)c1[N+](=O)[O-] ZINC000269325970 394717473 /nfs/dbraw/zinc/71/74/73/394717473.db2.gz KYMLVRQNSRNICL-UHFFFAOYSA-N 0 1 266.301 2.067 20 5 CEBDMN CN1CC[C@@H]2CCN(c3c(F)cc([N+](=O)[O-])cc3F)[C@@H]2C1 ZINC000272250240 394769234 /nfs/dbraw/zinc/76/92/34/394769234.db2.gz YHGWSJHHMDEPNF-NOZJJQNGSA-N 0 1 297.305 2.403 20 5 CEBDMN CN(C)[C@@H](CNc1ccc(N)cc1[N+](=O)[O-])c1ccco1 ZINC000285758504 394963336 /nfs/dbraw/zinc/96/33/36/394963336.db2.gz VHHXPXVPPJEUHF-ZDUSSCGKSA-N 0 1 290.323 2.485 20 5 CEBDMN COC(=O)[C@H](C)SCc1cc(O)ccc1[N+](=O)[O-] ZINC000436473604 395119990 /nfs/dbraw/zinc/11/99/90/395119990.db2.gz HWMMFNFPASMGER-ZETCQYMHSA-N 0 1 271.294 2.095 20 5 CEBDMN COc1cc(N(C)C[C@H]2CCC[N@H+]2C)c([N+](=O)[O-])cc1F ZINC000420636383 395395233 /nfs/dbraw/zinc/39/52/33/395395233.db2.gz NHEAANWGSYGPMK-SNVBAGLBSA-N 0 1 297.330 2.273 20 5 CEBDMN C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[C@](O)(C(F)F)C1 ZINC000451436936 395618291 /nfs/dbraw/zinc/61/82/91/395618291.db2.gz KZLPSCHHVJYEBG-NOZJJQNGSA-N 0 1 286.278 2.358 20 5 CEBDMN COc1cc([N+](=O)[O-])ccc1CN[C@H]1COCC1(C)C ZINC000451812749 395625264 /nfs/dbraw/zinc/62/52/64/395625264.db2.gz PLPDZNVQINVLDR-ZDUSSCGKSA-N 0 1 280.324 2.118 20 5 CEBDMN Cc1ccc(CN[C@H](C)c2cn[nH]c2)cc1[N+](=O)[O-] ZINC000229885159 153375058 /nfs/dbraw/zinc/37/50/58/153375058.db2.gz JJGGCNBUBMRDLF-SNVBAGLBSA-N 0 1 260.297 2.477 20 5 CEBDMN C[C@@H]1OCC[C@]1(C)NCc1csc([N+](=O)[O-])c1 ZINC000230155399 153386015 /nfs/dbraw/zinc/38/60/15/153386015.db2.gz HGVRSEHTKOCQJY-KWQFWETISA-N 0 1 256.327 2.313 20 5 CEBDMN Cc1c(C[N@H+]([C@@H](C)C(=O)[O-])C2CC2)cccc1[N+](=O)[O-] ZINC000263329998 154058873 /nfs/dbraw/zinc/05/88/73/154058873.db2.gz LUYIIYICRCFIKL-JTQLQIEISA-N 0 1 278.308 2.341 20 5 CEBDMN COc1ccc([N+](=O)[O-])cc1CN1CC[C@@H](CO)C[C@@H]1C ZINC000344183846 154276274 /nfs/dbraw/zinc/27/62/74/154276274.db2.gz UMRNWXFRLGCBRT-NWDGAFQWSA-N 0 1 294.351 2.196 20 5 CEBDMN Cc1cc(=O)[nH]c(C=Cc2cc(O)ccc2[N+](=O)[O-])n1 ZINC000352025073 154320679 /nfs/dbraw/zinc/32/06/79/154320679.db2.gz CJXOHHIPBFVXNA-GORDUTHDSA-N 0 1 273.248 2.275 20 5 CEBDMN C[C@@H]1C[C@H](C)CN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000408160626 165697463 /nfs/dbraw/zinc/69/74/63/165697463.db2.gz WMEDYGUDVGOTDJ-DTWKUNHWSA-N 0 1 264.281 2.171 20 5 CEBDMN Cc1c([C@H](C)NCc2ccc([N+](=O)[O-])cc2)cnn1C ZINC000035274486 172094482 /nfs/dbraw/zinc/09/44/82/172094482.db2.gz AWTWIBZBAXADFT-JTQLQIEISA-N 0 1 274.324 2.488 20 5 CEBDMN C[C@@H]1CC[C@@H](O)CN1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000421372615 270612907 /nfs/dbraw/zinc/61/29/07/270612907.db2.gz LBVQPWKZKWDEKD-FAQJLRJSSA-N 0 1 276.336 2.453 20 5 CEBDMN COCC(C)(C)N(C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000429264349 271317471 /nfs/dbraw/zinc/31/74/71/271317471.db2.gz OYNKHTOGMFQIEU-UHFFFAOYSA-N 0 1 292.339 2.328 20 5 CEBDMN C[C@@H]1CCCN1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000193936465 274293098 /nfs/dbraw/zinc/29/30/98/274293098.db2.gz WDSAUQFXKMIIBX-SECBINFHSA-N 0 1 265.269 2.487 20 5 CEBDMN Cc1c(CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)cnn1C ZINC000135104230 274661064 /nfs/dbraw/zinc/66/10/64/274661064.db2.gz PYWJOZWLBXCFRC-JTQLQIEISA-N 0 1 274.324 2.488 20 5 CEBDMN CC(C)c1[nH]nc(C(=O)N2C[C@@H]3CCC[C@H]3C2)c1[N+](=O)[O-] ZINC000269520335 276041148 /nfs/dbraw/zinc/04/11/48/276041148.db2.gz QDGIXEKHOGMUNX-UWVGGRQHSA-N 0 1 292.339 2.313 20 5 CEBDMN CC(C)c1[nH]nc(C(=O)N2CCSC[C@H]2C)c1[N+](=O)[O-] ZINC000269333244 278000301 /nfs/dbraw/zinc/00/03/01/278000301.db2.gz ATACGJFHYDGFJB-MRVPVSSYSA-N 0 1 298.368 2.019 20 5 CEBDMN CC(C)CNC(=O)[C@H](C)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000079309490 279687398 /nfs/dbraw/zinc/68/73/98/279687398.db2.gz QIWWERSQQTXAQF-RYUDHWBXSA-N 0 1 293.367 2.406 20 5 CEBDMN C[C@@H]1CN(c2cccc(F)c2[N+](=O)[O-])C[C@H](C)N1C ZINC000135265751 288264807 /nfs/dbraw/zinc/26/48/07/288264807.db2.gz SYMPJXTVDRJOQM-AOOOYVTPSA-N 0 1 267.304 2.263 20 5 CEBDMN Cc1ccc([N+](=O)[O-])c(N2CCN(C)[C@H](C)[C@H]2C)c1 ZINC000356794850 281012246 /nfs/dbraw/zinc/01/22/46/281012246.db2.gz NNJAROJZOVIYIA-VXGBXAGGSA-N 0 1 263.341 2.432 20 5 CEBDMN COc1ccc(CSc2cn[nH]n2)cc1[N+](=O)[O-] ZINC000155996181 289186950 /nfs/dbraw/zinc/18/69/50/289186950.db2.gz BIBKAHPGFOZKRH-UHFFFAOYSA-N 0 1 266.282 2.014 20 5 CEBDMN C[C@@H](NCCOc1cccc([N+](=O)[O-])c1)c1ccn(C)n1 ZINC000459779289 290237168 /nfs/dbraw/zinc/23/71/68/290237168.db2.gz FNWFCHFFTIILAZ-LLVKDONJSA-N 0 1 290.323 2.058 20 5 CEBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@H](C)C(=O)N(C)C ZINC000539124806 298245095 /nfs/dbraw/zinc/24/50/95/298245095.db2.gz UCWPUTKPCZTWMG-WDEREUQCSA-N 0 1 279.340 2.031 20 5 CEBDMN Cc1cc(C)c([N+](=O)[O-])c(N2C[C@@H](C)N(C)[C@@H](C)C2)n1 ZINC000338796470 301205358 /nfs/dbraw/zinc/20/53/58/301205358.db2.gz SLZILRSDLFRHIH-TXEJJXNPSA-N 0 1 278.356 2.135 20 5 CEBDMN O=[N+]([O-])c1cccc(OCCN2C[C@@H]3C[C@H]2CS3)c1 ZINC000569807238 314015910 /nfs/dbraw/zinc/01/59/10/314015910.db2.gz QOZNUWAGOFHZFQ-AAEUAGOBSA-N 0 1 280.349 2.163 20 5 CEBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H](C)C(=O)NC(C)C ZINC000576128803 314246239 /nfs/dbraw/zinc/24/62/39/314246239.db2.gz DJVFKBQFIVRAHG-RYUDHWBXSA-N 0 1 293.367 2.467 20 5 CEBDMN Cc1ccnc(NCc2n[nH]c(C(C)(C)C)n2)c1[N+](=O)[O-] ZINC000413414053 534403734 /nfs/dbraw/zinc/40/37/34/534403734.db2.gz MUJMJSDHCXASSA-UHFFFAOYSA-N 0 1 290.327 2.326 20 5 CEBDMN CCCN(C)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000069093138 521511656 /nfs/dbraw/zinc/51/16/56/521511656.db2.gz JPBXUYZVOQUAKE-JTQLQIEISA-N 0 1 295.339 2.272 20 5 CEBDMN O=C(NCc1cccc(-c2cccnc2)c1)[C@@H]1CC1[N+](=O)[O-] ZINC000364097963 526708164 /nfs/dbraw/zinc/70/81/64/526708164.db2.gz OUSPTGSQOZIQAE-HUUCEWRRSA-N 0 1 297.314 2.030 20 5 CEBDMN Cc1noc(C)c1CNC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000749685332 574445007 /nfs/dbraw/zinc/44/50/07/574445007.db2.gz FIFCHJCXONZPIB-CQSZACIVSA-N 0 1 291.307 2.023 20 5 CEBDMN C[C@@H](NC1COC(C)(C)OC1)c1ccc([N+](=O)[O-])cc1 ZINC000757695849 574514207 /nfs/dbraw/zinc/51/42/07/574514207.db2.gz AKDXXPHXIISGBX-SNVBAGLBSA-N 0 1 280.324 2.397 20 5 CEBDMN CN(C(=O)[O-])[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000739583041 574927379 /nfs/dbraw/zinc/92/73/79/574927379.db2.gz FMKKUOIGQOKXPH-ZDUSSCGKSA-N 0 1 293.323 2.169 20 5 CEBDMN CN(C[C@H]1CC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1)C(=O)[O-] ZINC000739665900 574930297 /nfs/dbraw/zinc/93/02/97/574930297.db2.gz NQJDNNAFTRKYCK-LLVKDONJSA-N 0 1 293.323 2.027 20 5 CEBDMN C[C@@H](C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl)N(C)C ZINC000750016138 575243586 /nfs/dbraw/zinc/24/35/86/575243586.db2.gz KJUIAHQSHXTUFL-VIFPVBQESA-N 0 1 299.758 2.157 20 5 CEBDMN COC[C@@H]1CCCN1Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000751950062 575302500 /nfs/dbraw/zinc/30/25/00/575302500.db2.gz ODJKDLAUKJEBQQ-ZDUSSCGKSA-N 0 1 290.323 2.013 20 5 CEBDMN C[C@H](C[N@@H+](C)Cc1cc(Cl)ccc1[N+](=O)[O-])C(=O)[O-] ZINC000093633513 601114194 /nfs/dbraw/zinc/11/41/94/601114194.db2.gz WEQUFSIYDCSMLW-MRVPVSSYSA-N 0 1 286.715 2.401 20 5 CEBDMN Cc1c(Cn2cc(CNC(C)C)nn2)cccc1[N+](=O)[O-] ZINC000090297387 623525843 /nfs/dbraw/zinc/52/58/43/623525843.db2.gz FMVLLWQOBWQZQP-UHFFFAOYSA-N 0 1 289.339 2.041 20 5 CEBDMN COC(=O)C[C@H](NCc1cccnc1[N+](=O)[O-])C(C)(C)C ZINC000934035620 624181308 /nfs/dbraw/zinc/18/13/08/624181308.db2.gz AOKOJCKGAVEYAR-NSHDSACASA-N 0 1 295.339 2.057 20 5 CEBDMN Cc1nnc(NC(=O)c2cc(F)cc(C)c2[N+](=O)[O-])s1 ZINC000176723038 624608805 /nfs/dbraw/zinc/60/88/05/624608805.db2.gz AAJWJMJUDGFUKG-UHFFFAOYSA-N 0 1 296.283 2.455 20 5 CEBDMN COc1c(O)ccc(CNCCC(F)(F)F)c1[N+](=O)[O-] ZINC000893084382 627988579 /nfs/dbraw/zinc/98/85/79/627988579.db2.gz SHTHTIDJPVIKLO-UHFFFAOYSA-N 0 1 294.229 2.351 20 5 CEBDMN CCO[C@@H]1C[C@H](N[C@@H](C)c2ccccc2[N+](=O)[O-])[C@H]1OC ZINC000893280386 628236192 /nfs/dbraw/zinc/23/61/92/628236192.db2.gz WUXRSZRIUHMAEB-OBCWZRDOSA-N 0 1 294.351 2.438 20 5 CEBDMN O=[N+]([O-])c1cc(CN2CCC[C@H]2c2nnc[nH]2)cs1 ZINC000931134437 628371307 /nfs/dbraw/zinc/37/13/07/628371307.db2.gz BLBLCJIVQSAAPX-VIFPVBQESA-N 0 1 279.325 2.112 20 5 CEBDMN CCNc1cc(C)ccc1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000840435542 634662441 /nfs/dbraw/zinc/66/24/41/634662441.db2.gz HOGCZAGELQXJCG-BXKDBHETSA-N 0 1 263.297 2.031 20 5 CEBDMN CN1C[C@H]2CC[C@@H](C1)N2c1ccc(F)cc1[N+](=O)[O-] ZINC000894879905 629714629 /nfs/dbraw/zinc/71/46/29/629714629.db2.gz XRDDMFYPAZKLAO-PHIMTYICSA-N 0 1 265.288 2.017 20 5 CEBDMN CCN1[C@H](C)CN(c2ncc([N+](=O)[O-])cc2C)C[C@@H]1C ZINC000895100522 629896767 /nfs/dbraw/zinc/89/67/67/629896767.db2.gz UVSFBKNDNSBSFM-TXEJJXNPSA-N 0 1 278.356 2.217 20 5 CEBDMN CC1=NO[C@H](CNCc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000895301629 630090843 /nfs/dbraw/zinc/09/08/43/630090843.db2.gz JJSNMPLKXOCWNX-LBPRGKRZSA-N 0 1 277.324 2.466 20 5 CEBDMN O=[N+]([O-])c1ccnn1CN1CCC[C@H]1Cc1ccccc1 ZINC000054447609 631538826 /nfs/dbraw/zinc/53/88/26/631538826.db2.gz ZNZGJTGUCHTUNO-AWEZNQCLSA-N 0 1 286.335 2.456 20 5 CEBDMN Cc1nc(NOCCOC(C)C)ccc1[N+](=O)[O-] ZINC000812489226 632537934 /nfs/dbraw/zinc/53/79/34/632537934.db2.gz VOQIVTDWQMBICS-UHFFFAOYSA-N 0 1 255.274 2.067 20 5 CEBDMN Cc1nc(-c2ccccc2)[nH]c1C(=O)O[C@@H](C)C[N+](=O)[O-] ZINC000814036153 632777040 /nfs/dbraw/zinc/77/70/40/632777040.db2.gz TWZLEGVIUOUHAC-VIFPVBQESA-N 0 1 289.291 2.207 20 5 CEBDMN CSC[C@H](O)CNCc1cc([N+](=O)[O-])ccc1Cl ZINC000819151041 634085680 /nfs/dbraw/zinc/08/56/80/634085680.db2.gz VSIAVEJMQJABFX-SNVBAGLBSA-N 0 1 290.772 2.062 20 5 CEBDMN C[C@H](C[N@@H+](C)C/C=C/c1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC000901598280 634205787 /nfs/dbraw/zinc/20/57/87/634205787.db2.gz LZNITNDUQPQPNJ-OKPNEXGHSA-N 0 1 278.308 2.261 20 5 CEBDMN C[C@@H](NC[C@@H](C)c1ccccc1[N+](=O)[O-])c1cnn(C)n1 ZINC000903245227 635026043 /nfs/dbraw/zinc/02/60/43/635026043.db2.gz KRWQTIPBCQVPKP-GHMZBOCLSA-N 0 1 289.339 2.178 20 5 CEBDMN C[C@H](N[C@@H]1COC[C@H]1C)c1c(F)cccc1[N+](=O)[O-] ZINC000903392980 635089545 /nfs/dbraw/zinc/08/95/45/635089545.db2.gz CMJVVUVBAYVVHH-WCABBAIRSA-N 0 1 268.288 2.419 20 5 CEBDMN C[C@@H]1CC[C@H](C(=O)[O-])[C@H](C)[N@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000903409304 635103479 /nfs/dbraw/zinc/10/34/79/635103479.db2.gz VKXZWHRXBOKWKM-SCVCMEIPSA-N 0 1 293.323 2.063 20 5 CEBDMN O=C([O-])[C@]12C[C@H]1CCC[N@@H+]2Cc1csc([N+](=O)[O-])c1 ZINC000903936383 635360924 /nfs/dbraw/zinc/36/09/24/635360924.db2.gz IKJQPOHWNXNNHG-SKDRFNHKSA-N 0 1 282.321 2.095 20 5 CEBDMN O=C([O-])[C@]12C[C@H]1CCC[N@H+]2Cc1csc([N+](=O)[O-])c1 ZINC000903936383 635360929 /nfs/dbraw/zinc/36/09/29/635360929.db2.gz IKJQPOHWNXNNHG-SKDRFNHKSA-N 0 1 282.321 2.095 20 5 CEBDMN CC(C)(C)Oc1cccc(CNC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC000834532186 637856554 /nfs/dbraw/zinc/85/65/54/637856554.db2.gz OIQOVBKZXWMWRL-CHWSQXEVSA-N 0 1 292.335 2.145 20 5 CEBDMN CC[C@H](C)C(=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837366895 639205097 /nfs/dbraw/zinc/20/50/97/639205097.db2.gz CVEOQIKVQKLPTQ-QMMMGPOBSA-N 0 1 253.254 2.390 20 5 CEBDMN CC(C)NC(=O)CCNCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000228361539 639632322 /nfs/dbraw/zinc/63/23/22/639632322.db2.gz MDFYPLZTTVSBQJ-UHFFFAOYSA-N 0 1 299.758 2.253 20 5 CEBDMN Cc1cc(C)c(COC(=O)[C@@H]2CC2[N+](=O)[O-])c(F)c1 ZINC000841203437 639706130 /nfs/dbraw/zinc/70/61/30/639706130.db2.gz OUFFPEGCDGCPKW-BXKDBHETSA-N 0 1 267.256 2.151 20 5 CEBDMN O=C([O-])[C@@]12CCC[C@@H]1C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C2 ZINC000846283133 641259143 /nfs/dbraw/zinc/25/91/43/641259143.db2.gz DTCCIGJKOCNNKF-IUODEOHRSA-N 0 1 290.319 2.282 20 5 CEBDMN C[C@]1(C(=O)[O-])CCC[N@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000079487167 642927587 /nfs/dbraw/zinc/92/75/87/642927587.db2.gz PQGJSOIUVHTTSR-CYBMUJFWSA-N 0 1 282.271 2.173 20 5 CEBDMN CCN1CCC[C@H](NCc2ccc(C)c([N+](=O)[O-])c2)C1=O ZINC000922638952 643172145 /nfs/dbraw/zinc/17/21/45/643172145.db2.gz LOTRIVSVDUMDIA-ZDUSSCGKSA-N 0 1 291.351 2.004 20 5 CEBDMN Cc1nc(COC(=O)[C@@H]2CC2[N+](=O)[O-])sc1C(C)(C)C ZINC000922802171 643270128 /nfs/dbraw/zinc/27/01/28/643270128.db2.gz HTDISVWGNYLZDE-RKDXNWHRSA-N 0 1 298.364 2.457 20 5 CEBDMN CC1(C)C[C@H](O)CN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000877752385 650896313 /nfs/dbraw/zinc/89/63/13/650896313.db2.gz DQVDVVCOEPVOCG-LBPRGKRZSA-N 0 1 264.325 2.188 20 5 CEBDMN O=C(Nc1ccc(N2CCCCC2)cc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839465497 644237020 /nfs/dbraw/zinc/23/70/20/644237020.db2.gz OELTWCULTAMMKH-ZIAGYGMSSA-N 0 1 289.335 2.281 20 5 CEBDMN CC(C)(C)[C@H]1CCCC[C@@H]1NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839508293 644244960 /nfs/dbraw/zinc/24/49/60/644244960.db2.gz GRYBXVFNYYIAGI-NOOOWODRSA-N 0 1 268.357 2.373 20 5 CEBDMN CCN(Cc1ccc(C)cc1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839511223 644245148 /nfs/dbraw/zinc/24/51/48/644245148.db2.gz VKXAGYPOFLZIHD-CHWSQXEVSA-N 0 1 262.309 2.009 20 5 CEBDMN CSc1c(F)cccc1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000855249343 644282347 /nfs/dbraw/zinc/28/23/47/644282347.db2.gz HAZIQSGCTIJORY-HZGVNTEJSA-N 0 1 270.285 2.151 20 5 CEBDMN O=C(OCCC[C@H]1CCCO1)c1ccc([N+](=O)[O-])[nH]1 ZINC000756068220 644600156 /nfs/dbraw/zinc/60/01/56/644600156.db2.gz XCHSIVQYTLWTSJ-SECBINFHSA-N 0 1 268.269 2.039 20 5 CEBDMN Cc1cc(O)c(C(C)C)cc1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839699488 644777628 /nfs/dbraw/zinc/77/76/28/644777628.db2.gz BSLRZTBYGXMXHR-ZYHUDNBSSA-N 0 1 278.308 2.428 20 5 CEBDMN Cc1cccc([C@@H](C)NC(=O)[C@@H]2CC2[N+](=O)[O-])c1C ZINC000839683527 644784430 /nfs/dbraw/zinc/78/44/30/644784430.db2.gz OVXPLOFNKVKOFX-RAIGVLPGSA-N 0 1 262.309 2.146 20 5 CEBDMN C[C@H]1C[C@@H](c2ccccc2)N(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839764694 644796853 /nfs/dbraw/zinc/79/68/53/644796853.db2.gz GHINUEMMDUFZCZ-AHLTXXRQSA-N 0 1 274.320 2.261 20 5 CEBDMN Cc1ccccc1C[C@H](C)N(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839742483 644802088 /nfs/dbraw/zinc/80/20/88/644802088.db2.gz YKBMVQPWKPXISD-IACUBPJLSA-N 0 1 276.336 2.050 20 5 CEBDMN O=C(N[C@@H]1CC[C@@H](c2ccc(F)cc2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000839748655 644804869 /nfs/dbraw/zinc/80/48/69/644804869.db2.gz ULBDWPDELNXZNA-FMKGYKFTSA-N 0 1 292.310 2.243 20 5 CEBDMN CC[C@@H](c1cccc(OC)c1)N(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839772192 644810311 /nfs/dbraw/zinc/81/03/11/644810311.db2.gz ZACOFXNKUJYYQF-HZSPNIEDSA-N 0 1 292.335 2.270 20 5 CEBDMN Cc1cc(F)cc(C(=O)Nc2cnoc2)c1[N+](=O)[O-] ZINC000758465156 644932972 /nfs/dbraw/zinc/93/29/72/644932972.db2.gz ITFGAHBDQAHEJJ-UHFFFAOYSA-N 0 1 265.200 2.283 20 5 CEBDMN COCCCN(C)Cn1nc(C)c2cc([N+](=O)[O-])ccc21 ZINC000764928914 645711753 /nfs/dbraw/zinc/71/17/53/645711753.db2.gz TXTZKPXIUCTGPX-UHFFFAOYSA-N 0 1 292.339 2.179 20 5 CEBDMN O=C(OCc1ccc2c[nH]nc2c1)c1ccc([N+](=O)[O-])[nH]1 ZINC000768789858 646165146 /nfs/dbraw/zinc/16/51/46/646165146.db2.gz NNUWVDCQIXBUSZ-UHFFFAOYSA-N 0 1 286.247 2.156 20 5 CEBDMN O=[N+]([O-])c1ccc(CNC[C@@H](O)c2ccco2)c(F)c1 ZINC000778076457 647198508 /nfs/dbraw/zinc/19/85/08/647198508.db2.gz XTTIUFJJZYNPKX-GFCCVEGCSA-N 0 1 280.255 2.150 20 5 CEBDMN C[C@@H]1CCN(Cc2ccc([N+](=O)[O-])c(Cl)c2)[C@@H]1CO ZINC000785984656 647975380 /nfs/dbraw/zinc/97/53/80/647975380.db2.gz RBCNPTPVHFNWGL-NOZJJQNGSA-N 0 1 284.743 2.451 20 5 CEBDMN C[C@H]1CCN(Cc2ccc([N+](=O)[O-])c(Cl)c2)[C@H]1CO ZINC000785984659 647975857 /nfs/dbraw/zinc/97/58/57/647975857.db2.gz RBCNPTPVHFNWGL-ZANVPECISA-N 0 1 284.743 2.451 20 5 CEBDMN CCC(CC)NC(=O)[C@](C)(N)c1cccc([N+](=O)[O-])c1 ZINC000867943372 647996003 /nfs/dbraw/zinc/99/60/03/647996003.db2.gz SUBZLNZNIXKEDS-CQSZACIVSA-N 0 1 279.340 2.074 20 5 CEBDMN CCC(CC)CNC(=O)[C@@](C)(N)c1cccc([N+](=O)[O-])c1 ZINC000867956115 648001243 /nfs/dbraw/zinc/00/12/43/648001243.db2.gz NOQCOCYGLBFSNZ-HNNXBMFYSA-N 0 1 293.367 2.321 20 5 CEBDMN C[C@@](N)(C(=O)NCCC1(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000867974115 648006993 /nfs/dbraw/zinc/00/69/93/648006993.db2.gz PKTVQJBSSQRBFU-HNNXBMFYSA-N 0 1 291.351 2.075 20 5 CEBDMN O=[N+]([O-])CCN(CCc1cccc(F)c1)C1CC1 ZINC000791051658 648476449 /nfs/dbraw/zinc/47/64/49/648476449.db2.gz HSXRNQBJVNECMI-UHFFFAOYSA-N 0 1 252.289 2.109 20 5 CEBDMN C[C@@H](N[C@H](CO)CCF)c1c(F)cccc1[N+](=O)[O-] ZINC000872085512 649269036 /nfs/dbraw/zinc/26/90/36/649269036.db2.gz ZIZGTKMQDXSKTJ-BDAKNGLRSA-N 0 1 274.267 2.105 20 5 CEBDMN C[C@@H](NC[C@H]1C[C@@H](O)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872089986 649270473 /nfs/dbraw/zinc/27/04/73/649270473.db2.gz JCMYZFOEJAPLFB-BBBLOLIVSA-N 0 1 268.288 2.155 20 5 CEBDMN CSCc1n[nH]c(CNc2sccc2[N+](=O)[O-])n1 ZINC000884695170 652968163 /nfs/dbraw/zinc/96/81/63/652968163.db2.gz MUXVQKAMBHLDBX-UHFFFAOYSA-N 0 1 285.354 2.250 20 5 CEBDMN CSCc1nnc(CNc2sccc2[N+](=O)[O-])[nH]1 ZINC000884695170 652968164 /nfs/dbraw/zinc/96/81/64/652968164.db2.gz MUXVQKAMBHLDBX-UHFFFAOYSA-N 0 1 285.354 2.250 20 5 CEBDMN C[C@@H]1CN(C)[C@@H](C)CN1c1nccc(Cl)c1[N+](=O)[O-] ZINC001164629720 719153019 /nfs/dbraw/zinc/15/30/19/719153019.db2.gz CNQMOMVTCRJYPV-DTWKUNHWSA-N 0 1 284.747 2.172 20 5 CEBDMN Cc1cc([N+](=O)[O-])c(N2C[C@@H](C)N(C)C[C@H]2C)nc1Cl ZINC001164641408 719181536 /nfs/dbraw/zinc/18/15/36/719181536.db2.gz WBUSJUVLZPSPKX-NXEZZACHSA-N 0 1 298.774 2.480 20 5 CEBDMN CCCCO[C@@H]1C[C@@H](N(C)C(=O)[C@@H]2CC2[N+](=O)[O-])C1(C)C ZINC001126918787 806809138 /nfs/dbraw/zinc/80/91/38/806809138.db2.gz KOZSHGXIUMGLCE-FDYHWXHSSA-N 0 1 298.383 2.094 20 5 CEBDMN Cc1n[nH]c(CNCc2ccc([N+](=O)[O-])cc2)c1C ZINC000716449318 815124862 /nfs/dbraw/zinc/12/48/62/815124862.db2.gz ZXAVMUORGAKEOZ-UHFFFAOYSA-N 0 1 260.297 2.225 20 5 CEBDMN CN(Cc1cc(Cl)ccc1[N+](=O)[O-])C[C@H](O)C1CC1 ZINC000690277376 808033299 /nfs/dbraw/zinc/03/32/99/808033299.db2.gz UQWHAANOTXVKRU-ZDUSSCGKSA-N 0 1 284.743 2.451 20 5 CEBDMN CC/C=C(\C)C(=O)NCCNCc1ccccc1[N+](=O)[O-] ZINC001124345430 808176762 /nfs/dbraw/zinc/17/67/62/808176762.db2.gz WFZLKGCVNPFOHS-WUXMJOGZSA-N 0 1 291.351 2.157 20 5 CEBDMN CCCOC[C@H](C)Oc1nc(C)cc(O)c1[N+](=O)[O-] ZINC001231258820 810610957 /nfs/dbraw/zinc/61/09/57/810610957.db2.gz CSZFYFFWCAKVHU-VIFPVBQESA-N 0 1 270.285 2.198 20 5 CEBDMN COc1ccc(C[C@H](C)NCc2cocn2)c([N+](=O)[O-])c1 ZINC001170309950 812391228 /nfs/dbraw/zinc/39/12/28/812391228.db2.gz UJNNPRMMMBLZRC-JTQLQIEISA-N 0 1 291.307 2.312 20 5 CEBDMN CCC(C)(C)C(=O)NCCNCc1ccccc1[N+](=O)[O-] ZINC001133167465 813004840 /nfs/dbraw/zinc/00/48/40/813004840.db2.gz MSOPBTONIUEIRR-UHFFFAOYSA-N 0 1 293.367 2.237 20 5 CEBDMN C[C@H](Cc1ccc([N+](=O)[O-])cc1)NCc1ncc(F)cn1 ZINC001173210815 815635669 /nfs/dbraw/zinc/63/56/69/815635669.db2.gz OBVKVRGGPJFORO-SNVBAGLBSA-N 0 1 290.298 2.245 20 5 CEBDMN CN(Cc1ccc([N+](=O)[O-])c(F)c1)[C@@H]1CCCOC1 ZINC000401494224 815905429 /nfs/dbraw/zinc/90/54/29/815905429.db2.gz TXAKZUICVSNFMC-LLVKDONJSA-N 0 1 268.288 2.345 20 5 CEBDMN O=C([O-])C[C@@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000042295050 362078482 /nfs/dbraw/zinc/07/84/82/362078482.db2.gz OZPKZOYCQRIHLX-LBPRGKRZSA-N 0 1 264.281 2.034 20 5 CEBDMN COc1cc([N+](=O)[O-])ccc1N1N=C2CCC[C@H]2C1=O ZINC000601935719 346931469 /nfs/dbraw/zinc/93/14/69/346931469.db2.gz MEODDWPTNQXOJA-SECBINFHSA-N 0 1 275.264 2.106 20 5 CEBDMN COc1cc([N+](=O)[O-])ccc1-n1[nH]c2c(c1=O)CCC2 ZINC000601935719 346931472 /nfs/dbraw/zinc/93/14/72/346931472.db2.gz MEODDWPTNQXOJA-SECBINFHSA-N 0 1 275.264 2.106 20 5 CEBDMN COc1cc([N+](=O)[O-])ccc1N1N=C2CCC[C@@H]2C1=O ZINC000601935720 346931596 /nfs/dbraw/zinc/93/15/96/346931596.db2.gz MEODDWPTNQXOJA-VIFPVBQESA-N 0 1 275.264 2.106 20 5 CEBDMN COc1cc([N+](=O)[O-])ccc1-n1[nH]c2c(c1=O)CCC2 ZINC000601935720 346931598 /nfs/dbraw/zinc/93/15/98/346931598.db2.gz MEODDWPTNQXOJA-VIFPVBQESA-N 0 1 275.264 2.106 20 5 CEBDMN C[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])[C@@H](C)c1ccccc1 ZINC000127321521 365740637 /nfs/dbraw/zinc/74/06/37/365740637.db2.gz LPPCACXTPQIQAK-ZJUUUORDSA-N 0 1 288.307 2.240 20 5 CEBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(Cc2ccccc2)CC1 ZINC000044260916 343469174 /nfs/dbraw/zinc/46/91/74/343469174.db2.gz WGYZRJXEYKFUQB-HUUCEWRRSA-N 0 1 288.347 2.133 20 5 CEBDMN O=C([C@H]1CC1[N+](=O)[O-])N1CCC(Cc2ccccc2)CC1 ZINC000044260919 343469426 /nfs/dbraw/zinc/46/94/26/343469426.db2.gz WGYZRJXEYKFUQB-LSDHHAIUSA-N 0 1 288.347 2.133 20 5 CEBDMN O=C(N[C@@H](c1ccco1)c1ccccc1)[C@@H]1CC1[N+](=O)[O-] ZINC000044358292 343470325 /nfs/dbraw/zinc/47/03/25/343470325.db2.gz MRKNAHGTSKSQQS-MBNYWOFBSA-N 0 1 286.287 2.150 20 5 CEBDMN C[C@H]1CCCCN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000047454616 343515695 /nfs/dbraw/zinc/51/56/95/343515695.db2.gz KVSNHUSLPZUBQE-VIFPVBQESA-N 0 1 288.307 2.486 20 5 CEBDMN Cc1cc([N+](=O)[O-])cnc1NCc1n[nH]c(C(C)C)n1 ZINC000295002412 199293991 /nfs/dbraw/zinc/29/39/91/199293991.db2.gz RQFYNPYSTLHYMP-UHFFFAOYSA-N 0 1 276.300 2.152 20 5 CEBDMN O=C([O-])C12CCC(CC1)[N@H+]2Cc1cccc([N+](=O)[O-])c1 ZINC000601965759 346945344 /nfs/dbraw/zinc/94/53/44/346945344.db2.gz YSHWIQZJGBZHIH-UHFFFAOYSA-N 0 1 276.292 2.176 20 5 CEBDMN CC(=O)NC1CCN([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000075676338 343862016 /nfs/dbraw/zinc/86/20/16/343862016.db2.gz YSSJITPLRRGQCJ-NSHDSACASA-N 0 1 291.351 2.256 20 5 CEBDMN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@H](C)N(C)C ZINC000078694085 343961887 /nfs/dbraw/zinc/96/18/87/343961887.db2.gz DZBVQWDZPNVYMP-LBPRGKRZSA-N 0 1 293.367 2.282 20 5 CEBDMN O=[N+]([O-])c1ccccc1CN1CCC(c2nnc[nH]2)CC1 ZINC000083443668 344077548 /nfs/dbraw/zinc/07/75/48/344077548.db2.gz DHPUSVAIWAHGBW-UHFFFAOYSA-N 0 1 287.323 2.093 20 5 CEBDMN COC(=O)CC[N@@H+](Cc1cc([O-])ccc1[N+](=O)[O-])C(C)C ZINC000093383861 344222320 /nfs/dbraw/zinc/22/23/20/344222320.db2.gz WFGYXSUUCHHRNX-UHFFFAOYSA-N 0 1 296.323 2.074 20 5 CEBDMN CCOCC[N@H+](CC)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000092537548 344194792 /nfs/dbraw/zinc/19/47/92/344194792.db2.gz ROZVTQRNKPLGNM-UHFFFAOYSA-N 0 1 268.313 2.159 20 5 CEBDMN CCOCC[N@@H+](CC)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000092537548 344194795 /nfs/dbraw/zinc/19/47/95/344194795.db2.gz ROZVTQRNKPLGNM-UHFFFAOYSA-N 0 1 268.313 2.159 20 5 CEBDMN COc1ccc([N+](=O)[O-])cc1CN1CCCC[C@@H]1CCO ZINC000049801448 362376794 /nfs/dbraw/zinc/37/67/94/362376794.db2.gz CPEKMGBWQSBIKJ-CYBMUJFWSA-N 0 1 294.351 2.340 20 5 CEBDMN CCCCN(CCO)Cc1cc([N+](=O)[O-])ccc1OC ZINC000049800413 362376947 /nfs/dbraw/zinc/37/69/47/362376947.db2.gz UXIXGXVKGGVNSZ-UHFFFAOYSA-N 0 1 282.340 2.198 20 5 CEBDMN CC1(C)[C@H](O)C[C@H]1NCc1c(Cl)cccc1[N+](=O)[O-] ZINC000128451496 344336824 /nfs/dbraw/zinc/33/68/24/344336824.db2.gz GIMIIEFIDHRQQX-VXGBXAGGSA-N 0 1 284.743 2.497 20 5 CEBDMN C[N@H+]1CCC[C@H]1CNc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000227865165 344557014 /nfs/dbraw/zinc/55/70/14/344557014.db2.gz QKSDEZKFBQLHJK-NSHDSACASA-N 0 1 287.323 2.044 20 5 CEBDMN O=C([O-])C[C@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000054299730 362523726 /nfs/dbraw/zinc/52/37/26/362523726.db2.gz KYDHUPDTRSAHOJ-GFCCVEGCSA-N 0 1 278.308 2.282 20 5 CEBDMN COC(=O)c1ccc([N+](=O)[O-])c(CN(C)CC2CC2)c1 ZINC000589497288 345084324 /nfs/dbraw/zinc/08/43/24/345084324.db2.gz LQBITWCCEOOAPG-UHFFFAOYSA-N 0 1 278.308 2.223 20 5 CEBDMN Cc1cc(N[C@@H](CO)CCF)c2cc([N+](=O)[O-])ccc2n1 ZINC000593508539 345500479 /nfs/dbraw/zinc/50/04/79/345500479.db2.gz HOOBNVXGBVKUBG-SNVBAGLBSA-N 0 1 293.298 2.006 20 5 CEBDMN C[C@@H]1C[N@H+](Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CCS1 ZINC000593734108 345529339 /nfs/dbraw/zinc/52/93/39/345529339.db2.gz RKBSAIQNXSPJPN-SECBINFHSA-N 0 1 296.348 2.230 20 5 CEBDMN C[C@@H]1C[N@@H+](Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CCS1 ZINC000593734108 345529340 /nfs/dbraw/zinc/52/93/40/345529340.db2.gz RKBSAIQNXSPJPN-SECBINFHSA-N 0 1 296.348 2.230 20 5 CEBDMN CCC[C@H](C(=O)[O-])[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000593736309 345529566 /nfs/dbraw/zinc/52/95/66/345529566.db2.gz BIMMDJIQPBBMSW-CYBMUJFWSA-N 0 1 278.308 2.206 20 5 CEBDMN O=C(NC1CC2(CCC2)C1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000593880937 345547707 /nfs/dbraw/zinc/54/77/07/345547707.db2.gz BETKRFVWDVCBOC-UHFFFAOYSA-N 0 1 276.292 2.363 20 5 CEBDMN C[C@@H](O)[C@@H]1CCCCN1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595312430 345760022 /nfs/dbraw/zinc/76/00/22/345760022.db2.gz MLYAURMZMOIIMS-MFKMUULPSA-N 0 1 282.315 2.469 20 5 CEBDMN CCOc1ccc([N+](=O)[O-])cc1CN[C@@H]1C[C@]1(C)OC ZINC000594996973 345723572 /nfs/dbraw/zinc/72/35/72/345723572.db2.gz WMBPYTJAZFCIPO-KGLIPLIRSA-N 0 1 280.324 2.261 20 5 CEBDMN O=[N+]([O-])c1cc(F)ccc1CN1CCCCC[C@@H]1CO ZINC000595562209 345814547 /nfs/dbraw/zinc/81/45/47/345814547.db2.gz RVRBBODLIXGLFD-CYBMUJFWSA-N 0 1 282.315 2.471 20 5 CEBDMN Cc1noc(CN2CC[C@H](C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000595405169 345775042 /nfs/dbraw/zinc/77/50/42/345775042.db2.gz UXLZSXOFPBHCLH-DTWKUNHWSA-N 0 1 253.302 2.369 20 5 CEBDMN COc1cc([N+](=O)[O-])ccc1CN1C[C@@H](C)C(O)[C@H](C)C1 ZINC000595731362 345861649 /nfs/dbraw/zinc/86/16/49/345861649.db2.gz DHGVXTZASWVPQO-GHMZBOCLSA-N 0 1 294.351 2.052 20 5 CEBDMN O=[N+]([O-])c1ccc(CN2C[C@@H]3C[C@H](O)CC[C@@H]3C2)c(F)c1 ZINC000595633591 345833484 /nfs/dbraw/zinc/83/34/84/345833484.db2.gz PLHGXVBLOCOLKE-SCDSUCTJSA-N 0 1 294.326 2.327 20 5 CEBDMN C[C@H](O)[C@H]1CCCN1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595764995 345870087 /nfs/dbraw/zinc/87/00/87/345870087.db2.gz FUWFQPCWHMDWNY-JOYOIKCWSA-N 0 1 268.288 2.079 20 5 CEBDMN O=[N+]([O-])c1cccc(F)c1CN[C@H]1C[C@@H](O)C12CCC2 ZINC000595777663 345874538 /nfs/dbraw/zinc/87/45/38/345874538.db2.gz IVSURCFISSLCOJ-QWHCGFSZSA-N 0 1 280.299 2.127 20 5 CEBDMN CN(C)[C@H](CNc1cc[nH]c(=O)c1[N+](=O)[O-])c1ccco1 ZINC000596055496 345928990 /nfs/dbraw/zinc/92/89/90/345928990.db2.gz URBLNPDMLSOZPB-SNVBAGLBSA-N 0 1 292.295 2.003 20 5 CEBDMN Cc1cc(NCC[N@H+](C)C2CC2)c([N+](=O)[O-])s1 ZINC000596090131 345937110 /nfs/dbraw/zinc/93/71/10/345937110.db2.gz LWIKPNVYCPBJHE-UHFFFAOYSA-N 0 1 255.343 2.471 20 5 CEBDMN CCc1nc(CNc2cc(C)sc2[N+](=O)[O-])n[nH]1 ZINC000596254378 345981852 /nfs/dbraw/zinc/98/18/52/345981852.db2.gz CEUIMOJHWJGJOJ-UHFFFAOYSA-N 0 1 267.314 2.257 20 5 CEBDMN Cc1cc(N(C)Cc2cnc[nH]2)c(F)cc1[N+](=O)[O-] ZINC000596305409 345995332 /nfs/dbraw/zinc/99/53/32/345995332.db2.gz JARNKFGPTJWRHL-UHFFFAOYSA-N 0 1 264.260 2.402 20 5 CEBDMN CC(C)(C)N1CC[C@@H]1CNc1ncc([N+](=O)[O-])cc1F ZINC000596308677 345996238 /nfs/dbraw/zinc/99/62/38/345996238.db2.gz KIBIVPALYPLXMO-SECBINFHSA-N 0 1 282.319 2.414 20 5 CEBDMN CN1CC(C[N@@H+](C)C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000597202667 346147314 /nfs/dbraw/zinc/14/73/14/346147314.db2.gz HTDOXUYLAUFMGH-FNORWQNLSA-N 0 1 275.352 2.101 20 5 CEBDMN CC1(C)CC(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000598504217 346367133 /nfs/dbraw/zinc/36/71/33/346367133.db2.gz HZPNKFFXXHGQCW-UHFFFAOYSA-N 0 1 264.281 2.219 20 5 CEBDMN COc1cc([N+](=O)[O-])ccc1CN1CC[C@H](C)[C@H](CO)C1 ZINC000598647121 346391988 /nfs/dbraw/zinc/39/19/88/346391988.db2.gz NRRXASZHNOLFKK-AAEUAGOBSA-N 0 1 294.351 2.054 20 5 CEBDMN CC1CC(CNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000598778012 346417824 /nfs/dbraw/zinc/41/78/24/346417824.db2.gz GGDODRWWXRUVQV-UHFFFAOYSA-N 0 1 288.307 2.247 20 5 CEBDMN C[C@@H]1C[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])CC[C@@H]1C(=O)[O-] ZINC000600706062 346674388 /nfs/dbraw/zinc/67/43/88/346674388.db2.gz ZFWZHXGMBGNGNP-ZJUUUORDSA-N 0 1 296.298 2.277 20 5 CEBDMN C[C@@H]1CCN(Cc2cn(C)nc2[N+](=O)[O-])CC1(C)C ZINC000602615522 347104364 /nfs/dbraw/zinc/10/43/64/347104364.db2.gz INPXQAGXGWBWLV-SNVBAGLBSA-N 0 1 266.345 2.196 20 5 CEBDMN O=[N+]([O-])c1cnc2ccccc2c1N1CC(N2CCCC2)C1 ZINC000601194274 346783653 /nfs/dbraw/zinc/78/36/53/346783653.db2.gz XAWFLGUOYDNCNM-UHFFFAOYSA-N 0 1 298.346 2.427 20 5 CEBDMN Cc1n[nH]cc1CN(C)CCOc1cccc([N+](=O)[O-])c1 ZINC000602938748 347252174 /nfs/dbraw/zinc/25/21/74/347252174.db2.gz PWVIOBAKOQMXDI-UHFFFAOYSA-N 0 1 290.323 2.137 20 5 CEBDMN Cc1n[nH]cc1CN(C)CCOc1ccccc1[N+](=O)[O-] ZINC000602938794 347252377 /nfs/dbraw/zinc/25/23/77/347252377.db2.gz RHNYXRLYOBQCRJ-UHFFFAOYSA-N 0 1 290.323 2.137 20 5 CEBDMN CN[C@H](C)c1cn([C@H](C)c2cccc([N+](=O)[O-])c2)nn1 ZINC000603185624 347303194 /nfs/dbraw/zinc/30/31/94/347303194.db2.gz KSGYGBBUEZWXBA-NXEZZACHSA-N 0 1 275.312 2.076 20 5 CEBDMN Cc1cc(CNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)n[nH]1 ZINC000609594859 347645961 /nfs/dbraw/zinc/64/59/61/347645961.db2.gz IAQNGDHRUNHPKD-UHFFFAOYSA-N 0 1 299.290 2.038 20 5 CEBDMN COC1CCN(CCNc2ccsc2[N+](=O)[O-])CC1 ZINC000610573671 347692953 /nfs/dbraw/zinc/69/29/53/347692953.db2.gz NQBPFVDGVOURSE-UHFFFAOYSA-N 0 1 285.369 2.179 20 5 CEBDMN CCN1CCN(Cc2csc([N+](=O)[O-])c2)C[C@@H]1C ZINC000611092125 347739061 /nfs/dbraw/zinc/73/90/61/347739061.db2.gz JGYAJMVXKLKUGQ-JTQLQIEISA-N 0 1 269.370 2.182 20 5 CEBDMN COc1ccc(CN[C@@H](C)c2c[nH]nc2C)cc1[N+](=O)[O-] ZINC000611519159 347789987 /nfs/dbraw/zinc/78/99/87/347789987.db2.gz RPJDUNNQLARARV-VIFPVBQESA-N 0 1 290.323 2.486 20 5 CEBDMN CC[C@]1(NCc2cc(OC)c(F)cc2[N+](=O)[O-])CCOC1 ZINC000616865129 348580989 /nfs/dbraw/zinc/58/09/89/348580989.db2.gz BWPVDEZSYKWIEO-AWEZNQCLSA-N 0 1 298.314 2.401 20 5 CEBDMN CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCN(C)CC1 ZINC000104661085 186012322 /nfs/dbraw/zinc/01/23/22/186012322.db2.gz HEEZFGALCVNZPY-UHFFFAOYSA-N 0 1 293.367 2.129 20 5 CEBDMN CCN(CC1CC1)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000069747806 362996745 /nfs/dbraw/zinc/99/67/45/362996745.db2.gz PUASRMNMDVOWHQ-UHFFFAOYSA-N 0 1 288.307 2.343 20 5 CEBDMN Cc1nc(CSCc2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000291752155 198080013 /nfs/dbraw/zinc/08/00/13/198080013.db2.gz ZXJXUFUCCCUKLS-UHFFFAOYSA-N 0 1 264.310 2.455 20 5 CEBDMN CC(C)[C@@H]1CCC[C@@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000152445570 188019444 /nfs/dbraw/zinc/01/94/44/188019444.db2.gz XOYYPOFXJFCALX-NXEZZACHSA-N 0 1 280.328 2.263 20 5 CEBDMN O=[N+]([O-])c1cccc(CN(CCn2ccnc2)C2CC2)c1 ZINC000131770360 366087132 /nfs/dbraw/zinc/08/71/32/366087132.db2.gz JTDHHIXUQBGEQL-UHFFFAOYSA-N 0 1 286.335 2.456 20 5 CEBDMN CO[C@@H](CNCc1csc([N+](=O)[O-])c1)C1CC1 ZINC000292906728 198457113 /nfs/dbraw/zinc/45/71/13/198457113.db2.gz FBKIAMUHFGVRHJ-JTQLQIEISA-N 0 1 256.327 2.171 20 5 CEBDMN Cc1[nH]nc(C(=O)N2CC(C)(C)[C@H]3CCC[C@@H]32)c1[N+](=O)[O-] ZINC000294583409 199096317 /nfs/dbraw/zinc/09/63/17/199096317.db2.gz FOCKGVOAFDQTAA-UWVGGRQHSA-N 0 1 292.339 2.277 20 5 CEBDMN CC(C)(CCC(=O)Nc1ccc2nc[nH]c2c1)[N+](=O)[O-] ZINC000294840192 199207785 /nfs/dbraw/zinc/20/77/85/199207785.db2.gz YEVQXYFBPVRWDB-UHFFFAOYSA-N 0 1 276.296 2.337 20 5 CEBDMN Cc1cccc(C(C)(C)NC(=O)c2n[nH]cc2[N+](=O)[O-])c1 ZINC000137158818 366536907 /nfs/dbraw/zinc/53/69/07/366536907.db2.gz FMQFMVPECDWWKO-UHFFFAOYSA-N 0 1 288.307 2.291 20 5 CEBDMN CCC[N@@H+](Cc1cc([O-])ccc1[N+](=O)[O-])CC(C)(C)O ZINC000338962794 366593010 /nfs/dbraw/zinc/59/30/10/366593010.db2.gz HEYZUPSIPYHLTG-UHFFFAOYSA-N 0 1 282.340 2.283 20 5 CEBDMN C[N@@H+](CC[C@H]1CCCO1)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000339115997 366659342 /nfs/dbraw/zinc/65/93/42/366659342.db2.gz JTVZJYDJRKXAIK-CYBMUJFWSA-N 0 1 280.324 2.301 20 5 CEBDMN O=C([O-])[C@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000178901170 189153583 /nfs/dbraw/zinc/15/35/83/189153583.db2.gz DDINGZAVKKKQQQ-QMMMGPOBSA-N 0 1 284.699 2.155 20 5 CEBDMN CC[C@@H](C)NC(=O)CN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000181826374 189307456 /nfs/dbraw/zinc/30/74/56/189307456.db2.gz QYMCQIDJWBJYCS-VXGBXAGGSA-N 0 1 293.367 2.469 20 5 CEBDMN C[C@H](NCCn1ccc([N+](=O)[O-])n1)c1cccc(F)c1F ZINC000181951604 189310733 /nfs/dbraw/zinc/31/07/33/189310733.db2.gz TUQWZNCDVRWXHX-VIFPVBQESA-N 0 1 296.277 2.420 20 5 CEBDMN CCCCN(C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000023991610 361604798 /nfs/dbraw/zinc/60/47/98/361604798.db2.gz RMIWQJFYGXIFHJ-UHFFFAOYSA-N 0 1 265.313 2.265 20 5 CEBDMN O=[N+]([O-])c1ccsc1NCCCCN1CCOCC1 ZINC000301931475 201267013 /nfs/dbraw/zinc/26/70/13/201267013.db2.gz LQGCDYNVEHVAEE-UHFFFAOYSA-N 0 1 285.369 2.181 20 5 CEBDMN COCCCN(C)Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000092537166 364079532 /nfs/dbraw/zinc/07/95/32/364079532.db2.gz HSUJOGWODQCPCY-UHFFFAOYSA-N 0 1 298.339 2.080 20 5 CEBDMN CCn1cncc1CNCc1ccc([N+](=O)[O-])cc1 ZINC000090172167 364044703 /nfs/dbraw/zinc/04/47/03/364044703.db2.gz TVYOCHHEQNSXTL-UHFFFAOYSA-N 0 1 260.297 2.101 20 5 CEBDMN CCN(CCC(=O)OC)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094775819 364295396 /nfs/dbraw/zinc/29/53/96/364295396.db2.gz IPZBCMIISGSPMX-UHFFFAOYSA-N 0 1 284.287 2.119 20 5 CEBDMN CC(C)CCC[C@H](C)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000159569553 366927457 /nfs/dbraw/zinc/92/74/57/366927457.db2.gz LQWQNHYMAIVDQL-VIFPVBQESA-N 0 1 268.317 2.263 20 5 CEBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCC(=O)NC(C)C ZINC000160950805 367045645 /nfs/dbraw/zinc/04/56/45/367045645.db2.gz XDJNYLDNRYELDJ-LLVKDONJSA-N 0 1 279.340 2.078 20 5 CEBDMN CO[C@@H]1CCCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000170818407 367423007 /nfs/dbraw/zinc/42/30/07/367423007.db2.gz ZBCBCSQHASNRFO-CYBMUJFWSA-N 0 1 250.298 2.206 20 5 CEBDMN COC(=O)[C@@H](C)CN(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000171301557 367518242 /nfs/dbraw/zinc/51/82/42/367518242.db2.gz RWQSAGONUXRLDT-NSHDSACASA-N 0 1 292.335 2.368 20 5 CEBDMN CCc1[nH]nc(C(=O)N2CCC[C@H](C)CC2)c1[N+](=O)[O-] ZINC000171806020 367619046 /nfs/dbraw/zinc/61/90/46/367619046.db2.gz WRGLIBHXMKGQAW-VIFPVBQESA-N 0 1 280.328 2.143 20 5 CEBDMN Cc1ccc2c(c1)CC[C@@H]2NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000343203235 367704737 /nfs/dbraw/zinc/70/47/37/367704737.db2.gz UQNMQENDDACEHN-NSHDSACASA-N 0 1 286.291 2.044 20 5 CEBDMN C[C@@H](NC[C@@H](O)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000173345154 367899451 /nfs/dbraw/zinc/89/94/51/367899451.db2.gz CJFXJWQURPMQSZ-GMSGAONNSA-N 0 1 278.230 2.169 20 5 CEBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCC=C(F)C1 ZINC000349664650 369364552 /nfs/dbraw/zinc/36/45/52/369364552.db2.gz HBGLQWOURZNVBB-UHFFFAOYSA-N 0 1 290.254 2.170 20 5 CEBDMN COc1cc(CN2CCC[C@H](OC)C2)ccc1[N+](=O)[O-] ZINC000352404383 369713804 /nfs/dbraw/zinc/71/38/04/369713804.db2.gz GMGZCDVQGFKGOQ-LBPRGKRZSA-N 0 1 280.324 2.214 20 5 CEBDMN Cc1[nH]ncc1CNc1nc2ccccc2cc1[N+](=O)[O-] ZINC000352360122 369690715 /nfs/dbraw/zinc/69/07/15/369690715.db2.gz MDLCFEFLMBELPG-UHFFFAOYSA-N 0 1 283.291 2.209 20 5 CEBDMN CCO[C@@H]1COCC[C@@H]1NCc1ccc([N+](=O)[O-])cc1F ZINC000353163835 370048001 /nfs/dbraw/zinc/04/80/01/370048001.db2.gz CRMPGMMLNJRUGW-UONOGXRCSA-N 0 1 298.314 2.018 20 5 CEBDMN C[N@@H+](CCCCCO)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000227116516 370360503 /nfs/dbraw/zinc/36/05/03/370360503.db2.gz WLILBDSSRGUQPS-UHFFFAOYSA-N 0 1 297.311 2.097 20 5 CEBDMN CN(CCCCCO)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000227116516 370360508 /nfs/dbraw/zinc/36/05/08/370360508.db2.gz WLILBDSSRGUQPS-UHFFFAOYSA-N 0 1 297.311 2.097 20 5 CEBDMN Cc1c(CNc2ncnc3[nH]cnc32)cccc1[N+](=O)[O-] ZINC000231869199 370497511 /nfs/dbraw/zinc/49/75/11/370497511.db2.gz UXPYRYZUQMIJMN-UHFFFAOYSA-N 0 1 284.279 2.182 20 5 CEBDMN C[C@H]1CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])[C@@H]1C(=O)[O-] ZINC000235671316 370572284 /nfs/dbraw/zinc/57/22/84/370572284.db2.gz RGXSNJSRUCTUJD-GWCFXTLKSA-N 0 1 278.308 2.280 20 5 CEBDMN Cc1cc(C)c([N+](=O)[O-])c(N[C@@H]2CCN(C3CC3)C2)n1 ZINC000359087855 371332291 /nfs/dbraw/zinc/33/22/91/371332291.db2.gz YVPZSEHTPIYNFL-LLVKDONJSA-N 0 1 276.340 2.255 20 5 CEBDMN Cc1ccc(CN2CC[C@@H](O)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000249979527 371373139 /nfs/dbraw/zinc/37/31/39/371373139.db2.gz LEXFWUZYCVEIRW-SMDDNHRTSA-N 0 1 264.325 2.106 20 5 CEBDMN CCC[C@@H]1CNCCN1C(=O)c1cccc([N+](=O)[O-])c1C ZINC000359219995 371381489 /nfs/dbraw/zinc/38/14/89/371381489.db2.gz IBMLDNHGNBLLEV-GFCCVEGCSA-N 0 1 291.351 2.117 20 5 CEBDMN CO[C@@H]1CN(Cc2cccc([N+](=O)[O-])c2)CC[C@H]1C ZINC000251892700 371422953 /nfs/dbraw/zinc/42/29/53/371422953.db2.gz QKNYNJKEYGQIBR-BXUZGUMPSA-N 0 1 264.325 2.452 20 5 CEBDMN C[C@H]1CN(C)CCN1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000360027015 371500311 /nfs/dbraw/zinc/50/03/11/371500311.db2.gz CGEBRFWLJMJHDW-JTQLQIEISA-N 0 1 283.759 2.384 20 5 CEBDMN NC1(c2noc(-c3ccc([N+](=O)[O-])s3)n2)CCC1 ZINC000262007856 371796337 /nfs/dbraw/zinc/79/63/37/371796337.db2.gz UUBHPJKZODTMEG-UHFFFAOYSA-N 0 1 266.282 2.044 20 5 CEBDMN C[C@@H](C(=O)[O-])[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000262755880 371906202 /nfs/dbraw/zinc/90/62/02/371906202.db2.gz HRJXECOQKADNFG-VIFPVBQESA-N 0 1 264.281 2.032 20 5 CEBDMN COc1cc([N+](=O)[O-])ccc1CN1CC[C@H](CO)C[C@H]1C ZINC000344167675 217083112 /nfs/dbraw/zinc/08/31/12/217083112.db2.gz NQRAEFNENHOCDR-NEPJUHHUSA-N 0 1 294.351 2.196 20 5 CEBDMN Cc1c([C@@H](C)NC[C@@H](O)C(F)(F)F)cccc1[N+](=O)[O-] ZINC000268880954 372269970 /nfs/dbraw/zinc/26/99/70/372269970.db2.gz XPHLTNFRNAXWDG-LDYMZIIASA-N 0 1 292.257 2.477 20 5 CEBDMN Cc1cccc(N2CCC[C@H](c3nc[nH]n3)C2)c1[N+](=O)[O-] ZINC000364796551 372794733 /nfs/dbraw/zinc/79/47/33/372794733.db2.gz HJWRRRXZRIESEC-NSHDSACASA-N 0 1 287.323 2.405 20 5 CEBDMN C[C@@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC[C@@H]1c1ccccc1 ZINC000364837239 372796624 /nfs/dbraw/zinc/79/66/24/372796624.db2.gz JKBSCNLAILAWMG-FAAHXZRKSA-N 0 1 288.347 2.304 20 5 CEBDMN O=C(N[C@@H]1CCC[C@@H]1c1ccc(F)cc1)[C@H]1CC1[N+](=O)[O-] ZINC000365565632 372894895 /nfs/dbraw/zinc/89/48/95/372894895.db2.gz KAZTXCBCVIDWDO-RQJABVFESA-N 0 1 292.310 2.243 20 5 CEBDMN CC[C@H](NCc1cccc([N+](=O)[O-])c1)[C@@H](O)C(F)(F)F ZINC000271036109 373084610 /nfs/dbraw/zinc/08/46/10/373084610.db2.gz YEMVBXXWVFGFLM-WDEREUQCSA-N 0 1 292.257 2.386 20 5 CEBDMN COC(=O)[C@H]1CCN(C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000271078669 373107733 /nfs/dbraw/zinc/10/77/33/373107733.db2.gz IBTBVGHCWFFDGD-BPJJOFIESA-N 0 1 290.319 2.103 20 5 CEBDMN Cc1ccccc1C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000369070582 373328395 /nfs/dbraw/zinc/32/83/95/373328395.db2.gz AMNMBVGELQRLJS-CABCVRRESA-N 0 1 288.347 2.366 20 5 CEBDMN CCCN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)C1CC1 ZINC000272514590 373528616 /nfs/dbraw/zinc/52/86/16/373528616.db2.gz KJVIXTHPJQIHRV-UHFFFAOYSA-N 0 1 264.281 2.315 20 5 CEBDMN Cc1cccc2c1CN(CCn1ccc([N+](=O)[O-])n1)CC2 ZINC000277237910 374448632 /nfs/dbraw/zinc/44/86/32/374448632.db2.gz PGIHZVCBZRDOTH-UHFFFAOYSA-N 0 1 286.335 2.158 20 5 CEBDMN CCN1CCCN(c2cc([N+](=O)[O-])ccc2C(C)=O)CC1 ZINC000377141860 374800308 /nfs/dbraw/zinc/80/03/08/374800308.db2.gz YBYJOOXRFIFTGM-UHFFFAOYSA-N 0 1 291.351 2.329 20 5 CEBDMN O=C(NCc1cccc(-c2ccccn2)c1)[C@H]1CC1[N+](=O)[O-] ZINC000378249853 375053715 /nfs/dbraw/zinc/05/37/15/375053715.db2.gz HCJMYBIGYNWPIN-DZGCQCFKSA-N 0 1 297.314 2.030 20 5 CEBDMN C[C@H]1C[C@H](C)N(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000408150780 375418823 /nfs/dbraw/zinc/41/88/23/375418823.db2.gz RTEYWCOXUQADPX-IUCAKERBSA-N 0 1 288.307 2.342 20 5 CEBDMN Cc1[nH]nc(C(=O)N2CCCCC(C)(C)C2)c1[N+](=O)[O-] ZINC000408418407 375477554 /nfs/dbraw/zinc/47/75/54/375477554.db2.gz XTOLEMNIFVFBSF-UHFFFAOYSA-N 0 1 280.328 2.279 20 5 CEBDMN COC[C@@H](NCc1ccc([N+](=O)[O-])c(F)c1)[C@H]1CCCO1 ZINC000282609072 375529052 /nfs/dbraw/zinc/52/90/52/375529052.db2.gz YQODGMBOQIEKIA-TZMCWYRMSA-N 0 1 298.314 2.018 20 5 CEBDMN CC[N@H+]1CCN(Cc2ccc([N+](=O)[O-])c(F)c2)[C@H](C)C1 ZINC000286520483 375981399 /nfs/dbraw/zinc/98/13/99/375981399.db2.gz NEOZLEUEJXKUNU-LLVKDONJSA-N 0 1 281.331 2.260 20 5 CEBDMN COc1cc(CN2CCCC[C@H]2CCO)ccc1[N+](=O)[O-] ZINC000305814358 376501492 /nfs/dbraw/zinc/50/14/92/376501492.db2.gz JJKNOSXQESNRNB-ZDUSSCGKSA-N 0 1 294.351 2.340 20 5 CEBDMN O=[N+]([O-])c1ccc(NCCCc2nc[nH]n2)c2ncccc12 ZINC000315546155 376800038 /nfs/dbraw/zinc/80/00/38/376800038.db2.gz BEVROEFNOUKFRX-UHFFFAOYSA-N 0 1 298.306 2.306 20 5 CEBDMN C[C@@H](N[C@@H]1CCN(C2CC2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000331438186 377429659 /nfs/dbraw/zinc/42/96/59/377429659.db2.gz DCIYLBUUPLXYBC-QMTHXVAHSA-N 0 1 289.335 2.009 20 5 CEBDMN C[C@H](c1ccccc1[N+](=O)[O-])N1CCCOCC1 ZINC000332273207 377557489 /nfs/dbraw/zinc/55/74/89/377557489.db2.gz GWHCWMCCCXTWIM-LLVKDONJSA-N 0 1 250.298 2.378 20 5 CEBDMN CN(C)C1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000332439925 377605593 /nfs/dbraw/zinc/60/55/93/377605593.db2.gz JPVYSENTTZHYHG-UHFFFAOYSA-N 0 1 298.730 2.026 20 5 CEBDMN Cc1[nH]nc(C(=O)N2CCC[C@H]2CC(C)C)c1[N+](=O)[O-] ZINC000332693397 377671857 /nfs/dbraw/zinc/67/18/57/377671857.db2.gz VMDREWZSHQWXSS-JTQLQIEISA-N 0 1 280.328 2.277 20 5 CEBDMN CCc1nc(NC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000566774776 377768792 /nfs/dbraw/zinc/76/87/92/377768792.db2.gz XAOLKYIGOLVPBY-MRVPVSSYSA-N 0 1 289.295 2.018 20 5 CEBDMN CCc1n[nH]c(NC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC000566774776 377768800 /nfs/dbraw/zinc/76/88/00/377768800.db2.gz XAOLKYIGOLVPBY-MRVPVSSYSA-N 0 1 289.295 2.018 20 5 CEBDMN C[C@@H]1CC(C)(C)CC[C@@H]1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000132193077 296279413 /nfs/dbraw/zinc/27/94/13/296279413.db2.gz LMRWFFQZVYFEHJ-BDAKNGLRSA-N 0 1 280.328 2.263 20 5 CEBDMN CC[C@H](N[C@H]1CCCc2ccc([N+](=O)[O-])cc21)C(=O)NC ZINC000453413155 378894153 /nfs/dbraw/zinc/89/41/53/378894153.db2.gz SKMSBGNZSNNKKE-KBPBESRZSA-N 0 1 291.351 2.086 20 5 CEBDMN CCn1nccc1CCN(C)Cc1ccccc1[N+](=O)[O-] ZINC000278640860 194081381 /nfs/dbraw/zinc/08/13/81/194081381.db2.gz OWNYZPGZHJSQSE-UHFFFAOYSA-N 0 1 288.351 2.486 20 5 CEBDMN Cc1[nH]nc(C(=O)N2CCC[C@H]2C2CCCC2)c1[N+](=O)[O-] ZINC000299571247 379049029 /nfs/dbraw/zinc/04/90/29/379049029.db2.gz VXCKBTWDNJASAZ-NSHDSACASA-N 0 1 292.339 2.421 20 5 CEBDMN CN(CCN1CCCC1)c1ncc([N+](=O)[O-])cc1Cl ZINC000301299347 379251632 /nfs/dbraw/zinc/25/16/32/379251632.db2.gz ZUFOQVXYQWYCMC-UHFFFAOYSA-N 0 1 284.747 2.175 20 5 CEBDMN Cc1[nH]nc(C(=O)N2CC[C@H](CC(C)C)C2)c1[N+](=O)[O-] ZINC000266676395 190274850 /nfs/dbraw/zinc/27/48/50/190274850.db2.gz JKTFNOIXKHAHEM-SNVBAGLBSA-N 0 1 280.328 2.135 20 5 CEBDMN O=[N+]([O-])c1ccc(O)cc1CN1CCC[C@H]1c1ncon1 ZINC000555337288 380822009 /nfs/dbraw/zinc/82/20/09/380822009.db2.gz GQRGCYBDROAIAP-LBPRGKRZSA-N 0 1 290.279 2.021 20 5 CEBDMN CCOc1ccc([N+](=O)[O-])cc1CNCC1=CCCOC1 ZINC000288490585 197093617 /nfs/dbraw/zinc/09/36/17/197093617.db2.gz QVIUMBOWRZYGIA-UHFFFAOYSA-N 0 1 292.335 2.430 20 5 CEBDMN COCCN1CCC[C@@H]1CNc1c(F)cccc1[N+](=O)[O-] ZINC000342078449 130240496 /nfs/dbraw/zinc/24/04/96/130240496.db2.gz RAOYDRMOUZPMGZ-LLVKDONJSA-N 0 1 297.330 2.257 20 5 CEBDMN C[C@H]1CN(C2CC2)C[C@@H]1Nc1ncc([N+](=O)[O-])cc1F ZINC000413187518 394499963 /nfs/dbraw/zinc/49/99/63/394499963.db2.gz FGKHNFHJUZXXPE-UFBFGSQYSA-N 0 1 280.303 2.024 20 5 CEBDMN CCc1nc(NC(=O)c2cc([N+](=O)[O-])c(C)cc2C)n[nH]1 ZINC000421782005 394592668 /nfs/dbraw/zinc/59/26/68/394592668.db2.gz BDNARDAMOXEHAL-UHFFFAOYSA-N 0 1 289.295 2.144 20 5 CEBDMN CCc1n[nH]c(NC(=O)c2cc([N+](=O)[O-])c(C)cc2C)n1 ZINC000421782005 394592671 /nfs/dbraw/zinc/59/26/71/394592671.db2.gz BDNARDAMOXEHAL-UHFFFAOYSA-N 0 1 289.295 2.144 20 5 CEBDMN Cc1nc([C@H](C)N2CCc3ccc([N+](=O)[O-])cc3C2)n[nH]1 ZINC000331930035 394634388 /nfs/dbraw/zinc/63/43/88/394634388.db2.gz DTJBYHJEUVPAAX-VIFPVBQESA-N 0 1 287.323 2.141 20 5 CEBDMN C[C@@H]1[C@H](C)SCCN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000269275535 394716624 /nfs/dbraw/zinc/71/66/24/394716624.db2.gz IJERQCBXSDGJJJ-BDAKNGLRSA-N 0 1 296.348 2.266 20 5 CEBDMN Cn1c(Cl)cnc1CNCCc1ccccc1[N+](=O)[O-] ZINC000281838386 394860096 /nfs/dbraw/zinc/86/00/96/394860096.db2.gz YHIBSTRFHRGITI-UHFFFAOYSA-N 0 1 294.742 2.314 20 5 CEBDMN CO[C@@H](CNC(=O)c1cc(O)cc([N+](=O)[O-])c1)CC(C)C ZINC000416262083 395041557 /nfs/dbraw/zinc/04/15/57/395041557.db2.gz NVWXQVNADGPGKS-CYBMUJFWSA-N 0 1 296.323 2.091 20 5 CEBDMN COc1cc(N2C[C@@H](C)N(C)[C@@H](C)C2)c([N+](=O)[O-])cc1F ZINC000292699812 395203240 /nfs/dbraw/zinc/20/32/40/395203240.db2.gz FZNHKMLYDGHJAW-AOOOYVTPSA-N 0 1 297.330 2.271 20 5 CEBDMN C[C@@H]1C[N@@H+](Cc2ccccc2[N+](=O)[O-])C[C@]1(C)C(=O)[O-] ZINC000565487149 395473167 /nfs/dbraw/zinc/47/31/67/395473167.db2.gz UQJHSAYMFPUEKA-YGRLFVJLSA-N 0 1 278.308 2.137 20 5 CEBDMN O=[N+]([O-])c1ccc(CCSc2cn[nH]n2)cc1 ZINC000156015883 289187725 /nfs/dbraw/zinc/18/77/25/289187725.db2.gz WVZJRCJTFRBNDW-UHFFFAOYSA-N 0 1 250.283 2.048 20 5 CEBDMN C[C@@H]1C[C@H](c2ccccc2)[C@H](C)N1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000360538191 155322040 /nfs/dbraw/zinc/32/20/40/155322040.db2.gz JBHZUYHWNJFNKU-ZVJHWVFESA-N 0 1 288.347 2.445 20 5 CEBDMN CCC[N@@H+](CC(=O)[O-])Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000263418495 154084925 /nfs/dbraw/zinc/08/49/25/154084925.db2.gz OAVGSLUMKDTVFM-UHFFFAOYSA-N 0 1 266.297 2.200 20 5 CEBDMN O=[N+]([O-])c1ccccc1CN1CCC[C@@]12CCOC2 ZINC000367452364 156185984 /nfs/dbraw/zinc/18/59/84/156185984.db2.gz UGUZMIIIFORZOP-AWEZNQCLSA-N 0 1 262.309 2.350 20 5 CEBDMN CCc1ccc([C@@H]2CCCN2C(=O)[C@H]2CC2[N+](=O)[O-])o1 ZINC000368657572 156385711 /nfs/dbraw/zinc/38/57/11/156385711.db2.gz HEBPAIYDYFBFIF-SRVKXCTJSA-N 0 1 278.308 2.171 20 5 CEBDMN Cc1cc([C@H]2CCCN(c3ncc([N+](=O)[O-])s3)C2)[nH]n1 ZINC000375592017 157112894 /nfs/dbraw/zinc/11/28/94/157112894.db2.gz QARIGWVZOHWBIY-VIFPVBQESA-N 0 1 293.352 2.467 20 5 CEBDMN O=C(Nc1ccc2[nH]nnc2c1)c1cccc([N+](=O)[O-])c1 ZINC000176733798 165172862 /nfs/dbraw/zinc/17/28/62/165172862.db2.gz MTYWIYBBIXOJOZ-UHFFFAOYSA-N 0 1 283.247 2.118 20 5 CEBDMN COC[C@@H](C)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000035368082 172159756 /nfs/dbraw/zinc/15/97/56/172159756.db2.gz OIWSOTPXFGKJOZ-MRVPVSSYSA-N 0 1 258.705 2.373 20 5 CEBDMN O=C([O-])C[C@@H]1CCCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000038027956 174015854 /nfs/dbraw/zinc/01/58/54/174015854.db2.gz DYMZEDLVNNIHBA-AWEZNQCLSA-N 0 1 292.335 2.467 20 5 CEBDMN CCc1[nH]nc(C(=O)N(CC)C[C@H](C)CC)c1[N+](=O)[O-] ZINC000179523889 260053173 /nfs/dbraw/zinc/05/31/73/260053173.db2.gz RFJPDFUELRKXDC-SECBINFHSA-N 0 1 282.344 2.389 20 5 CEBDMN CC[C@H](C)[N@@H+](CCOc1cccc([N+](=O)[O-])c1)CC(=O)[O-] ZINC000236970581 270318222 /nfs/dbraw/zinc/31/82/22/270318222.db2.gz RTBSZXCJZRMUBF-NSHDSACASA-N 0 1 296.323 2.159 20 5 CEBDMN CC(C)c1[nH]nc(C(=O)N2CCC(C)CC2)c1[N+](=O)[O-] ZINC000408398328 276040366 /nfs/dbraw/zinc/04/03/66/276040366.db2.gz YEJXHBRVWZMKGE-UHFFFAOYSA-N 0 1 280.328 2.313 20 5 CEBDMN CC1(C)C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])c2ccccc2O1 ZINC000372016464 276147428 /nfs/dbraw/zinc/14/74/28/276147428.db2.gz FNUZUDLCIKGWSE-GRYCIOLGSA-N 0 1 290.319 2.070 20 5 CEBDMN Cc1ccc([N+](=O)[O-])c(C(=O)Nc2ncccc2O)c1 ZINC000145343657 280075978 /nfs/dbraw/zinc/07/59/78/280075978.db2.gz GCNUAHKGPDJBLB-UHFFFAOYSA-N 0 1 273.248 2.256 20 5 CEBDMN Cc1[nH]nc(C(=O)N2CC[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000354660752 280188607 /nfs/dbraw/zinc/18/86/07/280188607.db2.gz UDAVWQIDNOVPNU-NSHDSACASA-N 0 1 286.291 2.214 20 5 CEBDMN Cc1cc(N2CC[C@H](CO)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000228485418 280572911 /nfs/dbraw/zinc/57/29/11/280572911.db2.gz VCFZNTXLHCICKU-NSHDSACASA-N 0 1 287.319 2.270 20 5 CEBDMN CCc1[nH]nc(C(=O)N2CC3(CCC3)C[C@H]2C)c1[N+](=O)[O-] ZINC000372978895 281362491 /nfs/dbraw/zinc/36/24/91/281362491.db2.gz HVVPWHDOWBXXDE-SECBINFHSA-N 0 1 292.339 2.285 20 5 CEBDMN CCSCCN1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000158320623 289231820 /nfs/dbraw/zinc/23/18/20/289231820.db2.gz ZMHSHFCPUQFFTI-UHFFFAOYSA-N 0 1 295.408 2.470 20 5 CEBDMN CC(C)[C@H]1CN(c2ncc(Cl)cc2[N+](=O)[O-])CCN1C ZINC000487080542 290331040 /nfs/dbraw/zinc/33/10/40/290331040.db2.gz SVFXONNILPTSPT-GFCCVEGCSA-N 0 1 298.774 2.420 20 5 CEBDMN COc1cc(CN(C)C2CCOCC2)c([N+](=O)[O-])cc1F ZINC000546637078 298354560 /nfs/dbraw/zinc/35/45/60/298354560.db2.gz IMHWHRZBAKVKQQ-UHFFFAOYSA-N 0 1 298.314 2.353 20 5 CEBDMN O=[N+]([O-])c1ccccc1C[C@@H](NCc1ncccn1)C1CC1 ZINC000566688978 299015566 /nfs/dbraw/zinc/01/55/66/299015566.db2.gz HCNWOMLFOHYVMJ-CQSZACIVSA-N 0 1 298.346 2.496 20 5 CEBDMN CCOc1cc(N[C@H](C)c2nnc[nH]2)ccc1[N+](=O)[O-] ZINC000226500510 520766672 /nfs/dbraw/zinc/76/66/72/520766672.db2.gz RCPWPJJLKUECKE-MRVPVSSYSA-N 0 1 277.284 2.285 20 5 CEBDMN C[N@@H+](Cc1cc(F)ccc1[N+](=O)[O-])C(C)(C)C(=O)[O-] ZINC000061173641 523179742 /nfs/dbraw/zinc/17/97/42/523179742.db2.gz DSQRVNBGXQEQFO-UHFFFAOYSA-N 0 1 270.260 2.029 20 5 CEBDMN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCN(C)[C@@H](C)C1 ZINC000761079384 574518536 /nfs/dbraw/zinc/51/85/36/574518536.db2.gz QSTIKJDZPZMIHY-RYUDHWBXSA-N 0 1 263.341 2.292 20 5 CEBDMN C[C@H](Cn1cncn1)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000748820319 575198163 /nfs/dbraw/zinc/19/81/63/575198163.db2.gz VILBSQQUXIQROT-SECBINFHSA-N 0 1 295.730 2.018 20 5 CEBDMN C/C(=C/C[N@@H+](C)Cc1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC000825729551 601155857 /nfs/dbraw/zinc/15/58/57/601155857.db2.gz GMTUHNAPFMWUAC-YFHOEESVSA-N 0 1 264.281 2.058 20 5 CEBDMN C/C(=C/C[N@H+](C)Cc1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC000825729551 601155859 /nfs/dbraw/zinc/15/58/59/601155859.db2.gz GMTUHNAPFMWUAC-YFHOEESVSA-N 0 1 264.281 2.058 20 5 CEBDMN C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@](F)(C(=O)[O-])C1 ZINC000827949732 601442466 /nfs/dbraw/zinc/44/24/66/601442466.db2.gz OETKTHWAZNMUAH-RNCFNFMXSA-N 0 1 282.271 2.154 20 5 CEBDMN C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@](F)(C(=O)[O-])C1 ZINC000827949732 601442467 /nfs/dbraw/zinc/44/24/67/601442467.db2.gz OETKTHWAZNMUAH-RNCFNFMXSA-N 0 1 282.271 2.154 20 5 CEBDMN C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000227818370 601527704 /nfs/dbraw/zinc/52/77/04/601527704.db2.gz FHCZQXSSDRKHKQ-GIPNMCIBSA-N 0 1 278.308 2.308 20 5 CEBDMN C[C@H](C[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1Cl)C(=O)[O-] ZINC000049964265 623275987 /nfs/dbraw/zinc/27/59/87/623275987.db2.gz WUNYLKKJRBUXHF-MRVPVSSYSA-N 0 1 286.715 2.401 20 5 CEBDMN CCC(C)(C)[C@H]1CCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840403831 634401579 /nfs/dbraw/zinc/40/15/79/634401579.db2.gz QNPVRYWTKRPTJR-GMTAPVOTSA-N 0 1 254.330 2.079 20 5 CEBDMN C[C@@H]1CCCC[N@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000198148576 628569608 /nfs/dbraw/zinc/56/96/08/628569608.db2.gz BLXBCCFVERALFZ-GFCCVEGCSA-N 0 1 291.351 2.432 20 5 CEBDMN C[C@@H]1CCCCN1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000198148576 628569611 /nfs/dbraw/zinc/56/96/11/628569611.db2.gz BLXBCCFVERALFZ-GFCCVEGCSA-N 0 1 291.351 2.432 20 5 CEBDMN CC1(C)COC[C@H]1NCc1cc(F)ccc1[N+](=O)[O-] ZINC000313010273 628575687 /nfs/dbraw/zinc/57/56/87/628575687.db2.gz ACXDONUPVJEQHU-GFCCVEGCSA-N 0 1 268.288 2.249 20 5 CEBDMN Cc1nn(CN2C[C@H](C)[C@@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000841693786 628923914 /nfs/dbraw/zinc/92/39/14/628923914.db2.gz VMRSJMFIABNIRV-IQJOONFLSA-N 0 1 252.318 2.034 20 5 CEBDMN CN(CCc1c[nH]nn1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000821392433 634707986 /nfs/dbraw/zinc/70/79/86/634707986.db2.gz ZKTJDKCTFHHJNL-UHFFFAOYSA-N 0 1 295.730 2.041 20 5 CEBDMN O=C1CC[C@H](CN(Cc2ccc([N+](=O)[O-])cc2)C2CC2)O1 ZINC000821402228 634712504 /nfs/dbraw/zinc/71/25/04/634712504.db2.gz OKDXMPMYAPWVPK-CQSZACIVSA-N 0 1 290.319 2.265 20 5 CEBDMN C[C@@H]1[C@@H](Nc2nc3c(cc2[N+](=O)[O-])CCCC3)CC[N@H+]1C ZINC000895734959 630324976 /nfs/dbraw/zinc/32/49/76/630324976.db2.gz BGPVCLBBWBRRSA-PWSUYJOCSA-N 0 1 290.367 2.373 20 5 CEBDMN O=[N+]([O-])c1cnc(Nc2cnn(C3CCCC3)c2)nc1 ZINC000895888026 630389518 /nfs/dbraw/zinc/38/95/18/630389518.db2.gz XVLBSYGZZOKTAU-UHFFFAOYSA-N 0 1 274.284 2.440 20 5 CEBDMN C[C@@]1(COC(=O)c2ccc([N+](=O)[O-])[nH]2)C[C@@]1(F)Cl ZINC000821865224 634814226 /nfs/dbraw/zinc/81/42/26/634814226.db2.gz IYRRPZYTSPZIRX-UWVGGRQHSA-N 0 1 276.651 2.394 20 5 CEBDMN O=[N+]([O-])c1cccc([N+](=O)[O-])c1NCCN1CCCCC1 ZINC000804352193 631668998 /nfs/dbraw/zinc/66/89/98/631668998.db2.gz JCAAHVSTAOWUAQ-UHFFFAOYSA-N 0 1 294.311 2.401 20 5 CEBDMN Cn1cnc(CNCCc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000808403642 631957987 /nfs/dbraw/zinc/95/79/87/631957987.db2.gz PGZDKFVFHSJAAZ-UHFFFAOYSA-N 0 1 294.742 2.314 20 5 CEBDMN Cc1nc([C@H](C)OC(=O)c2cc(C)ccc2[N+](=O)[O-])n[nH]1 ZINC000840235906 632408353 /nfs/dbraw/zinc/40/83/53/632408353.db2.gz YNGLVNHZGYPSGA-QMMMGPOBSA-N 0 1 290.279 2.248 20 5 CEBDMN Cc1ccc(Cl)c(OC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC000840245455 632477368 /nfs/dbraw/zinc/47/73/68/632477368.db2.gz JMSMAEFNWRIVHG-VXNVDRBHSA-N 0 1 255.657 2.219 20 5 CEBDMN Cc1cc(NOCCOC(C)C)ncc1[N+](=O)[O-] ZINC000812488309 632538077 /nfs/dbraw/zinc/53/80/77/632538077.db2.gz DHIJOPXKAYPYCU-UHFFFAOYSA-N 0 1 255.274 2.067 20 5 CEBDMN Cc1cc(=NOCCOC(C)C)[nH]cc1[N+](=O)[O-] ZINC000812488309 632538080 /nfs/dbraw/zinc/53/80/80/632538080.db2.gz DHIJOPXKAYPYCU-UHFFFAOYSA-N 0 1 255.274 2.067 20 5 CEBDMN CCc1nc(C)c(COC(=O)c2ccc([N+](=O)[O-])[nH]2)o1 ZINC000814070024 632784754 /nfs/dbraw/zinc/78/47/54/632784754.db2.gz GCBITWWTICWREA-UHFFFAOYSA-N 0 1 279.252 2.139 20 5 CEBDMN Cc1nc(C)c(C(=O)N2CCc3ccc([N+](=O)[O-])cc32)[nH]1 ZINC000900099272 633414453 /nfs/dbraw/zinc/41/44/53/633414453.db2.gz OAJCZBIVNPZBNO-UHFFFAOYSA-N 0 1 286.291 2.138 20 5 CEBDMN Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CC[C@H](C(=O)[O-])C1 ZINC000901488525 634139927 /nfs/dbraw/zinc/13/99/27/634139927.db2.gz HICOOCBTDRZYEG-NSHDSACASA-N 0 1 278.308 2.118 20 5 CEBDMN C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+](C)CC(=O)[O-] ZINC000901573855 634195430 /nfs/dbraw/zinc/19/54/30/634195430.db2.gz CDZJNEQZXYSZBX-UXBLZVDNSA-N 0 1 264.281 2.015 20 5 CEBDMN C[C@H](C[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)[O-] ZINC000901597411 634203878 /nfs/dbraw/zinc/20/38/78/634203878.db2.gz GTCWXCBATBEICE-MRVPVSSYSA-N 0 1 286.715 2.401 20 5 CEBDMN Cc1ccc(N2CC[C@@H](c3nc[nH]n3)C2)c([N+](=O)[O-])c1 ZINC000819948624 634294809 /nfs/dbraw/zinc/29/48/09/634294809.db2.gz KVZJRUFXFDIATF-SNVBAGLBSA-N 0 1 273.296 2.015 20 5 CEBDMN O=[N+]([O-])CCN[C@H]1CCCc2c(F)cc(F)cc21 ZINC000905274219 636201568 /nfs/dbraw/zinc/20/15/68/636201568.db2.gz NWLGHOFIYFRTIM-LBPRGKRZSA-N 0 1 256.252 2.209 20 5 CEBDMN Cc1ccc([N+](=O)[O-])c(C)c1CN(C)[C@H]1CCOC1 ZINC000876690011 650401880 /nfs/dbraw/zinc/40/18/80/650401880.db2.gz DZLLQEJMSNRBLQ-LBPRGKRZSA-N 0 1 264.325 2.432 20 5 CEBDMN C[C@@H](C(=O)OCc1cc(O)ccc1[N+](=O)[O-])C1CC1 ZINC000837560313 639282632 /nfs/dbraw/zinc/28/26/32/639282632.db2.gz XSRZWLVHWJZXAQ-MRVPVSSYSA-N 0 1 265.265 2.390 20 5 CEBDMN CC(C)(C)OCC(=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837617138 639309584 /nfs/dbraw/zinc/30/95/84/639309584.db2.gz AWTSBUOKLLXBLP-UHFFFAOYSA-N 0 1 283.280 2.159 20 5 CEBDMN O=C(OCc1cc(O)ccc1[N+](=O)[O-])[C@H]1[C@@H]2CCC[C@@H]21 ZINC000837616877 639309839 /nfs/dbraw/zinc/30/98/39/639309839.db2.gz CWXLNMOHGNLBKC-PJXYFTJBSA-N 0 1 277.276 2.390 20 5 CEBDMN COC1(C(=O)OCc2cc(O)ccc2[N+](=O)[O-])CCCC1 ZINC000837665198 639332976 /nfs/dbraw/zinc/33/29/76/639332976.db2.gz BBMCSKZBLNJCMF-UHFFFAOYSA-N 0 1 295.291 2.303 20 5 CEBDMN O=[N+]([O-])c1cnn(CN2CCC[C@H]2C2CCC2)c1 ZINC000102885733 639357850 /nfs/dbraw/zinc/35/78/50/639357850.db2.gz TYDUWEFFFXUOED-LBPRGKRZSA-N 0 1 250.302 2.013 20 5 CEBDMN COc1ccc(COC(=O)[C@@H]2CC2[N+](=O)[O-])cc1Cl ZINC000840670930 639521232 /nfs/dbraw/zinc/52/12/32/639521232.db2.gz YUJOCJHBIYTDER-PSASIEDQSA-N 0 1 285.683 2.057 20 5 CEBDMN C[C@](N)(C(=O)NC1CC(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000876978315 650516316 /nfs/dbraw/zinc/51/63/16/650516316.db2.gz JNDOHGXFPJQPAS-OAHLLOKOSA-N 0 1 291.351 2.074 20 5 CEBDMN CCc1nc(C)c([C@H](C)OC(=O)[C@@H]2CC2[N+](=O)[O-])s1 ZINC000841125053 639685583 /nfs/dbraw/zinc/68/55/83/639685583.db2.gz CZWQZLRMBJAKOB-DJLDLDEBSA-N 0 1 284.337 2.283 20 5 CEBDMN CN(Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1)C1CCC1 ZINC000172964685 639833680 /nfs/dbraw/zinc/83/36/80/639833680.db2.gz SQSQOXDCXHWFOT-UHFFFAOYSA-N 0 1 287.323 2.295 20 5 CEBDMN CCc1ccc(/C=C\COC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC000842345599 640023478 /nfs/dbraw/zinc/02/34/78/640023478.db2.gz HOYHVCSTDSSTLZ-JHZNUDOXSA-N 0 1 275.304 2.471 20 5 CEBDMN C[C@@H]1CC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C[C@H]1C(=O)[O-] ZINC000842937912 640225319 /nfs/dbraw/zinc/22/53/19/640225319.db2.gz SOGGZBMQCGHJQN-BXKDBHETSA-N 0 1 296.298 2.277 20 5 CEBDMN CC(C)c1[nH]nc(-c2nc([C@H](N)C(C)C)no2)c1[N+](=O)[O-] ZINC000843151301 640310047 /nfs/dbraw/zinc/31/00/47/640310047.db2.gz XQLXRHVBXKGHED-SSDOTTSWSA-N 0 1 294.315 2.147 20 5 CEBDMN COC(=O)CC1(NCc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000844384918 640701857 /nfs/dbraw/zinc/70/18/57/640701857.db2.gz GMODLCJATGOZFK-UHFFFAOYSA-N 0 1 298.726 2.434 20 5 CEBDMN Cc1ccccc1C1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1 ZINC000844647095 640794590 /nfs/dbraw/zinc/79/45/90/640794590.db2.gz JFLXVQMBZXRQHH-DGCLKSJQSA-N 0 1 274.320 2.156 20 5 CEBDMN CO[C@H]1CCC[C@H](OC(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000920123849 641118700 /nfs/dbraw/zinc/11/87/00/641118700.db2.gz JFPFSCHBKICQTC-IUCAKERBSA-N 0 1 268.269 2.037 20 5 CEBDMN COC(=O)N(C)CCN(C)Cc1cccc([N+](=O)[O-])c1C ZINC000852571637 643478281 /nfs/dbraw/zinc/47/82/81/643478281.db2.gz ZDDACGKICABCFN-UHFFFAOYSA-N 0 1 295.339 2.033 20 5 CEBDMN O=[N+]([O-])c1ccnn1CN(CCC1CC1)CC1CC1 ZINC000853606036 643831078 /nfs/dbraw/zinc/83/10/78/643831078.db2.gz JRNPTSODLAVBFX-UHFFFAOYSA-N 0 1 264.329 2.261 20 5 CEBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC2(CCCC2)[C@@H]1c1ccco1 ZINC000855486305 644367786 /nfs/dbraw/zinc/36/77/86/644367786.db2.gz LEUUZWZOPALPOL-WZRBSPASSA-N 0 1 290.319 2.389 20 5 CEBDMN O=C(N[C@@H](c1ccccc1)C(F)(F)F)[C@@H]1CC1[N+](=O)[O-] ZINC000839688442 644774585 /nfs/dbraw/zinc/77/45/85/644774585.db2.gz RWUSHROWBUHOMH-BBBLOLIVSA-N 0 1 288.225 2.071 20 5 CEBDMN C[C@H]1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])[C@@H]1c1cccc(F)c1 ZINC000839697394 644777341 /nfs/dbraw/zinc/77/73/41/644777341.db2.gz YFCCGCFRMQCWMI-VKKKGTNTSA-N 0 1 292.310 2.400 20 5 CEBDMN C[C@H]1CCc2ccccc2[C@H]1NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839715271 644790213 /nfs/dbraw/zinc/79/02/13/644790213.db2.gz CLTPSRCMIYYCPM-VKKKGTNTSA-N 0 1 274.320 2.091 20 5 CEBDMN CSc1cccc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1C ZINC000839717981 644790982 /nfs/dbraw/zinc/79/09/82/644790982.db2.gz HFUBWAQJOHDOTD-PSASIEDQSA-N 0 1 266.322 2.321 20 5 CEBDMN COc1cc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])ccc1OC(C)C ZINC000839725472 644793523 /nfs/dbraw/zinc/79/35/23/644793523.db2.gz NQXHCEXGPDHRMG-GHMZBOCLSA-N 0 1 294.307 2.086 20 5 CEBDMN C[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccc2ncsc2c1 ZINC000839728399 644794400 /nfs/dbraw/zinc/79/44/00/644794400.db2.gz KDDRNFXQRUTKRQ-BCMRRPTOSA-N 0 1 291.332 2.139 20 5 CEBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@@H](c2ccccc2)C1 ZINC000839779318 644814293 /nfs/dbraw/zinc/81/42/93/644814293.db2.gz OBNFAOMVZLIVEA-MGPQQGTHSA-N 0 1 274.320 2.058 20 5 CEBDMN Cc1ccc(C2(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)c(C)c1 ZINC000839781675 644815073 /nfs/dbraw/zinc/81/50/73/644815073.db2.gz XXEMOKPSYOTPDP-TZMCWYRMSA-N 0 1 288.347 2.116 20 5 CEBDMN C[C@@H](C(=O)NO[C@@H]1CCCCO1)c1cccc([N+](=O)[O-])c1 ZINC000761680717 645308168 /nfs/dbraw/zinc/30/81/68/645308168.db2.gz VAFUOIJQMISGTA-ZWNOBZJWSA-N 0 1 294.307 2.273 20 5 CEBDMN O=[N+]([O-])c1ccc(F)cc1CN1CC[C@@H]2CC[C@@H](O)[C@@H]21 ZINC000860127953 645707815 /nfs/dbraw/zinc/70/78/15/645707815.db2.gz FVZXRYQAFCPKTH-CUOATXAZSA-N 0 1 280.299 2.079 20 5 CEBDMN CCC[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])C1CCCC1 ZINC000839798728 645818087 /nfs/dbraw/zinc/81/80/87/645818087.db2.gz QENGXMJZPNVMHO-IJLUTSLNSA-N 0 1 254.330 2.127 20 5 CEBDMN CC(C)[C@@H](O)CCN1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000878303810 651059890 /nfs/dbraw/zinc/05/98/90/651059890.db2.gz ZQLNTPIOIVALTH-HNNXBMFYSA-N 0 1 278.352 2.360 20 5 CEBDMN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)OCCN1CCC1 ZINC000861389423 646169030 /nfs/dbraw/zinc/16/90/30/646169030.db2.gz LVPLKJCKSQTGOW-VAWYXSNFSA-N 0 1 290.319 2.247 20 5 CEBDMN CC(C)CCO[C@H]1CC[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000862898533 646596424 /nfs/dbraw/zinc/59/64/24/646596424.db2.gz ZZISKDSNIMPNKD-AAVRWANBSA-N 0 1 298.383 2.142 20 5 CEBDMN CSC(C)(C)CNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000780600545 647450189 /nfs/dbraw/zinc/45/01/89/647450189.db2.gz OYACFSKLHVHMQA-UHFFFAOYSA-N 0 1 284.337 2.172 20 5 CEBDMN CC1(C)C[C@@H](OC(=O)c2ccc([N+](=O)[O-])[nH]2)CCO1 ZINC000785917747 647969102 /nfs/dbraw/zinc/96/91/02/647969102.db2.gz KAPDHKAQMTZJLW-QMMMGPOBSA-N 0 1 268.269 2.037 20 5 CEBDMN CC(C)CN(CC[N+](=O)[O-])C[C@@H](O)c1ccc(F)cc1 ZINC000791051984 648475889 /nfs/dbraw/zinc/47/58/89/648475889.db2.gz JBJLQSYTPHBUCR-CQSZACIVSA-N 0 1 284.331 2.094 20 5 CEBDMN COc1ccc([C@@H]2CCCN2CC[N+](=O)[O-])cc1 ZINC000791053775 648477332 /nfs/dbraw/zinc/47/73/32/648477332.db2.gz PGHMRNFKNXGAJM-ZDUSSCGKSA-N 0 1 250.298 2.109 20 5 CEBDMN O=C(OC[C@@H]1C[C@H]1C1CC1)c1ccc([N+](=O)[O-])[nH]1 ZINC000870667627 648866722 /nfs/dbraw/zinc/86/67/22/648866722.db2.gz NJGPFDADCGWIKA-IUCAKERBSA-N 0 1 250.254 2.126 20 5 CEBDMN C[C@@H](O)CCN[C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872036103 649249512 /nfs/dbraw/zinc/24/95/12/649249512.db2.gz RVEQONTWHRJVEY-RKDXNWHRSA-N 0 1 256.277 2.155 20 5 CEBDMN C[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)[C@H](CO)C1 ZINC000879149377 651251785 /nfs/dbraw/zinc/25/17/85/651251785.db2.gz LOAYYZUUADUSTG-PWSUYJOCSA-N 0 1 282.315 2.327 20 5 CEBDMN C[C@@H]1CCN(Cc2ccc([N+](=O)[O-])c(F)c2)[C@H](CO)C1 ZINC000879149377 651251788 /nfs/dbraw/zinc/25/17/88/651251788.db2.gz LOAYYZUUADUSTG-PWSUYJOCSA-N 0 1 282.315 2.327 20 5 CEBDMN CC1(F)CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000879381969 651295265 /nfs/dbraw/zinc/29/52/65/651295265.db2.gz NWJOIYVYCFPUEC-CYBMUJFWSA-N 0 1 282.315 2.452 20 5 CEBDMN COc1ccc(OCCN2CCC(F)CC2)c([N+](=O)[O-])c1 ZINC000880242383 651407659 /nfs/dbraw/zinc/40/76/59/651407659.db2.gz XLXGJNSRWVFMHF-UHFFFAOYSA-N 0 1 298.314 2.416 20 5 CEBDMN O=[N+]([O-])c1ccc(Cl)cc1CN[C@@H]1CCOC1 ZINC000131430164 652424820 /nfs/dbraw/zinc/42/48/20/652424820.db2.gz QQSYCWZCTZCAKP-SNVBAGLBSA-N 0 1 256.689 2.127 20 5 CEBDMN Cc1ccc([N+](=O)[O-])c(C(=O)N2CCNC(C)(C)C2)c1C ZINC000884305304 652788961 /nfs/dbraw/zinc/78/89/61/652788961.db2.gz RPTMHMBAJMYPCU-UHFFFAOYSA-N 0 1 291.351 2.036 20 5 CEBDMN CN(Cc1cc(F)ccc1[N+](=O)[O-])C[C@H]1CCC[C@H]1O ZINC000689351305 806325318 /nfs/dbraw/zinc/32/53/18/806325318.db2.gz WEVFPRSDWQALNU-QMTHXVAHSA-N 0 1 282.315 2.327 20 5 CEBDMN C[C@@H]1CN(Cc2ccc([N+](=O)[O-])c(F)c2)C[C@]1(C)CO ZINC000694693897 803580431 /nfs/dbraw/zinc/58/04/31/803580431.db2.gz MPFWFOMTQVLMLV-QMTHXVAHSA-N 0 1 282.315 2.184 20 5 CEBDMN C[C@H]1C[N@H+](Cc2csc([N+](=O)[O-])c2)CC[C@H]1NC(=O)[O-] ZINC000739185566 810159270 /nfs/dbraw/zinc/15/92/70/810159270.db2.gz AKNYSGBDBSPGOM-WCBMZHEXSA-N 0 1 299.352 2.134 20 5 CEBDMN C[C@H]1C[N@@H+](Cc2csc([N+](=O)[O-])c2)CC[C@H]1NC(=O)[O-] ZINC000739185566 810159272 /nfs/dbraw/zinc/15/92/72/810159272.db2.gz AKNYSGBDBSPGOM-WCBMZHEXSA-N 0 1 299.352 2.134 20 5 CEBDMN O=[N+]([O-])C[C@H]1CC[C@H](NC2(c3cccc(F)c3)COC2)C1 ZINC001168972554 811321753 /nfs/dbraw/zinc/32/17/53/811321753.db2.gz NIAYEQBJPSGDTP-FZMZJTMJSA-N 0 1 294.326 2.086 20 5 CEBDMN CCN(CC(=O)OC(C)(C)C)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169040368 811350191 /nfs/dbraw/zinc/35/01/91/811350191.db2.gz ZJSZUSSNISEEAL-RYUDHWBXSA-N 0 1 286.372 2.095 20 5 CEBDMN COc1ccc(C[C@@H](C)NCc2ccon2)c([N+](=O)[O-])c1 ZINC001170297781 812376406 /nfs/dbraw/zinc/37/64/06/812376406.db2.gz RXDRZJCYSMHOCM-SNVBAGLBSA-N 0 1 291.307 2.312 20 5 CEBDMN O=C(c1cnc(C2CC2)[nH]1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001116676506 814875080 /nfs/dbraw/zinc/87/50/80/814875080.db2.gz PNCOPJRIIBSYCM-UHFFFAOYSA-N 0 1 298.302 2.351 20 5 CEBDMN Cc1ccc(C[N@H+](C)C[C@H](C)C(=O)[O-])cc1[N+](=O)[O-] ZINC000714019922 814882241 /nfs/dbraw/zinc/88/22/41/814882241.db2.gz MMJKRECCGBFIKM-JTQLQIEISA-N 0 1 266.297 2.056 20 5 CEBDMN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N(C)Cc1cnccn1 ZINC001173228622 815630770 /nfs/dbraw/zinc/63/07/70/815630770.db2.gz YIROMZPDCKGQJR-LBPRGKRZSA-N 0 1 286.335 2.448 20 5 CEBDMN O=C(N[C@@H](c1cccs1)C1CC1)c1n[nH]cc1[N+](=O)[O-] ZINC001141319464 816521276 /nfs/dbraw/zinc/52/12/76/816521276.db2.gz GUALDAKTSMQBJH-SNVBAGLBSA-N 0 1 292.320 2.261 20 5 CEBDMN CCN1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])s2)C(C)(C)C1 ZINC001178856216 816808837 /nfs/dbraw/zinc/80/88/37/816808837.db2.gz JFAOMEYZNPQFTR-SNVBAGLBSA-N 0 1 297.380 2.116 20 5 CEBDMN COc1cc([N+](=O)[O-])ccc1-n1[nH]c(C2(C)CC2)cc1=O ZINC000601934515 346930823 /nfs/dbraw/zinc/93/08/23/346930823.db2.gz CDIKGOOXJTYZPS-UHFFFAOYSA-N 0 1 289.291 2.496 20 5 CEBDMN COCCN(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000048023050 362240172 /nfs/dbraw/zinc/24/01/72/362240172.db2.gz ZUPMWMGYMGFPKV-UHFFFAOYSA-N 0 1 250.298 2.206 20 5 CEBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@@H]1c1cccs1 ZINC000044325257 343469440 /nfs/dbraw/zinc/46/94/40/343469440.db2.gz GCXNSSYTRAQEMQ-BBBLOLIVSA-N 0 1 266.322 2.077 20 5 CEBDMN CC[C@@H]1CCCCN1C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000064334246 343688648 /nfs/dbraw/zinc/68/86/48/343688648.db2.gz GRNFAFLDIUOEAP-SECBINFHSA-N 0 1 266.301 2.031 20 5 CEBDMN O=C([O-])[C@H]1CCC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000602067387 346968156 /nfs/dbraw/zinc/96/81/56/346968156.db2.gz RAQVMIXFRGZPAM-YIALFULDSA-N 0 1 290.319 2.405 20 5 CEBDMN Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000078181368 343942676 /nfs/dbraw/zinc/94/26/76/343942676.db2.gz ULSFYFMEDPNTKX-MXYBEHONSA-N 0 1 288.347 2.365 20 5 CEBDMN CC(=O)N(C)C1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000143618398 344405863 /nfs/dbraw/zinc/40/58/63/344405863.db2.gz REJJCDLSZGLJJI-UHFFFAOYSA-N 0 1 291.351 2.038 20 5 CEBDMN O=[N+]([O-])c1cc(C(F)(F)F)ccc1CN[C@H]1CCOC1 ZINC000602573074 347083376 /nfs/dbraw/zinc/08/33/76/347083376.db2.gz YCNLCPGAQKWZSW-JTQLQIEISA-N 0 1 290.241 2.492 20 5 CEBDMN Cc1nc([C@H](C)Nc2sccc2[N+](=O)[O-])n[nH]1 ZINC000588082540 345037926 /nfs/dbraw/zinc/03/79/26/345037926.db2.gz ZLPFQEOELPUVOF-YFKPBYRVSA-N 0 1 253.287 2.256 20 5 CEBDMN O=C(N[C@H]1CCCC1(F)F)c1cc(O)cc([N+](=O)[O-])c1 ZINC000588787469 345055264 /nfs/dbraw/zinc/05/52/64/345055264.db2.gz GSNLRQMIFZOCOG-JTQLQIEISA-N 0 1 286.234 2.218 20 5 CEBDMN O=[N+]([O-])c1cnc2c(c1)C[N@H+](CCC[C@H]1CCOC1)CC2 ZINC000592097772 345321460 /nfs/dbraw/zinc/32/14/60/345321460.db2.gz KREVEDXPQGBYPK-LBPRGKRZSA-N 0 1 291.351 2.165 20 5 CEBDMN O=[N+]([O-])c1ccccc1NCc1nc([C@H]2CCCN2)no1 ZINC000592356739 345344844 /nfs/dbraw/zinc/34/48/44/345344844.db2.gz HKAFQICNRWNJSE-SNVBAGLBSA-N 0 1 289.295 2.014 20 5 CEBDMN Cc1c(Cc2nc([C@H]3CCCN3)no2)cccc1[N+](=O)[O-] ZINC000592357010 345345092 /nfs/dbraw/zinc/34/50/92/345345092.db2.gz MJNYQIPWUMUXIF-LLVKDONJSA-N 0 1 288.307 2.302 20 5 CEBDMN CCc1[nH]nc(C(=O)N(C)CCC(C)(C)C)c1[N+](=O)[O-] ZINC000592835566 345402386 /nfs/dbraw/zinc/40/23/86/345402386.db2.gz FHRNVUWVTKZVDQ-UHFFFAOYSA-N 0 1 282.344 2.389 20 5 CEBDMN COc1ccc([N+](=O)[O-])cc1C[N@H+]1[C@@H](C)CC[C@H]1C(=O)[O-] ZINC000593290373 345462915 /nfs/dbraw/zinc/46/29/15/345462915.db2.gz HMCWPVKRLXIEJG-CABZTGNLSA-N 0 1 294.307 2.041 20 5 CEBDMN O=C([O-])[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@H]1C1CC1 ZINC000593754595 345533161 /nfs/dbraw/zinc/53/31/61/345533161.db2.gz FHSCVVDTWFCAAW-UONOGXRCSA-N 0 1 290.319 2.137 20 5 CEBDMN Cc1c(CNCc2cnc3n2CCC3)cccc1[N+](=O)[O-] ZINC000594938258 345710006 /nfs/dbraw/zinc/71/00/06/345710006.db2.gz LISUADABLPPYHH-UHFFFAOYSA-N 0 1 286.335 2.336 20 5 CEBDMN CCO[C@H]1C[C@H](NCc2csc([N+](=O)[O-])c2)C1 ZINC000594968445 345719333 /nfs/dbraw/zinc/71/93/33/345719333.db2.gz GVWFKVUQUKUIMS-MGCOHNPYSA-N 0 1 256.327 2.313 20 5 CEBDMN Cc1noc(CN[C@](C)(CO)C2CCCCC2)c1[N+](=O)[O-] ZINC000595334769 345764350 /nfs/dbraw/zinc/76/43/50/345764350.db2.gz VVXGSHDTWASRQM-CQSZACIVSA-N 0 1 297.355 2.312 20 5 CEBDMN Cc1noc(CN2CCC[C@@H]([C@H]3CCOC3)C2)c1[N+](=O)[O-] ZINC000595388988 345772174 /nfs/dbraw/zinc/77/21/74/345772174.db2.gz JXYHUTFMQCJPCQ-NEPJUHHUSA-N 0 1 295.339 2.140 20 5 CEBDMN C[C@@H](O)C[C@H]1CCCN1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595396419 345773385 /nfs/dbraw/zinc/77/33/85/345773385.db2.gz LOOJCSANNHDBGS-ZWNOBZJWSA-N 0 1 282.315 2.469 20 5 CEBDMN CO[C@H]1C[C@@H](N(C)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595489497 345794315 /nfs/dbraw/zinc/79/43/15/345794315.db2.gz BHQLWJYOXKQMGB-TXEJJXNPSA-N 0 1 268.288 2.343 20 5 CEBDMN CO[C@@H]1[C@@H](C)[C@@H](NCc2onc(C)c2[N+](=O)[O-])C1(C)C ZINC000595512165 345800989 /nfs/dbraw/zinc/80/09/89/345800989.db2.gz OAZJRHKEIFADNZ-UPZJHPNMSA-N 0 1 283.328 2.040 20 5 CEBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N(C)C[C@H]1COCCO1 ZINC000595738645 345863117 /nfs/dbraw/zinc/86/31/17/345863117.db2.gz XCLKYQFQPKYIPW-JSGCOSHPSA-N 0 1 294.351 2.311 20 5 CEBDMN COc1ccc([N+](=O)[O-])cc1CN1C[C@H](C)[C@@](C)(CO)C1 ZINC000595873717 345903840 /nfs/dbraw/zinc/90/38/40/345903840.db2.gz MTBFTSSCDMXWPJ-XHDPSFHLSA-N 0 1 294.351 2.054 20 5 CEBDMN O=[N+]([O-])c1ccccc1N1CCCc2[nH]ncc2C1 ZINC000596003945 345922906 /nfs/dbraw/zinc/92/29/06/345922906.db2.gz VRADECVMZFBBKH-UHFFFAOYSA-N 0 1 258.281 2.271 20 5 CEBDMN O=[N+]([O-])c1ccccc1C=CCN1CCc2n[nH]cc2C1 ZINC000598938667 346435261 /nfs/dbraw/zinc/43/52/61/346435261.db2.gz FOHVBWMPQCOJMZ-HYXAFXHYSA-N 0 1 284.319 2.389 20 5 CEBDMN CC1(C)OC[C@@H]2C[C@@]21NCc1ccc([N+](=O)[O-])cc1F ZINC000598988338 346442795 /nfs/dbraw/zinc/44/27/95/346442795.db2.gz OVOUPHJKJFNBRI-IINYFYTJSA-N 0 1 280.299 2.391 20 5 CEBDMN O=[N+]([O-])c1ccc(CN2CC[C@@H]3CC[C@@H](O)[C@@H]32)c(F)c1 ZINC000599680862 346563342 /nfs/dbraw/zinc/56/33/42/346563342.db2.gz IJXMHVKSXFFLON-CUOATXAZSA-N 0 1 280.299 2.079 20 5 CEBDMN Cc1noc(CN[C@]2(CO)CCCC(C)(C)C2)c1[N+](=O)[O-] ZINC000599593911 346543158 /nfs/dbraw/zinc/54/31/58/346543158.db2.gz GUVJMGRHZIHONP-CQSZACIVSA-N 0 1 297.355 2.312 20 5 CEBDMN CCC(F)(F)CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000600379819 346637214 /nfs/dbraw/zinc/63/72/14/346637214.db2.gz RMDADFFVFZTZFZ-UHFFFAOYSA-N 0 1 298.249 2.246 20 5 CEBDMN CCCc1[nH]nc(C(=O)N(C)[C@@H](C)C2CC2)c1[N+](=O)[O-] ZINC000600982653 346726064 /nfs/dbraw/zinc/72/60/64/346726064.db2.gz BZXGSCJGGRDTCI-QMMMGPOBSA-N 0 1 280.328 2.141 20 5 CEBDMN C[C@H]1CN(Cc2c(F)cc([N+](=O)[O-])cc2F)[C@@H](C)CN1C ZINC000351760323 219199741 /nfs/dbraw/zinc/19/97/41/219199741.db2.gz UHNGWRSRXRLICS-UWVGGRQHSA-N 0 1 299.321 2.397 20 5 CEBDMN Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC000600800249 346692098 /nfs/dbraw/zinc/69/20/98/346692098.db2.gz JYZMQCJMGPSUDR-SMDDNHRTSA-N 0 1 292.335 2.446 20 5 CEBDMN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)C12CC(C1)C2 ZINC000600815966 346696113 /nfs/dbraw/zinc/69/61/13/346696113.db2.gz AYSXNNMTJYUIBM-UHFFFAOYSA-N 0 1 299.290 2.119 20 5 CEBDMN CC[C@@H](C)N1CCN(c2ncc(F)cc2[N+](=O)[O-])CC1 ZINC000601172365 346777189 /nfs/dbraw/zinc/77/71/89/346777189.db2.gz ZGFMRZDQSZJCTF-SNVBAGLBSA-N 0 1 282.319 2.049 20 5 CEBDMN Cc1ncc([N+](=O)[O-])n1CCN(C)[C@H](C)c1ccco1 ZINC000602769210 347190603 /nfs/dbraw/zinc/19/06/03/347190603.db2.gz OGJVWFHHNFPILV-SNVBAGLBSA-N 0 1 278.312 2.386 20 5 CEBDMN Cc1ccc([C@H](C)NCc2cn(C)nc2[N+](=O)[O-])cc1 ZINC000602796646 347203048 /nfs/dbraw/zinc/20/30/48/347203048.db2.gz CDGDBOJSGDCCSJ-NSHDSACASA-N 0 1 274.324 2.488 20 5 CEBDMN Cc1cnc([C@@H](C)NCCn2c(C)ncc2[N+](=O)[O-])s1 ZINC000602811930 347209059 /nfs/dbraw/zinc/20/90/59/347209059.db2.gz ZXDXTQULKMBFSM-SECBINFHSA-N 0 1 295.368 2.215 20 5 CEBDMN Cc1ccoc1CN(C)CCn1c(C)ncc1[N+](=O)[O-] ZINC000602843309 347221445 /nfs/dbraw/zinc/22/14/45/347221445.db2.gz ZYLUPYJCXUQGRV-UHFFFAOYSA-N 0 1 278.312 2.133 20 5 CEBDMN CCC[C@@H]1C(=O)N(c2ccc([N+](=O)[O-])cn2)N=C1C ZINC000603921244 347398042 /nfs/dbraw/zinc/39/80/42/347398042.db2.gz NBPXNXRPONEGCD-JTQLQIEISA-N 0 1 262.269 2.129 20 5 CEBDMN CCN1CCN(c2c(C)cccc2[N+](=O)[O-])C[C@H]1C ZINC000611084504 347737222 /nfs/dbraw/zinc/73/72/22/347737222.db2.gz BWZMKAMUKFXCSI-GFCCVEGCSA-N 0 1 263.341 2.434 20 5 CEBDMN CCN1CCN(c2cc(OC)c(F)cc2[N+](=O)[O-])C[C@@H]1C ZINC000611084675 347737237 /nfs/dbraw/zinc/73/72/37/347737237.db2.gz IYLCFMBTVZVPTL-JTQLQIEISA-N 0 1 297.330 2.273 20 5 CEBDMN CCN1C[C@@H](C)N(c2ncc(C)cc2[N+](=O)[O-])C[C@@H]1C ZINC000611222048 347753357 /nfs/dbraw/zinc/75/33/57/347753357.db2.gz SDCODHVATUZIRE-NWDGAFQWSA-N 0 1 278.356 2.217 20 5 CEBDMN CC(C)C[C@H](N)c1noc(-c2ccc(N)c([N+](=O)[O-])c2)n1 ZINC000339368538 215127927 /nfs/dbraw/zinc/12/79/27/215127927.db2.gz WIAHOHUAZDJLKU-JTQLQIEISA-N 0 1 291.311 2.273 20 5 CEBDMN O=[N+]([O-])c1cnn(CCNc2cc[nH+]c3c([O-])cccc23)c1 ZINC000619485781 349187515 /nfs/dbraw/zinc/18/75/15/349187515.db2.gz GJLQSGQBQJPFMP-UHFFFAOYSA-N 0 1 299.290 2.157 20 5 CEBDMN Cc1[nH]nc(C(=O)N2CC[C@H](C)C3(CCC3)C2)c1[N+](=O)[O-] ZINC000271402936 191118341 /nfs/dbraw/zinc/11/83/41/191118341.db2.gz RTSDZPZBYRJVGE-VIFPVBQESA-N 0 1 292.339 2.279 20 5 CEBDMN CCOc1cc(CN2CC[C@H](O)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000292378334 198265155 /nfs/dbraw/zinc/26/51/55/198265155.db2.gz JIVJCUQOSGDZKC-AAEUAGOBSA-N 0 1 294.351 2.339 20 5 CEBDMN CC[C@@H]1CCCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000157314070 188310216 /nfs/dbraw/zinc/31/02/16/188310216.db2.gz ILVKJDNDJZJYGP-LLVKDONJSA-N 0 1 252.318 2.056 20 5 CEBDMN CCCNC(=O)CN[C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000158327202 188370243 /nfs/dbraw/zinc/37/02/43/188370243.db2.gz QXGOZJLEDUSDQV-LLVKDONJSA-N 0 1 279.340 2.080 20 5 CEBDMN Cc1[nH]nc(C(=O)N2CC(C3CCCCC3)C2)c1[N+](=O)[O-] ZINC000294412239 199030443 /nfs/dbraw/zinc/03/04/43/199030443.db2.gz UGRSWJJYJVIWGV-UHFFFAOYSA-N 0 1 292.339 2.279 20 5 CEBDMN Cc1nc(Nc2cnn(CC(C)C)c2)ncc1[N+](=O)[O-] ZINC000297083886 200081212 /nfs/dbraw/zinc/08/12/12/200081212.db2.gz KAOGTCQNDUWBNK-UHFFFAOYSA-N 0 1 276.300 2.289 20 5 CEBDMN C[C@H]1CCC[C@H](CO)[N@H+]1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000339040352 366627974 /nfs/dbraw/zinc/62/79/74/366627974.db2.gz BBJUCOVJXZAXSE-CMPLNLGQSA-N 0 1 280.324 2.036 20 5 CEBDMN O=[N+]([O-])c1ccc(O)cc1CN1CCC[C@H]1c1ncc[nH]1 ZINC000339064309 366637241 /nfs/dbraw/zinc/63/72/41/366637241.db2.gz DZIGOOGEVSITND-ZDUSSCGKSA-N 0 1 288.307 2.361 20 5 CEBDMN COCC(COC)N[C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000453364940 283538592 /nfs/dbraw/zinc/53/85/92/283538592.db2.gz WMUVKUWJIDPZNV-LLVKDONJSA-N 0 1 282.340 2.215 20 5 CEBDMN CN(Cc1csc([N+](=O)[O-])c1)C[C@@H]1CCOC1 ZINC000178360842 189110271 /nfs/dbraw/zinc/11/02/71/189110271.db2.gz OVOOOAXVMVFDDS-VIFPVBQESA-N 0 1 256.327 2.125 20 5 CEBDMN CO[C@H](C)[C@H](C)NCc1ccc([N+](=O)[O-])cc1F ZINC000342327519 216311209 /nfs/dbraw/zinc/31/12/09/216311209.db2.gz AXQHCMUUAIKLGO-DTWKUNHWSA-N 0 1 256.277 2.247 20 5 CEBDMN CCC[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)CC(=O)[O-] ZINC000184928925 189399338 /nfs/dbraw/zinc/39/93/38/189399338.db2.gz CIGCHMGOVBNUDB-UHFFFAOYSA-N 0 1 296.323 2.160 20 5 CEBDMN C[C@@H](c1ccccc1[N+](=O)[O-])N(C)CC1(CO)CC1 ZINC000275380427 193014470 /nfs/dbraw/zinc/01/44/70/193014470.db2.gz AYNDSYZRWIJLMM-NSHDSACASA-N 0 1 264.325 2.360 20 5 CEBDMN Cc1c(CN(C)C2(C(N)=O)CCCC2)cccc1[N+](=O)[O-] ZINC000120117940 365373826 /nfs/dbraw/zinc/37/38/26/365373826.db2.gz KAKDGVOLPYTTQZ-UHFFFAOYSA-N 0 1 291.351 2.133 20 5 CEBDMN COc1ccc([N+](=O)[O-])cc1CN1CCC[C@H](C)[C@H]1CO ZINC000159238397 366893113 /nfs/dbraw/zinc/89/31/13/366893113.db2.gz ZWZWNKPNELWPOF-SMDDNHRTSA-N 0 1 294.351 2.196 20 5 CEBDMN Cc1cccc([C@H](C)NC(=O)c2n[nH]cc2[N+](=O)[O-])c1C ZINC000160088094 366971893 /nfs/dbraw/zinc/97/18/93/366971893.db2.gz BZWXLAJLKQRQAK-JTQLQIEISA-N 0 1 288.307 2.426 20 5 CEBDMN CCC[C@H](O)CN1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000583793345 367096722 /nfs/dbraw/zinc/09/67/22/367096722.db2.gz JBHVTAJVWYXRIJ-LBPRGKRZSA-N 0 1 264.325 2.114 20 5 CEBDMN C[C@@H](O)[C@H]1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000162864408 367198031 /nfs/dbraw/zinc/19/80/31/367198031.db2.gz QXNZPQOZKVCYQA-ZJUUUORDSA-N 0 1 284.743 2.451 20 5 CEBDMN C[C@@H](C[S@@](C)=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000168205506 367350391 /nfs/dbraw/zinc/35/03/91/367350391.db2.gz WAAWQSXNZCRYCY-ASCAZGACSA-N 0 1 290.772 2.105 20 5 CEBDMN O=C([O-])[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000164618708 367290123 /nfs/dbraw/zinc/29/01/23/367290123.db2.gz OHBLPACWRDYHIO-SNVBAGLBSA-N 0 1 282.271 2.031 20 5 CEBDMN C[C@@H]1CN(CCOc2ccccc2[N+](=O)[O-])CCS1 ZINC000171688446 367592830 /nfs/dbraw/zinc/59/28/30/367592830.db2.gz HLAPVRAVDQKHBB-LLVKDONJSA-N 0 1 282.365 2.411 20 5 CEBDMN CCc1[nH]nc(C(=O)N2CCC(C(C)C)CC2)c1[N+](=O)[O-] ZINC000174380835 368016234 /nfs/dbraw/zinc/01/62/34/368016234.db2.gz NYOXICSZKLIYLG-UHFFFAOYSA-N 0 1 294.355 2.389 20 5 CEBDMN Cc1csc(C(C)(C)NCCn2ccc([N+](=O)[O-])n2)n1 ZINC000176247791 368216972 /nfs/dbraw/zinc/21/69/72/368216972.db2.gz LMFSILPXULNOSK-UHFFFAOYSA-N 0 1 295.368 2.081 20 5 CEBDMN CCOC(=O)C[C@H](C)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000182644706 368574885 /nfs/dbraw/zinc/57/48/85/368574885.db2.gz UKKAUNAONYXFTM-NSHDSACASA-N 0 1 280.324 2.368 20 5 CEBDMN C[C@@H]1CN(Cc2cc(O)ccc2[N+](=O)[O-])CC(C)(C)O1 ZINC000330609230 203035195 /nfs/dbraw/zinc/03/51/95/203035195.db2.gz NOQMVINCVKDKKF-SNVBAGLBSA-N 0 1 280.324 2.300 20 5 CEBDMN COC(=O)C1(CNCc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000188673434 369392665 /nfs/dbraw/zinc/39/26/65/369392665.db2.gz MWCDABUKFBNXSH-UHFFFAOYSA-N 0 1 298.726 2.291 20 5 CEBDMN CCN(C)C(=O)[C@H](C)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000188474207 369362318 /nfs/dbraw/zinc/36/23/18/369362318.db2.gz LXGNTFWDDGNCKR-RYUDHWBXSA-N 0 1 293.367 2.421 20 5 CEBDMN O=[N+]([O-])c1cc(Cl)ccc1CN(CCO)CC1CC1 ZINC000352469112 369745000 /nfs/dbraw/zinc/74/50/00/369745000.db2.gz WFVVVJGTVDXLQM-UHFFFAOYSA-N 0 1 284.743 2.453 20 5 CEBDMN Cc1cnc(CN(C)CCc2ccccc2[N+](=O)[O-])cn1 ZINC000352544290 369780230 /nfs/dbraw/zinc/78/02/30/369780230.db2.gz PQEWWEZHVHHRFX-UHFFFAOYSA-N 0 1 286.335 2.368 20 5 CEBDMN Cc1cc(CCNCc2ccc([N+](=O)[O-])cc2F)on1 ZINC000353084981 370012072 /nfs/dbraw/zinc/01/20/72/370012072.db2.gz JZEJRTULQVVPBA-UHFFFAOYSA-N 0 1 279.271 2.363 20 5 CEBDMN C[C@@H]1C[C@@H](O)C[C@H](C)N1Cc1ccccc1[N+](=O)[O-] ZINC000248944374 371271693 /nfs/dbraw/zinc/27/16/93/371271693.db2.gz CCOBWTFAOAZSSL-PTEHBNRSSA-N 0 1 264.325 2.329 20 5 CEBDMN O=C([C@H]1CC1[N+](=O)[O-])N1CCCC2(CCCCC2)C1 ZINC000362774352 372519532 /nfs/dbraw/zinc/51/95/32/372519532.db2.gz KCVZQTYOZQABCZ-NWDGAFQWSA-N 0 1 266.341 2.225 20 5 CEBDMN COCC1(O)CCN([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000270391746 372767714 /nfs/dbraw/zinc/76/77/14/372767714.db2.gz SNYBJWVYFFPBAN-LBPRGKRZSA-N 0 1 294.351 2.129 20 5 CEBDMN CCc1nc([C@H](C)Nc2ccc([N+](=O)[O-])c(C)n2)n[nH]1 ZINC000270620892 372868233 /nfs/dbraw/zinc/86/82/33/372868233.db2.gz CDGYUHTXIOVVAG-QMMMGPOBSA-N 0 1 276.300 2.152 20 5 CEBDMN O=C(N[C@@H]1CCC[C@@H]1c1ccc(F)cc1)[C@@H]1CC1[N+](=O)[O-] ZINC000365565635 372894352 /nfs/dbraw/zinc/89/43/52/372894352.db2.gz KAZTXCBCVIDWDO-SYQHCUMBSA-N 0 1 292.310 2.243 20 5 CEBDMN O=[N+]([O-])c1cccc(CN2CC([C@H]3CCOC3)C2)c1 ZINC000365563699 372894738 /nfs/dbraw/zinc/89/47/38/372894738.db2.gz UFXMTUKKKQJESL-LBPRGKRZSA-N 0 1 262.309 2.063 20 5 CEBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(c2ccsc2)CC1 ZINC000368880756 373284679 /nfs/dbraw/zinc/28/46/79/373284679.db2.gz BBXLJODWLAHUMC-VXGBXAGGSA-N 0 1 280.349 2.119 20 5 CEBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000369183765 373353375 /nfs/dbraw/zinc/35/33/75/373353375.db2.gz MNSNDWVSVUYKHU-UHTWSYAYSA-N 0 1 294.738 2.321 20 5 CEBDMN O=C(NC1CC(c2cccc(Cl)c2)C1)[C@H]1CC1[N+](=O)[O-] ZINC000371000532 373770639 /nfs/dbraw/zinc/77/06/39/373770639.db2.gz QGTQKEPWROZIDB-XMTWOHMPSA-N 0 1 294.738 2.367 20 5 CEBDMN C[C@@H]1C[C@H](c2ccccc2F)N(C(=O)[C@H]2CC2[N+](=O)[O-])C1 ZINC000371779604 373978074 /nfs/dbraw/zinc/97/80/74/373978074.db2.gz BQRNIEJCDIAJFC-MWQHPAIMSA-N 0 1 292.310 2.400 20 5 CEBDMN O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CC[C@@H](C3CC3)C2)c1 ZINC000372854599 374212760 /nfs/dbraw/zinc/21/27/60/374212760.db2.gz CSUFSJUNPISFHD-UKRRQHHQSA-N 0 1 276.336 2.360 20 5 CEBDMN C[C@H]1COCCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000374366120 374553145 /nfs/dbraw/zinc/55/31/45/374553145.db2.gz MZGPHUKRTXBTDC-LLVKDONJSA-N 0 1 250.298 2.063 20 5 CEBDMN C[C@H]1CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CCS1 ZINC000277694703 374613146 /nfs/dbraw/zinc/61/31/46/374613146.db2.gz DTGFNDNYLZLVOT-VIFPVBQESA-N 0 1 296.348 2.268 20 5 CEBDMN O=[N+]([O-])c1cccc(CNCc2cnc3n2CCCC3)c1 ZINC000376727626 374723170 /nfs/dbraw/zinc/72/31/70/374723170.db2.gz FPIQXVAMZROTNJ-UHFFFAOYSA-N 0 1 286.335 2.417 20 5 CEBDMN Cc1ccc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1-c1ncco1 ZINC000378164952 375033980 /nfs/dbraw/zinc/03/39/80/375033980.db2.gz BZYJAWHAZWSXAS-VXGBXAGGSA-N 0 1 287.275 2.254 20 5 CEBDMN C[S@](=O)C1(CNCc2csc([N+](=O)[O-])c2)CCC1 ZINC000280523488 375232112 /nfs/dbraw/zinc/23/21/12/375232112.db2.gz BFSDISXWEYHDFN-SFHVURJKSA-N 0 1 288.394 2.047 20 5 CEBDMN Cc1c([C@@H](C)N[C@H](C)C(=O)NCCF)cccc1[N+](=O)[O-] ZINC000282851284 375594199 /nfs/dbraw/zinc/59/41/99/375594199.db2.gz UCYJKMHOZWLWLF-GHMZBOCLSA-N 0 1 297.330 2.028 20 5 CEBDMN CCC[C@@H](NCc1cnnn1C)c1cccc([N+](=O)[O-])c1 ZINC000287475513 376242044 /nfs/dbraw/zinc/24/20/44/376242044.db2.gz WQEVQHNTEYFBNN-CQSZACIVSA-N 0 1 289.339 2.354 20 5 CEBDMN Cc1[nH]nc(C(=O)N2CCC[C@H]2C(C)(C)C)c1[N+](=O)[O-] ZINC000264240262 190098441 /nfs/dbraw/zinc/09/84/41/190098441.db2.gz NALIRKBNJIVJEQ-VIFPVBQESA-N 0 1 280.328 2.277 20 5 CEBDMN CCCc1[nH]nc(C(=O)N(CC)CCC)c1[N+](=O)[O-] ZINC000264584981 190120560 /nfs/dbraw/zinc/12/05/60/190120560.db2.gz AWLYZCBZTIOBNU-UHFFFAOYSA-N 0 1 268.317 2.143 20 5 CEBDMN Cn1cnc([N+](=O)[O-])c1CN1CCC[C@H]1C(C)(C)C ZINC000332613630 377646114 /nfs/dbraw/zinc/64/61/14/377646114.db2.gz DQSXSJAGWJEYBO-NSHDSACASA-N 0 1 266.345 2.339 20 5 CEBDMN Cc1[nH]nc(C(=O)N2CC3(CCC3)[C@@H]2C(C)C)c1[N+](=O)[O-] ZINC000293695548 377704939 /nfs/dbraw/zinc/70/49/39/377704939.db2.gz ICPCROIRPKHJPV-LBPRGKRZSA-N 0 1 292.339 2.277 20 5 CEBDMN CN(CCc1ccccc1[N+](=O)[O-])Cc1ccc(CO)o1 ZINC000567546164 377836951 /nfs/dbraw/zinc/83/69/51/377836951.db2.gz DBQHGOAWTCRMFO-UHFFFAOYSA-N 0 1 290.319 2.355 20 5 CEBDMN Cc1ccc2nc(CNc3ncc([N+](=O)[O-])s3)[nH]c2c1 ZINC000443505863 378056738 /nfs/dbraw/zinc/05/67/38/378056738.db2.gz CDRSURATLRCONY-UHFFFAOYSA-N 0 1 289.320 2.270 20 5 CEBDMN Cc1cc(NCCCCN2CCOCC2)ccc1[N+](=O)[O-] ZINC000298713436 378811279 /nfs/dbraw/zinc/81/12/79/378811279.db2.gz LOGRBOLXMUPKOZ-UHFFFAOYSA-N 0 1 293.367 2.428 20 5 CEBDMN COC[C@H](NCc1ccc([N+](=O)[O-])cc1F)[C@@H]1CCCO1 ZINC000278542310 194035028 /nfs/dbraw/zinc/03/50/28/194035028.db2.gz AABVGYJGTDYVLG-KBPBESRZSA-N 0 1 298.314 2.018 20 5 CEBDMN Cc1cc([N+](=O)[O-])ccc1N(C)CC[N@@H+](C)C1CC1 ZINC000302232051 379338958 /nfs/dbraw/zinc/33/89/58/379338958.db2.gz CKLLKILSFPJRPV-UHFFFAOYSA-N 0 1 263.341 2.434 20 5 CEBDMN CCOc1ccc([N+](=O)[O-])cc1CN(CC)CCCO ZINC000267087319 190302853 /nfs/dbraw/zinc/30/28/53/190302853.db2.gz ZUGJYGNGHKLMKR-UHFFFAOYSA-N 0 1 282.340 2.198 20 5 CEBDMN COCCN(Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CCO[C@H]1C ZINC000489393993 380184282 /nfs/dbraw/zinc/18/42/82/380184282.db2.gz CXZYDIDSBYVHRV-SWLSCSKDSA-N 0 1 294.351 2.221 20 5 CEBDMN O=[N+]([O-])c1ccc(F)cc1N1CCN2CCCC[C@H]2C1 ZINC000302794093 285119075 /nfs/dbraw/zinc/11/90/75/285119075.db2.gz IAUFYSQBDPQAHN-LBPRGKRZSA-N 0 1 279.315 2.408 20 5 CEBDMN COc1ccc(CN2CC[C@H](CO)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000288777749 197163962 /nfs/dbraw/zinc/16/39/62/197163962.db2.gz IZUJSCHQBBRMRX-AAEUAGOBSA-N 0 1 294.351 2.196 20 5 CEBDMN COC(=O)CC1(CN(C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000281498264 195264692 /nfs/dbraw/zinc/26/46/92/195264692.db2.gz RBQIMIXTFYHUBI-UHFFFAOYSA-N 0 1 292.335 2.370 20 5 CEBDMN CC1(CO)CCN(Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000282992678 195764402 /nfs/dbraw/zinc/76/44/02/195764402.db2.gz FAWPAWMGHRQIAF-UHFFFAOYSA-N 0 1 282.315 2.328 20 5 CEBDMN CN(Cc1ccco1)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356196479 394558858 /nfs/dbraw/zinc/55/88/58/394558858.db2.gz BTZDCIUCMNXVRZ-UHFFFAOYSA-N 0 1 276.248 2.166 20 5 CEBDMN CN(C(=O)CN1CCC(C)(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000072827473 394599747 /nfs/dbraw/zinc/59/97/47/394599747.db2.gz YYWFDHDKCOKZJN-UHFFFAOYSA-N 0 1 291.351 2.290 20 5 CEBDMN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)[C@@H]1CC12CC2 ZINC000422128319 394679793 /nfs/dbraw/zinc/67/97/93/394679793.db2.gz ZKFLRRSUMAHSCH-JTQLQIEISA-N 0 1 299.290 2.119 20 5 CEBDMN Cc1cc(C)c([N+](=O)[O-])c(N[C@@H]2CCc3[nH]cnc3C2)n1 ZINC000357567454 394701519 /nfs/dbraw/zinc/70/15/19/394701519.db2.gz NOQPGBBBABRXMB-SNVBAGLBSA-N 0 1 287.323 2.299 20 5 CEBDMN CN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)C1CCCC1 ZINC000272630417 394776060 /nfs/dbraw/zinc/77/60/60/394776060.db2.gz WRVIBRMOSNBVGO-UHFFFAOYSA-N 0 1 264.281 2.315 20 5 CEBDMN CC(C)C[C@H](CO)[N@@H+](C)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000339098479 394942916 /nfs/dbraw/zinc/94/29/16/394942916.db2.gz IISAGUSDTPZOAL-GFCCVEGCSA-N 0 1 282.340 2.139 20 5 CEBDMN C[C@@H]1[C@@H](C)[C@H](C)CN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000416316682 395054336 /nfs/dbraw/zinc/05/43/36/395054336.db2.gz HOFBOJHYFYHQBY-KXUCPTDWSA-N 0 1 278.308 2.417 20 5 CEBDMN C[C@H](CO)CSCc1cc(O)ccc1[N+](=O)[O-] ZINC000436475795 395119931 /nfs/dbraw/zinc/11/99/31/395119931.db2.gz QEHWDPCBWDSOKQ-MRVPVSSYSA-N 0 1 257.311 2.162 20 5 CEBDMN O=C(c1cnc[nH]1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000437113933 395176576 /nfs/dbraw/zinc/17/65/76/395176576.db2.gz CMFKSHKLILZKNX-UHFFFAOYSA-N 0 1 286.291 2.123 20 5 CEBDMN Cc1ccc([N+](=O)[O-])c(N2C[C@H](C)N(C)C[C@@H]2C)c1 ZINC000351510460 395226902 /nfs/dbraw/zinc/22/69/02/395226902.db2.gz RBEOBELVRXMEAC-RYUDHWBXSA-N 0 1 263.341 2.432 20 5 CEBDMN CCn1cncc1CN(C)CCc1ccccc1[N+](=O)[O-] ZINC000418052407 395184978 /nfs/dbraw/zinc/18/49/78/395184978.db2.gz VZPCTBABYGZUPZ-UHFFFAOYSA-N 0 1 288.351 2.486 20 5 CEBDMN Cc1cc(CN(C)CCc2ccccc2[N+](=O)[O-])n(C)n1 ZINC000418053203 395185163 /nfs/dbraw/zinc/18/51/63/395185163.db2.gz YMOOPSPZWIMAMB-UHFFFAOYSA-N 0 1 288.351 2.311 20 5 CEBDMN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCN(C)CC[C@H]1C ZINC000354011314 395313128 /nfs/dbraw/zinc/31/31/28/395313128.db2.gz ZLNMREGORSCUNP-GFCCVEGCSA-N 0 1 291.351 2.069 20 5 CEBDMN CN(CCCCCO)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000434679336 395321395 /nfs/dbraw/zinc/32/13/95/395321395.db2.gz BWADHLGQKODKBS-UHFFFAOYSA-N 0 1 292.339 2.066 20 5 CEBDMN CCc1[nH]nc(C(=O)N2CCC[C@H](C(C)C)C2)c1[N+](=O)[O-] ZINC000444386404 395431051 /nfs/dbraw/zinc/43/10/51/395431051.db2.gz WEWJTPDSLRJSTJ-JTQLQIEISA-N 0 1 294.355 2.389 20 5 CEBDMN CO[C@@H](CN1CCc2c(cccc2[N+](=O)[O-])C1)C1CC1 ZINC000566139687 395502274 /nfs/dbraw/zinc/50/22/74/395502274.db2.gz FXKRDIFNYSLNJJ-HNNXBMFYSA-N 0 1 276.336 2.378 20 5 CEBDMN C[C@H](N(C)Cc1csc([N+](=O)[O-])c1)C(C)(C)O ZINC000451356267 395609747 /nfs/dbraw/zinc/60/97/47/395609747.db2.gz AOCABHXTKNBTPB-QMMMGPOBSA-N 0 1 258.343 2.248 20 5 CEBDMN Cc1cc([N+](=O)[O-])ccc1CN1CC[C@](O)(C(F)F)C1 ZINC000449465498 395549583 /nfs/dbraw/zinc/54/95/83/395549583.db2.gz DKQLKAZKSJZGGO-CYBMUJFWSA-N 0 1 286.278 2.105 20 5 CEBDMN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CC[C@@](O)(C(F)F)C1 ZINC000451436943 395618638 /nfs/dbraw/zinc/61/86/38/395618638.db2.gz KZLPSCHHVJYEBG-ZANVPECISA-N 0 1 286.278 2.358 20 5 CEBDMN O=C(N[C@@H]1CCC[C@@H]2C[C@@H]21)c1cc(O)cc([N+](=O)[O-])c1 ZINC000458268848 395640852 /nfs/dbraw/zinc/64/08/52/395640852.db2.gz ZFWPYGWMXYLGOQ-OXHMUOHRSA-N 0 1 276.292 2.219 20 5 CEBDMN CCC(CC)(CC)CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000154441053 289145232 /nfs/dbraw/zinc/14/52/32/289145232.db2.gz BPMOZBPAKJGSLO-UHFFFAOYSA-N 0 1 268.317 2.264 20 5 CEBDMN Cc1ccc([C@@H]2CCN(C(=O)[C@H]3CC3[N+](=O)[O-])C2)c(C)c1 ZINC000373442028 292218006 /nfs/dbraw/zinc/21/80/06/292218006.db2.gz JDVQRHNJUKYSCF-VHDGCEQUSA-N 0 1 288.347 2.285 20 5 CEBDMN CC(C)c1ccc(CN[C@@H](C)C(=O)N(C)C)cc1[N+](=O)[O-] ZINC000191735100 153189548 /nfs/dbraw/zinc/18/95/48/153189548.db2.gz AYFAFWODHRTBNJ-NSHDSACASA-N 0 1 293.367 2.285 20 5 CEBDMN O=[N+]([O-])c1cc(Cl)ccc1CN1C[C@@H]2CC[C@@H](O)[C@@H]2C1 ZINC000228107034 153357864 /nfs/dbraw/zinc/35/78/64/153357864.db2.gz WNGPWWGDDZTOTD-MRCXROJRSA-N 0 1 296.754 2.451 20 5 CEBDMN Cc1cccc([C@]2(F)CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)c1 ZINC000367715469 156229099 /nfs/dbraw/zinc/22/90/99/156229099.db2.gz JZFCHOBPLHNGNR-NFAWXSAZSA-N 0 1 292.310 2.057 20 5 CEBDMN Cc1nccc(-c2ccc(NC(=O)[C@@H]3C[C@@H]3[N+](=O)[O-])cc2)n1 ZINC000368751502 156397558 /nfs/dbraw/zinc/39/75/58/156397558.db2.gz BXYDGSUGRDJBNT-OCCSQVGLSA-N 0 1 298.302 2.056 20 5 CEBDMN Cn1cnc([N+](=O)[O-])c1CN1CCC2(CCCC2)C1 ZINC000370044587 156536054 /nfs/dbraw/zinc/53/60/54/156536054.db2.gz FHHQWNPRYRTDRL-UHFFFAOYSA-N 0 1 264.329 2.094 20 5 CEBDMN Cn1c(Cl)cnc1CNCCc1ccc([N+](=O)[O-])cc1 ZINC000040676129 174373640 /nfs/dbraw/zinc/37/36/40/174373640.db2.gz KTQFSKXSHVDCQG-UHFFFAOYSA-N 0 1 294.742 2.314 20 5 CEBDMN CN(C(=O)CN1CCCC1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000077382411 177261237 /nfs/dbraw/zinc/26/12/37/177261237.db2.gz HJLVKBNAXXRJRB-UHFFFAOYSA-N 0 1 291.351 2.432 20 5 CEBDMN C[C@H](NCc1ccnc(N)c1)c1cccc([N+](=O)[O-])c1 ZINC000193488850 270285734 /nfs/dbraw/zinc/28/57/34/270285734.db2.gz CVXTULUWKUFCDC-JTQLQIEISA-N 0 1 272.308 2.423 20 5 CEBDMN Cc1nc([C@@H](C)N[C@@H](C)c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000392369966 270340403 /nfs/dbraw/zinc/34/04/03/270340403.db2.gz KMLODGDDOKIBSU-DTWKUNHWSA-N 0 1 275.312 2.433 20 5 CEBDMN COc1ccc(CN2C[C@H](C)C[C@@H](CO)C2)cc1[N+](=O)[O-] ZINC000398697961 270361552 /nfs/dbraw/zinc/36/15/52/270361552.db2.gz RXEJVRZBTSLHRN-DGCLKSJQSA-N 0 1 294.351 2.054 20 5 CEBDMN O=[N+]([O-])c1cccc(Cl)c1N1CC[C@H](c2nc[nH]n2)C1 ZINC000425275488 271150815 /nfs/dbraw/zinc/15/08/15/271150815.db2.gz ABFABBVMMMZVSQ-QMMMGPOBSA-N 0 1 293.714 2.360 20 5 CEBDMN CN1CCCN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])CC1 ZINC000155970284 277050713 /nfs/dbraw/zinc/05/07/13/277050713.db2.gz PACAYEBQRBMPDN-UHFFFAOYSA-N 0 1 297.742 2.026 20 5 CEBDMN COC(=O)[C@@H]1CCN([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000266504173 277092081 /nfs/dbraw/zinc/09/20/81/277092081.db2.gz BGEIIVVTIJYKBB-WDEREUQCSA-N 0 1 278.308 2.151 20 5 CEBDMN CC1(C)CCC(NC(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC000119243159 278200318 /nfs/dbraw/zinc/20/03/18/278200318.db2.gz FLYWHFYCAGFFSC-UHFFFAOYSA-N 0 1 266.301 2.017 20 5 CEBDMN C[C@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)C(=O)N1CCCC1 ZINC000135678151 278268387 /nfs/dbraw/zinc/26/83/87/278268387.db2.gz JJUMJNBSGFGRLW-RYUDHWBXSA-N 0 1 291.351 2.256 20 5 CEBDMN CC(C)[C@@H]1CN(Cc2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000487995590 290372801 /nfs/dbraw/zinc/37/28/01/290372801.db2.gz AYIYGOKFUSSVMT-HNNXBMFYSA-N 0 1 277.368 2.367 20 5 CEBDMN C[C@@H](NCCOc1ccc([N+](=O)[O-])cc1)c1nccn1C ZINC000538160238 298224631 /nfs/dbraw/zinc/22/46/31/298224631.db2.gz UTQFOLVNHQQULV-LLVKDONJSA-N 0 1 290.323 2.058 20 5 CEBDMN O=[N+]([O-])c1cnc(NCCN2CCCCC2)c(F)c1 ZINC000573573452 314170197 /nfs/dbraw/zinc/17/01/97/314170197.db2.gz BXYUJPZQAFJUHQ-UHFFFAOYSA-N 0 1 268.292 2.027 20 5 CEBDMN Cn1cc(CN[C@@H]2CCc3c2cccc3[N+](=O)[O-])cn1 ZINC000574170505 314194027 /nfs/dbraw/zinc/19/40/27/314194027.db2.gz GJLREIPEPRHXOA-CYBMUJFWSA-N 0 1 272.308 2.105 20 5 CEBDMN CCOC[C@H](C)NCc1ccc([N+](=O)[O-])cc1F ZINC000386406128 321870793 /nfs/dbraw/zinc/87/07/93/321870793.db2.gz XGPVBMJZAKBXCI-VIFPVBQESA-N 0 1 256.277 2.249 20 5 CEBDMN Cc1nc([C@@H](C)N(C)Cc2ccccc2[N+](=O)[O-])n[nH]1 ZINC000411135275 534536670 /nfs/dbraw/zinc/53/66/70/534536670.db2.gz QDUPXPSFAWKDEV-SECBINFHSA-N 0 1 275.312 2.214 20 5 CEBDMN CC[C@H](C)N(C)CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000068449916 523915768 /nfs/dbraw/zinc/91/57/68/523915768.db2.gz OQZSOLKLGPLVDO-JTQLQIEISA-N 0 1 295.339 2.272 20 5 CEBDMN O=C(NCCC1CC1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000174684117 534830671 /nfs/dbraw/zinc/83/06/71/534830671.db2.gz YNBAFSBTWPWJAB-UHFFFAOYSA-N 0 1 274.280 2.001 20 5 CEBDMN CN(C[C@@H]1CC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1)C(=O)[O-] ZINC000739665901 574502424 /nfs/dbraw/zinc/50/24/24/574502424.db2.gz NQJDNNAFTRKYCK-NSHDSACASA-N 0 1 293.323 2.027 20 5 CEBDMN O=C(Oc1cccc(-n2cccn2)c1)c1ccc([N+](=O)[O-])[nH]1 ZINC000739209270 574899729 /nfs/dbraw/zinc/89/97/29/574899729.db2.gz SCAODPMTTXJUQS-UHFFFAOYSA-N 0 1 298.258 2.328 20 5 CEBDMN CC1(C)[C@@H]2OCCC[C@H]2[C@@H]1OC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000744183040 575116230 /nfs/dbraw/zinc/11/62/30/575116230.db2.gz JBFYQJHKLIGSOI-FXAINCCUSA-N 0 1 294.307 2.283 20 5 CEBDMN Cc1c(C[N@H+]2C[C@H](C(=O)[O-])[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000223799979 601540410 /nfs/dbraw/zinc/54/04/10/601540410.db2.gz AQNUILKSAMVDEC-SKDRFNHKSA-N 0 1 278.308 2.056 20 5 CEBDMN C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](N(C)C(=O)[O-])C1 ZINC000825637778 603794207 /nfs/dbraw/zinc/79/42/07/603794207.db2.gz HDQAMIPHZRDFEI-GHMZBOCLSA-N 0 1 293.323 2.340 20 5 CEBDMN C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CCN(C(=O)[O-])CC1 ZINC000828383085 603991617 /nfs/dbraw/zinc/99/16/17/603991617.db2.gz RHIFABNWFIMYER-UHFFFAOYSA-N 0 1 293.323 2.169 20 5 CEBDMN CN(C[C@H]1CCC[N@H+]1Cc1cccc([N+](=O)[O-])c1)C(=O)[O-] ZINC000828231078 604096358 /nfs/dbraw/zinc/09/63/58/604096358.db2.gz XRWRDXNQXOMQRZ-CYBMUJFWSA-N 0 1 293.323 2.169 20 5 CEBDMN CC(C)c1ccc(C[N@@H+](C)CC(=O)[O-])cc1[N+](=O)[O-] ZINC000820057434 604539212 /nfs/dbraw/zinc/53/92/12/604539212.db2.gz BNLOLYPNGRDZSF-UHFFFAOYSA-N 0 1 266.297 2.235 20 5 CEBDMN C[C@@H]1C[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C[C@@H]1C(=O)[O-] ZINC000833618289 604664706 /nfs/dbraw/zinc/66/47/06/604664706.db2.gz ABRSJAUEIBSJBU-YJLKIPLNSA-N 0 1 290.319 2.261 20 5 CEBDMN C[C@@H]1C[C@H](C(=O)[O-])CC[N@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000235363201 625342836 /nfs/dbraw/zinc/34/28/36/625342836.db2.gz ZEEYNAORZJKIDV-PSASIEDQSA-N 0 1 284.337 2.341 20 5 CEBDMN CC(C)(C)NCc1cn(-c2ccc([N+](=O)[O-])cc2)nn1 ZINC000090299877 622640000 /nfs/dbraw/zinc/64/00/00/622640000.db2.gz FCGILZDHZZGSNO-UHFFFAOYSA-N 0 1 275.312 2.064 20 5 CEBDMN CCO[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000932976889 623434800 /nfs/dbraw/zinc/43/48/00/623434800.db2.gz HJBYEJUHWJKKOH-ZDUSSCGKSA-N 0 1 250.298 2.206 20 5 CEBDMN C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+](C)[C@H](C)C(=O)[O-] ZINC000901979599 634403320 /nfs/dbraw/zinc/40/33/20/634403320.db2.gz CSUKFWFMCGPVLY-ZJRUKIMVSA-N 0 1 278.308 2.403 20 5 CEBDMN Nc1ccnc2c1CN(Cc1cccc([N+](=O)[O-])c1)CC2 ZINC000931512727 628651267 /nfs/dbraw/zinc/65/12/67/628651267.db2.gz SNMRIDYQFXHQGV-UHFFFAOYSA-N 0 1 284.319 2.130 20 5 CEBDMN COc1c(O)ccc(CN[C@@H]2CSC2(C)C)c1[N+](=O)[O-] ZINC000894282137 629302129 /nfs/dbraw/zinc/30/21/29/629302129.db2.gz YNJWKWOARSCENT-SNVBAGLBSA-N 0 1 298.364 2.293 20 5 CEBDMN O=C(OCc1ccc(Cl)cc1)[C@@H]1CC1[N+](=O)[O-] ZINC000840672689 629338997 /nfs/dbraw/zinc/33/89/97/629338997.db2.gz OJBIJMALBQHDCB-NXEZZACHSA-N 0 1 255.657 2.048 20 5 CEBDMN O=C(OCc1ccc(Cl)s1)[C@@H]1CC1[N+](=O)[O-] ZINC000840672832 629346386 /nfs/dbraw/zinc/34/63/86/629346386.db2.gz RRBFGIMIVJWCNE-RNFRBKRXSA-N 0 1 261.686 2.110 20 5 CEBDMN CC1(C)CCc2c(OC(=O)[C@@H]3CC3[N+](=O)[O-])cccc2O1 ZINC000841219804 629664745 /nfs/dbraw/zinc/66/47/45/629664745.db2.gz PYVDAPZCFYAYGR-GHMZBOCLSA-N 0 1 291.303 2.361 20 5 CEBDMN O=[N+]([O-])c1ccc(O)cc1CN1CC[C@@H]1C(F)F ZINC000895431044 630181232 /nfs/dbraw/zinc/18/12/32/630181232.db2.gz JXJTTZFTWNICJV-SNVBAGLBSA-N 0 1 258.224 2.140 20 5 CEBDMN O=[N+]([O-])c1ccccc1/C=C\CN1CCc2ncncc2C1 ZINC000895723288 630315855 /nfs/dbraw/zinc/31/58/55/630315855.db2.gz UPQUUMBYDDYCSJ-HYXAFXHYSA-N 0 1 296.330 2.456 20 5 CEBDMN O=C(O[C@H]1CCCC12CCOCC2)c1ccc([N+](=O)[O-])[nH]1 ZINC000800426850 631122229 /nfs/dbraw/zinc/12/22/29/631122229.db2.gz ZWWKLMIFOPXNTQ-NSHDSACASA-N 0 1 294.307 2.429 20 5 CEBDMN C[C@H](CC1CCOCC1)OC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000803017596 631503663 /nfs/dbraw/zinc/50/36/63/631503663.db2.gz ISIDIORWKHRUKI-SECBINFHSA-N 0 1 282.296 2.285 20 5 CEBDMN O=[N+]([O-])c1cnn(CN2CCCCCCCC2)c1 ZINC000840133092 631943739 /nfs/dbraw/zinc/94/37/39/631943739.db2.gz HWWHUOLSAZZYOS-UHFFFAOYSA-N 0 1 252.318 2.405 20 5 CEBDMN CC(C)c1ccc(CN[C@@]2(C)CCNC2=O)cc1[N+](=O)[O-] ZINC000897874156 631955348 /nfs/dbraw/zinc/95/53/48/631955348.db2.gz TVSXIHALUGNHLU-HNNXBMFYSA-N 0 1 291.351 2.086 20 5 CEBDMN Cc1nonc1CN[C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000809744664 632138222 /nfs/dbraw/zinc/13/82/22/632138222.db2.gz XBGTXICASJPUNN-JTQLQIEISA-N 0 1 290.323 2.397 20 5 CEBDMN CC(C)N(Cc1ccccc1F)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840296149 632733143 /nfs/dbraw/zinc/73/31/43/632733143.db2.gz ZBYVEXZYFMAGAH-DGCLKSJQSA-N 0 1 280.299 2.228 20 5 CEBDMN Cc1ccc(C=Cc2n[nH]c(SCC[N+](=O)[O-])n2)o1 ZINC000899866614 633062385 /nfs/dbraw/zinc/06/23/85/633062385.db2.gz PKBAJHZCQDIPEU-PLNGDYQASA-N 0 1 280.309 2.245 20 5 CEBDMN CC[C@H]1CN(C)CCN1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000823194509 635093810 /nfs/dbraw/zinc/09/38/10/635093810.db2.gz GLEQBVKMECVZLH-LBPRGKRZSA-N 0 1 281.331 2.260 20 5 CEBDMN C[C@@H]1CCc2c(F)cccc2[C@H]1NCC[N+](=O)[O-] ZINC000905156236 635832196 /nfs/dbraw/zinc/83/21/96/635832196.db2.gz XZNCJBXUOGMLDC-RNCFNFMXSA-N 0 1 252.289 2.315 20 5 CEBDMN O=[N+]([O-])CCN[C@@H]1C[C@H]1c1ccc(Cl)c(F)c1 ZINC000905242205 636193817 /nfs/dbraw/zinc/19/38/17/636193817.db2.gz AYNKEGQPRWYPKD-GZMMTYOYSA-N 0 1 258.680 2.201 20 5 CEBDMN C[C@H](C[S@@](C)=O)NCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000168187960 639563390 /nfs/dbraw/zinc/56/33/90/639563390.db2.gz JZCPNDDPRDGVMO-CVJBHZAOSA-N 0 1 290.772 2.105 20 5 CEBDMN CC(C)(C)c1ccc(COC(=O)[C@@H]2CC2[N+](=O)[O-])cn1 ZINC000841213311 639709555 /nfs/dbraw/zinc/70/95/55/639709555.db2.gz MWHZMAZUKLXURW-GHMZBOCLSA-N 0 1 278.308 2.088 20 5 CEBDMN CC[C@H](COC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccccc1 ZINC000842302100 640003757 /nfs/dbraw/zinc/00/37/57/640003757.db2.gz FDMTWZCOZDFRGA-RAIGVLPGSA-N 0 1 263.293 2.389 20 5 CEBDMN CCO[C@H]1C[C@@H](OC(=O)[C@@H]2CC2[N+](=O)[O-])C1(CC)CC ZINC000842316937 640011533 /nfs/dbraw/zinc/01/15/33/640011533.db2.gz BDKDIZYBQHFVEZ-WISYIIOYSA-N 0 1 285.340 2.179 20 5 CEBDMN CC(C)(C)[C@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])C(F)(F)F ZINC000842324851 640015955 /nfs/dbraw/zinc/01/59/55/640015955.db2.gz HQRDZUVHWJLAEO-JKMUOGBPSA-N 0 1 269.219 2.172 20 5 CEBDMN O=C(O[C@H]1CCCc2ccc(F)cc21)[C@@H]1CC1[N+](=O)[O-] ZINC000842348057 640024730 /nfs/dbraw/zinc/02/47/30/640024730.db2.gz HGTXMLYWZFCVTJ-UPJWGTAASA-N 0 1 279.267 2.412 20 5 CEBDMN Cc1nn(CN(C)[C@@H](C)C(C)C)c(C)c1[N+](=O)[O-] ZINC000915209180 640529514 /nfs/dbraw/zinc/52/95/14/640529514.db2.gz KKQQEFQXAJPLSZ-JTQLQIEISA-N 0 1 254.334 2.342 20 5 CEBDMN O=[N+]([O-])c1ccc(Cl)c(CN[C@@H](CO)CCF)c1 ZINC000846096315 641179578 /nfs/dbraw/zinc/17/95/78/641179578.db2.gz GIHBSPOAQJYLBN-SECBINFHSA-N 0 1 276.695 2.058 20 5 CEBDMN COc1cccc(COC(=O)[C@@H]2CC2[N+](=O)[O-])c1Cl ZINC000849807708 642473699 /nfs/dbraw/zinc/47/36/99/642473699.db2.gz UGZMDTICPOLZKB-RKDXNWHRSA-N 0 1 285.683 2.057 20 5 CEBDMN CN(C)c1ccnc(CNCc2ccccc2[N+](=O)[O-])c1 ZINC000922481737 643082848 /nfs/dbraw/zinc/08/28/48/643082848.db2.gz WHISFCBUIXPJKF-UHFFFAOYSA-N 0 1 286.335 2.346 20 5 CEBDMN C[C@@H]1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000852586948 643483857 /nfs/dbraw/zinc/48/38/57/643483857.db2.gz PICBKNHHOSNJGW-XUJVJEKNSA-N 0 1 294.351 2.128 20 5 CEBDMN CCC(CC)CCCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000856171492 644594341 /nfs/dbraw/zinc/59/43/41/644594341.db2.gz YNYOEZXSQSQVJE-VXGBXAGGSA-N 0 1 256.346 2.326 20 5 CEBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@H](C2CCCCC2)C1 ZINC000856303036 644633159 /nfs/dbraw/zinc/63/31/59/644633159.db2.gz ARSLTHHZKLNOAS-BFHYXJOUSA-N 0 1 280.368 2.471 20 5 CEBDMN CC[C@H](C)Oc1ccc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 ZINC000839572538 644746381 /nfs/dbraw/zinc/74/63/81/644746381.db2.gz GOXWGPGCAYTDAO-ZWKOPEQDSA-N 0 1 278.308 2.468 20 5 CEBDMN C[C@H]1C[C@@H](c2cccc(F)c2)N(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839689893 644774375 /nfs/dbraw/zinc/77/43/75/644774375.db2.gz AFVBKFCJRBGGPP-GSVCSZOMSA-N 0 1 292.310 2.400 20 5 CEBDMN CC(C)[C@H](Cc1ccc(F)cc1)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839695875 644776153 /nfs/dbraw/zinc/77/61/53/644776153.db2.gz GTYWXLNNVZJLKE-HZSPNIEDSA-N 0 1 294.326 2.174 20 5 CEBDMN C[C@H]1[C@H](c2ccccc2)CCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839699188 644777335 /nfs/dbraw/zinc/77/73/35/644777335.db2.gz JYAWRGOBDMVRQL-IGHBBLSQSA-N 0 1 274.320 2.056 20 5 CEBDMN C[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1cc2ccccc2o1 ZINC000839733987 644785665 /nfs/dbraw/zinc/78/56/65/644785665.db2.gz NXPLIZATJHVQCZ-JMJZKYOTSA-N 0 1 274.276 2.275 20 5 CEBDMN C[C@@H]1CCc2ccccc2[C@@H]1NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839715268 644790190 /nfs/dbraw/zinc/79/01/90/644790190.db2.gz CLTPSRCMIYYCPM-ICGCDAGXSA-N 0 1 274.320 2.091 20 5 CEBDMN C[C@H]1CCCc2ccccc2[C@@H]1NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839726750 644793515 /nfs/dbraw/zinc/79/35/15/644793515.db2.gz WQCKUEXNJAPIIG-CJYSPXJISA-N 0 1 288.347 2.482 20 5 CEBDMN C[C@@H]1C[C@@H](c2ccccc2)N(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839764698 644797533 /nfs/dbraw/zinc/79/75/33/644797533.db2.gz GHINUEMMDUFZCZ-RUZUBIRVSA-N 0 1 274.320 2.261 20 5 CEBDMN Cc1ccc([C@H]2C[C@H](C)N(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)cc1 ZINC000839748293 644804276 /nfs/dbraw/zinc/80/42/76/644804276.db2.gz ZBPQHFMOTCAVRP-SPWCGHHHSA-N 0 1 288.347 2.365 20 5 CEBDMN O=[N+]([O-])c1cccc([C@H](O)CN2CC[C@@H](C(F)F)C2)c1 ZINC000761112976 645243509 /nfs/dbraw/zinc/24/35/09/645243509.db2.gz LUDHVVRRPVPBCJ-ZYHUDNBSSA-N 0 1 286.278 2.215 20 5 CEBDMN Cc1nn(CN2CCCC2)c2ccc([N+](=O)[O-])cc12 ZINC000764847488 645698536 /nfs/dbraw/zinc/69/85/36/645698536.db2.gz SBEREFGGBHBDIS-UHFFFAOYSA-N 0 1 260.297 2.306 20 5 CEBDMN CCO[C@@H](C(=O)OCc1cc(O)ccc1[N+](=O)[O-])C(C)C ZINC000860367432 645773483 /nfs/dbraw/zinc/77/34/83/645773483.db2.gz PYHHXCWXLGKBIB-CYBMUJFWSA-N 0 1 297.307 2.405 20 5 CEBDMN O=[N+]([O-])c1c(N[C@H]2CCCc3cn[nH]c32)nc2ccccn21 ZINC000765608843 645791794 /nfs/dbraw/zinc/79/17/94/645791794.db2.gz MHAWJNXEJLYZIQ-JTQLQIEISA-N 0 1 298.306 2.455 20 5 CEBDMN C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])NCc1cc[nH]n1 ZINC000866264330 647703708 /nfs/dbraw/zinc/70/37/08/647703708.db2.gz YHPKLQJWZSKUHQ-SECBINFHSA-N 0 1 278.287 2.178 20 5 CEBDMN C[C@@H]1C[C@H](c2ccc(F)cc2)CN1CC[N+](=O)[O-] ZINC000791052943 648476408 /nfs/dbraw/zinc/47/64/08/648476408.db2.gz PTLYRWMCGBEUGN-PWSUYJOCSA-N 0 1 252.289 2.280 20 5 CEBDMN O=C(OCc1csc(Cl)n1)c1ccc([N+](=O)[O-])[nH]1 ZINC000793235071 648727779 /nfs/dbraw/zinc/72/77/79/648727779.db2.gz BHMYNJZYKKVNQN-UHFFFAOYSA-N 0 1 287.684 2.390 20 5 CEBDMN C[C@H](NCC1(O)CCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872034377 649248284 /nfs/dbraw/zinc/24/82/84/649248284.db2.gz HSKZEWIMDPTXKU-VIFPVBQESA-N 0 1 268.288 2.300 20 5 CEBDMN CCN1CC[C@H]1CNc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000882959704 652290159 /nfs/dbraw/zinc/29/01/59/652290159.db2.gz NXSKCWBOUHRZID-JTQLQIEISA-N 0 1 295.339 2.118 20 5 CEBDMN CC(=O)[C@H](C)Oc1nc(C(F)(F)F)cc(O)c1[N+](=O)[O-] ZINC001228859677 806353179 /nfs/dbraw/zinc/35/31/79/806353179.db2.gz NGPHTAWGRYOTST-YFKPBYRVSA-N 0 1 294.185 2.071 20 5 CEBDMN C[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])[C@H]1C(=O)[O-] ZINC000300293831 802836102 /nfs/dbraw/zinc/83/61/02/802836102.db2.gz HLKHQKXVOKHCSP-NOZJJQNGSA-N 0 1 296.298 2.419 20 5 CEBDMN CO[C@@H]1CCOC[C@H]1N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000724880325 803330515 /nfs/dbraw/zinc/33/05/15/803330515.db2.gz PCBRATBVKWISQX-LERXQTSPSA-N 0 1 280.324 2.049 20 5 CEBDMN CC(=O)NCC1(NCc2csc([N+](=O)[O-])c2)CCCC1 ZINC001268031333 804130620 /nfs/dbraw/zinc/13/06/20/804130620.db2.gz XJTZOJYBYRKLKH-UHFFFAOYSA-N 0 1 297.380 2.195 20 5 CEBDMN CCc1[nH]nc(C(=O)N2CC[C@H]2C(C)(C)C)c1[N+](=O)[O-] ZINC001120850091 815286300 /nfs/dbraw/zinc/28/63/00/815286300.db2.gz OWKKLKDDLDXHDO-VIFPVBQESA-N 0 1 280.328 2.141 20 5 CEBDMN COC1(OC)CC[C@@H]1NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000711424111 810069784 /nfs/dbraw/zinc/06/97/84/810069784.db2.gz HJRHCHYCVHRYKI-ZDUSSCGKSA-N 0 1 280.324 2.144 20 5 CEBDMN CN(Cc1cc(F)ccc1[N+](=O)[O-])C[C@H]1CCC[C@@H]1O ZINC000689351306 812327532 /nfs/dbraw/zinc/32/75/32/812327532.db2.gz WEVFPRSDWQALNU-YGRLFVJLSA-N 0 1 282.315 2.327 20 5 CEBDMN COCC1CN([C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC001170329796 812388461 /nfs/dbraw/zinc/38/84/61/812388461.db2.gz UTKIFXFNTFIJCQ-LLVKDONJSA-N 0 1 294.351 2.113 20 5 CEBDMN COC[C@H]1CCN1[C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170355377 812392276 /nfs/dbraw/zinc/39/22/76/812392276.db2.gz BXERBOBEHWDKCM-DGCLKSJQSA-N 0 1 294.351 2.255 20 5 CEBDMN O=[N+]([O-])c1ccc([C@H](O)CNCc2ccco2)cc1 ZINC000106102005 813121107 /nfs/dbraw/zinc/12/11/07/813121107.db2.gz LAOSNDQCLLFUOX-CYBMUJFWSA-N 0 1 262.265 2.011 20 5 CEBDMN CC[C@](N)(CO)Nc1ncnc2cc3ccccc3cc21 ZINC001170859529 813545480 /nfs/dbraw/zinc/54/54/80/813545480.db2.gz SEFBAUDDFXCOGU-MRXNPFEDSA-N 0 1 282.347 2.252 20 5 CEBDMN Cc1cc([N+](=O)[O-])cnc1N1CCN(C(C)(C)C)CC1 ZINC001116009072 814764060 /nfs/dbraw/zinc/76/40/60/814764060.db2.gz NOPVOVBDXMRATM-UHFFFAOYSA-N 0 1 278.356 2.219 20 5 CEBDMN CC[N@@H+](Cc1ccc(C)c([N+](=O)[O-])c1)[C@H](C)C(=O)[O-] ZINC000714018918 814882126 /nfs/dbraw/zinc/88/21/26/814882126.db2.gz LFISMGJFOYANFW-SNVBAGLBSA-N 0 1 266.297 2.198 20 5 CEBDMN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CCN(CCF)CC1 ZINC001173233295 815632739 /nfs/dbraw/zinc/63/27/39/815632739.db2.gz KMPOMZXVMKWSBJ-CYBMUJFWSA-N 0 1 295.358 2.113 20 5 CEBDMN C[C@@H](NC(=O)CCc1cnc[nH]1)c1ccc([N+](=O)[O-])cc1 ZINC001177587334 816586941 /nfs/dbraw/zinc/58/69/41/816586941.db2.gz BLDMKSHABDLAIO-SNVBAGLBSA-N 0 1 288.307 2.128 20 5 CEBDMN CC[C@@H](C)[N@@H+](CC(=O)[O-])Cc1ccc([N+](=O)[O-])cc1 ZINC000037654590 361920207 /nfs/dbraw/zinc/92/02/07/361920207.db2.gz FYEFBGPIGLXSAT-SNVBAGLBSA-N 0 1 266.297 2.280 20 5 CEBDMN CCN(Cc1cc([N+](=O)[O-])cc2c1OCOC2)C1CC1 ZINC000045770829 362166848 /nfs/dbraw/zinc/16/68/48/362166848.db2.gz DTCZOTYEMAGRKD-UHFFFAOYSA-N 0 1 278.308 2.446 20 5 CEBDMN C[C@H]1CCCCN1CCNC(=O)c1ccc([N+](=O)[O-])s1 ZINC000060524309 343659505 /nfs/dbraw/zinc/65/95/05/343659505.db2.gz IABIGJYXBSTIRD-JTQLQIEISA-N 0 1 297.380 2.261 20 5 CEBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@H](c2ccccc2)CC1 ZINC000066763365 343721424 /nfs/dbraw/zinc/72/14/24/343721424.db2.gz XOGFFMVQGVOBPK-ZNMIVQPWSA-N 0 1 288.347 2.448 20 5 CEBDMN Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H](C(=O)[O-])C1 ZINC000602066330 346968141 /nfs/dbraw/zinc/96/81/41/346968141.db2.gz MMPRVQZPENDPTR-LBPRGKRZSA-N 0 1 278.308 2.200 20 5 CEBDMN CC1(C)C[C@H](O)CC[N@@H+](Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000449616265 282305267 /nfs/dbraw/zinc/30/52/67/282305267.db2.gz CLUKBXXSGQPIPE-CYBMUJFWSA-N 0 1 294.351 2.283 20 5 CEBDMN C[C@@H](O)[C@@H]1CCCC[N@H+]1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000092971217 344208925 /nfs/dbraw/zinc/20/89/25/344208925.db2.gz XNKLHRDFQMYZOM-MFKMUULPSA-N 0 1 280.324 2.036 20 5 CEBDMN CCN(Cc1cnn(C)c1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000092437579 344188538 /nfs/dbraw/zinc/18/85/38/344188538.db2.gz AYDBEVRDECBFQK-UHFFFAOYSA-N 0 1 290.323 2.056 20 5 CEBDMN COCCCn1ccc(Nc2nc(C)ccc2[N+](=O)[O-])n1 ZINC000127212102 187289704 /nfs/dbraw/zinc/28/97/04/187289704.db2.gz QCQYXCZWRHCDBM-UHFFFAOYSA-N 0 1 291.311 2.275 20 5 CEBDMN CC[C@]1(C)CCCN(Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602473104 347048055 /nfs/dbraw/zinc/04/80/55/347048055.db2.gz JUJVMCWGYBZQAA-CYBMUJFWSA-N 0 1 266.345 2.340 20 5 CEBDMN Cc1[nH]ncc1CNC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000235429135 344591087 /nfs/dbraw/zinc/59/10/87/344591087.db2.gz NIVMXJBKWIGUOP-VIFPVBQESA-N 0 1 288.307 2.046 20 5 CEBDMN COc1ccc(CN2CCC[C@H](CCO)C2)cc1[N+](=O)[O-] ZINC000051916652 362447933 /nfs/dbraw/zinc/44/79/33/362447933.db2.gz VPSFZIKBTPDJJL-GFCCVEGCSA-N 0 1 294.351 2.198 20 5 CEBDMN CN(Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)CC1CC1 ZINC000052128040 362467192 /nfs/dbraw/zinc/46/71/92/362467192.db2.gz VRFOFCRLYVFUSM-UHFFFAOYSA-N 0 1 288.307 2.487 20 5 CEBDMN O=[N+]([O-])c1ccc(CN2CCC[C@H](CO)CC2)c(F)c1 ZINC000293317180 344692083 /nfs/dbraw/zinc/69/20/83/344692083.db2.gz XKCWRYFZCGMBPP-NSHDSACASA-N 0 1 282.315 2.328 20 5 CEBDMN O=[N+]([O-])c1ccc2oc(CNC[C@@H]3CCCCO3)nc2c1 ZINC000602522413 347065968 /nfs/dbraw/zinc/06/59/68/347065968.db2.gz UECWNXXLCVBCFC-NSHDSACASA-N 0 1 291.307 2.395 20 5 CEBDMN O=[N+]([O-])c1ccc(CN2CC[C@H](CCCO)C2)c(F)c1 ZINC000449791715 282369680 /nfs/dbraw/zinc/36/96/80/282369680.db2.gz PZHWRTRKRHXLBW-NSHDSACASA-N 0 1 282.315 2.328 20 5 CEBDMN O=[N+]([O-])c1ccc(CC[NH2+]Cc2ncccc2[O-])cc1 ZINC000589168842 345068679 /nfs/dbraw/zinc/06/86/79/345068679.db2.gz IGDGPGUOXQBSFW-UHFFFAOYSA-N 0 1 273.292 2.028 20 5 CEBDMN COc1cc(CNCc2cccc([N+](=O)[O-])c2)ccn1 ZINC000057395215 362580408 /nfs/dbraw/zinc/58/04/08/362580408.db2.gz WJJCOADXBAZCDM-UHFFFAOYSA-N 0 1 273.292 2.288 20 5 CEBDMN C[C@@H](N[C@H](C)c1cccc([N+](=O)[O-])c1)C(=O)N1CCCC1 ZINC000056197203 362557373 /nfs/dbraw/zinc/55/73/73/362557373.db2.gz VDPBKCSTQLPPNL-VXGBXAGGSA-N 0 1 291.351 2.256 20 5 CEBDMN C[C@H](CCO)SCc1cc(O)ccc1[N+](=O)[O-] ZINC000591128507 345223182 /nfs/dbraw/zinc/22/31/82/345223182.db2.gz CAHKHSYQULWEGO-MRVPVSSYSA-N 0 1 257.311 2.305 20 5 CEBDMN C[C@@H](NCc1cc(O)ccc1[N+](=O)[O-])c1csnn1 ZINC000593034615 345426436 /nfs/dbraw/zinc/42/64/36/345426436.db2.gz NNJGBCMJVMZPLS-SSDOTTSWSA-N 0 1 280.309 2.003 20 5 CEBDMN Cc1noc(CSCc2cc(O)ccc2[N+](=O)[O-])n1 ZINC000593187922 345451339 /nfs/dbraw/zinc/45/13/39/345451339.db2.gz RYFDRIIUJHXZRA-UHFFFAOYSA-N 0 1 281.293 2.425 20 5 CEBDMN O=C([O-])CC[N@H+](Cc1ccccc1[N+](=O)[O-])CC1CC1 ZINC000593744884 345531395 /nfs/dbraw/zinc/53/13/95/345531395.db2.gz UIFNDUFDHDQXTH-UHFFFAOYSA-N 0 1 278.308 2.282 20 5 CEBDMN COc1cc(C[N@@H+](CCC(=O)[O-])C(C)C)ccc1[N+](=O)[O-] ZINC000593747166 345532041 /nfs/dbraw/zinc/53/20/41/345532041.db2.gz USEWECKZUWGKHI-UHFFFAOYSA-N 0 1 296.323 2.289 20 5 CEBDMN CC(C)N(Cc1ccc(F)cc1[N+](=O)[O-])C[C@H](C)O ZINC000595311913 345759936 /nfs/dbraw/zinc/75/99/36/345759936.db2.gz JLPAXOUYFPPBTP-JTQLQIEISA-N 0 1 270.304 2.325 20 5 CEBDMN CC[C@@H]1C[C@@H](NCc2cc([N+](=O)[O-])ccc2OC)CO1 ZINC000594920958 345702602 /nfs/dbraw/zinc/70/26/02/345702602.db2.gz NHOHMCDOKAQAHL-DGCLKSJQSA-N 0 1 280.324 2.261 20 5 CEBDMN COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@H]1C[C@@](C)(O)C1 ZINC000595046477 345734318 /nfs/dbraw/zinc/73/43/18/345734318.db2.gz ZYGKULODMDVESP-PKFCDNJMSA-N 0 1 280.324 2.167 20 5 CEBDMN O=[N+]([O-])c1cc(F)ccc1CN1CC[C@]2(CCOC2)C1 ZINC000595337930 345764398 /nfs/dbraw/zinc/76/43/98/345764398.db2.gz DJPSJTKZHULLGU-AWEZNQCLSA-N 0 1 280.299 2.346 20 5 CEBDMN CCN1CCN(Cc2ccc(F)cc2[N+](=O)[O-])C[C@@H]1C ZINC000595389164 345772523 /nfs/dbraw/zinc/77/25/23/345772523.db2.gz LZIWRZUECZSZAX-NSHDSACASA-N 0 1 281.331 2.260 20 5 CEBDMN O=[N+]([O-])c1cc(F)ccc1CN1CCc2cn[nH]c2C1 ZINC000595395881 345773603 /nfs/dbraw/zinc/77/36/03/345773603.db2.gz QLAZHHKYCIVBQN-UHFFFAOYSA-N 0 1 276.271 2.015 20 5 CEBDMN Cc1noc(CN[C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)c1[N+](=O)[O-] ZINC000595510890 345800213 /nfs/dbraw/zinc/80/02/13/345800213.db2.gz DPUSTUUUINIDPA-WQAKAFBOSA-N 0 1 295.339 2.184 20 5 CEBDMN COc1cc(C[N@@H+]2C[C@@H](C)[C@H](O)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000595743507 345864149 /nfs/dbraw/zinc/86/41/49/345864149.db2.gz NCOSGCVARLOHAW-HBYGRHMLSA-N 0 1 294.351 2.052 20 5 CEBDMN COc1cc(CN2C[C@@H](C)[C@H](O)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000595743507 345864152 /nfs/dbraw/zinc/86/41/52/345864152.db2.gz NCOSGCVARLOHAW-HBYGRHMLSA-N 0 1 294.351 2.052 20 5 CEBDMN Cc1cc(N[C@H](C)CC(N)=O)c2cc([N+](=O)[O-])ccc2n1 ZINC000167383027 232265505 /nfs/dbraw/zinc/26/55/05/232265505.db2.gz NFSZILXGKWRZFA-SECBINFHSA-N 0 1 288.307 2.127 20 5 CEBDMN C[C@@H]1CN(Cc2ccc(F)cc2[N+](=O)[O-])C[C@@]1(C)CO ZINC000595861406 345900529 /nfs/dbraw/zinc/90/05/29/345900529.db2.gz VLMAQBSCARUCLN-YGRLFVJLSA-N 0 1 282.315 2.184 20 5 CEBDMN O=[N+]([O-])c1cnc(N2CCCc3[nH]ncc3C2)c(Cl)c1 ZINC000596002699 345922308 /nfs/dbraw/zinc/92/23/08/345922308.db2.gz ITGASPTZDOSUTF-UHFFFAOYSA-N 0 1 293.714 2.319 20 5 CEBDMN CC1(C)CCCN1CCNc1c(Cl)cncc1[N+](=O)[O-] ZINC000596266929 345985797 /nfs/dbraw/zinc/98/57/97/345985797.db2.gz ZIWMNZGGGIRZRG-UHFFFAOYSA-N 0 1 298.774 2.351 20 5 CEBDMN C[C@H](O)CCSCc1cc(O)ccc1[N+](=O)[O-] ZINC000596411016 346017239 /nfs/dbraw/zinc/01/72/39/346017239.db2.gz ZIGBBOCYBHUFRI-QMMMGPOBSA-N 0 1 257.311 2.305 20 5 CEBDMN Cc1cc([N+](=O)[O-])ccc1CN(C)Cc1cnc[nH]1 ZINC000597171335 346140113 /nfs/dbraw/zinc/14/01/13/346140113.db2.gz KBSUPPBCQVSBSR-UHFFFAOYSA-N 0 1 260.297 2.258 20 5 CEBDMN CCC[C@]1(CO)CC[N@@H+](Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000339202173 215011519 /nfs/dbraw/zinc/01/15/19/215011519.db2.gz HOQHGWLIFDCASG-HNNXBMFYSA-N 0 1 294.351 2.285 20 5 CEBDMN CCCc1[nH]nc(C(=O)N(C)C[C@H]2CC2(C)C)c1[N+](=O)[O-] ZINC000598551805 346373478 /nfs/dbraw/zinc/37/34/78/346373478.db2.gz WQGMKFUZOPSDST-SECBINFHSA-N 0 1 294.355 2.389 20 5 CEBDMN COc1ccc([N+](=O)[O-])cc1CN(C)CC1(C)COC1 ZINC000599572730 346540576 /nfs/dbraw/zinc/54/05/76/346540576.db2.gz AQQLEYFHYGLLBF-UHFFFAOYSA-N 0 1 280.324 2.072 20 5 CEBDMN Cc1cc(C[C@@H](C)Nc2ncc(F)cc2[N+](=O)[O-])[nH]n1 ZINC000601131538 346763684 /nfs/dbraw/zinc/76/36/84/346763684.db2.gz MIAULTUUWBGERN-SSDOTTSWSA-N 0 1 279.275 2.204 20 5 CEBDMN CCC[C@H](CNCc1nc2cc([N+](=O)[O-])ccc2[nH]1)OC ZINC000602635710 347116282 /nfs/dbraw/zinc/11/62/82/347116282.db2.gz BKOWXGRKAODOOF-LLVKDONJSA-N 0 1 292.339 2.376 20 5 CEBDMN Cn1cc(CN2CCSC(C)(C)CC2)c([N+](=O)[O-])n1 ZINC000602639972 347117867 /nfs/dbraw/zinc/11/78/67/347117867.db2.gz NCZVSCCGASZAAP-UHFFFAOYSA-N 0 1 284.385 2.046 20 5 CEBDMN Cc1cc(CN[C@H](C)c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000610821111 347716449 /nfs/dbraw/zinc/71/64/49/347716449.db2.gz FDRVXFHNOYHWTF-SNVBAGLBSA-N 0 1 260.297 2.477 20 5 CEBDMN Cc1cc(CN[C@H](C)c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC000610821111 347716452 /nfs/dbraw/zinc/71/64/52/347716452.db2.gz FDRVXFHNOYHWTF-SNVBAGLBSA-N 0 1 260.297 2.477 20 5 CEBDMN C[C@@H](C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)N(C)C ZINC000610892336 347721291 /nfs/dbraw/zinc/72/12/91/347721291.db2.gz CRYZFJLJIJMAOV-NSHDSACASA-N 0 1 291.351 2.036 20 5 CEBDMN O=[N+]([O-])c1c2cccnc2ccc1N1CCc2cn[nH]c2C1 ZINC000611006704 347732121 /nfs/dbraw/zinc/73/21/21/347732121.db2.gz MBVLNTDDQDHMCO-UHFFFAOYSA-N 0 1 295.302 2.429 20 5 CEBDMN O=C(NC[C@H]1Cc2ccccc21)c1cc(O)cc([N+](=O)[O-])c1 ZINC000611555217 347793963 /nfs/dbraw/zinc/79/39/63/347793963.db2.gz RWBXOQNSLFYRIP-GFCCVEGCSA-N 0 1 298.298 2.370 20 5 CEBDMN Cc1cc([N+](=O)[O-])ccc1CN(CC(N)=O)C1CCCC1 ZINC000612576506 347903305 /nfs/dbraw/zinc/90/33/05/347903305.db2.gz RQTRAYNCIIFIEM-UHFFFAOYSA-N 0 1 291.351 2.133 20 5 CEBDMN C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)CCCC(=O)[O-] ZINC000086802376 179337061 /nfs/dbraw/zinc/33/70/61/179337061.db2.gz DDEGUFPYPKOCJG-JTQLQIEISA-N 0 1 266.297 2.452 20 5 CEBDMN Cc1cc(CNC(=O)Nc2ccc([N+](=O)[O-])c(C)c2)n[nH]1 ZINC000613778045 348100500 /nfs/dbraw/zinc/10/05/00/348100500.db2.gz IMSOCAKEAWTYMS-UHFFFAOYSA-N 0 1 289.295 2.256 20 5 CEBDMN CCN1CCN(c2cccc(OC)c2[N+](=O)[O-])C[C@H]1C ZINC000613886202 348119498 /nfs/dbraw/zinc/11/94/98/348119498.db2.gz KZCHHLJZEKEKLR-LLVKDONJSA-N 0 1 279.340 2.134 20 5 CEBDMN CC[C@H](N[C@@H]1CCN(CC)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000619823377 349238035 /nfs/dbraw/zinc/23/80/35/349238035.db2.gz YQDTZMMZWUQRBP-UONOGXRCSA-N 0 1 291.351 2.256 20 5 CEBDMN CCN1CC[C@@H](N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1=O ZINC000619823353 349238095 /nfs/dbraw/zinc/23/80/95/349238095.db2.gz WDUKSQFVTLKCCC-WCQYABFASA-N 0 1 291.351 2.175 20 5 CEBDMN C[C@@H]1CCC[C@@H]1CNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000339790439 215339619 /nfs/dbraw/zinc/33/96/19/215339619.db2.gz CEDBBLODNHTJLO-NXEZZACHSA-N 0 1 278.308 2.466 20 5 CEBDMN C[C@@H]1CCC[C@H]1CNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000339790542 215340307 /nfs/dbraw/zinc/34/03/07/215340307.db2.gz CEDBBLODNHTJLO-ZJUUUORDSA-N 0 1 278.308 2.466 20 5 CEBDMN Cc1cc([C@@H](C)NC(=O)c2n[nH]cc2[N+](=O)[O-])c(C)o1 ZINC000122760515 187050070 /nfs/dbraw/zinc/05/00/70/187050070.db2.gz NCXAEBLQVHKRRZ-SSDOTTSWSA-N 0 1 278.268 2.019 20 5 CEBDMN CCCc1[nH]nc(C(=O)N2CC[C@@H](C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000132012260 366110085 /nfs/dbraw/zinc/11/00/85/366110085.db2.gz SGDUEGQWWSTHGS-NXEZZACHSA-N 0 1 294.355 2.389 20 5 CEBDMN CC(C)O[C@@H]1C[C@H](NCc2c([N+](=O)[O-])ncn2C)C1(C)C ZINC000451489702 283007998 /nfs/dbraw/zinc/00/79/98/283007998.db2.gz CVBHGZIALPCTHE-NWDGAFQWSA-N 0 1 296.371 2.010 20 5 CEBDMN CC[C@@H](Cc1ccccc1)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000132459262 366145911 /nfs/dbraw/zinc/14/59/11/366145911.db2.gz DHRNEGOAWOZOQG-NSHDSACASA-N 0 1 288.307 2.069 20 5 CEBDMN C[C@H]1CCCCN1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000198148593 540229999 /nfs/dbraw/zinc/22/99/99/540229999.db2.gz BLXBCCFVERALFZ-LBPRGKRZSA-N 0 1 291.351 2.432 20 5 CEBDMN Cc1ccc(NC(=O)CN(C)C(C)C)cc1[N+](=O)[O-] ZINC000198663738 540234634 /nfs/dbraw/zinc/23/46/34/540234634.db2.gz NKWNJPKKPLNKRI-UHFFFAOYSA-N 0 1 265.313 2.182 20 5 CEBDMN Cn1cnc([N+](=O)[O-])c1CN1C[C@@H]2[C@@H]3CC[C@@H](C3)[C@@]2(C)C1 ZINC000452041271 283168361 /nfs/dbraw/zinc/16/83/61/283168361.db2.gz CDBUUCRWWNVBQO-NWJSVONSSA-N 0 1 290.367 2.196 20 5 CEBDMN CCOc1cc(CN2C[C@H](C)C[C@H](O)C2)ccc1[N+](=O)[O-] ZINC000452067727 283176041 /nfs/dbraw/zinc/17/60/41/283176041.db2.gz IXELBPMEUTYSOM-YPMHNXCESA-N 0 1 294.351 2.196 20 5 CEBDMN CO[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000076344676 363540720 /nfs/dbraw/zinc/54/07/20/363540720.db2.gz SYYRARBWWYFDGX-CYBMUJFWSA-N 0 1 250.298 2.206 20 5 CEBDMN CC(C)NC(=O)CCNCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000134729218 366354643 /nfs/dbraw/zinc/35/46/43/366354643.db2.gz ALHMEGRUWLNQLU-UHFFFAOYSA-N 0 1 299.758 2.253 20 5 CEBDMN CC1(C)CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CCN1 ZINC000148097081 366579525 /nfs/dbraw/zinc/57/95/25/366579525.db2.gz JIMNNPXRNCYJBC-UHFFFAOYSA-N 0 1 297.742 2.072 20 5 CEBDMN C[C@@H]1CC[C@@](CO)([N@@H+](C)Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000339100303 366654328 /nfs/dbraw/zinc/65/43/28/366654328.db2.gz KIEYBDWJPSZHPQ-IAQYHMDHSA-N 0 1 294.351 2.283 20 5 CEBDMN CC(C)(O)CN(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000179379953 189190170 /nfs/dbraw/zinc/19/01/70/189190170.db2.gz RGKROVQPIADJCM-UHFFFAOYSA-N 0 1 264.325 2.330 20 5 CEBDMN C[C@@H](NCC1(C)OCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000179576187 189203726 /nfs/dbraw/zinc/20/37/26/189203726.db2.gz JGWKRKMMDRMVNU-SNVBAGLBSA-N 0 1 266.297 2.008 20 5 CEBDMN C[C@@]1(CNCc2ccc([N+](=O)[O-])cc2Cl)CCC(=O)N1 ZINC000453585916 283598524 /nfs/dbraw/zinc/59/85/24/283598524.db2.gz HUVKQFMVSKTXEL-ZDUSSCGKSA-N 0 1 297.742 2.007 20 5 CEBDMN C[C@H](NCc1n[nH]c(C2CC2)n1)c1cccc([N+](=O)[O-])c1 ZINC000182797344 189335335 /nfs/dbraw/zinc/33/53/35/189335335.db2.gz SDMQPKRZEVDIRT-VIFPVBQESA-N 0 1 287.323 2.441 20 5 CEBDMN O=[N+]([O-])c1cc(CNC[C@H](O)Cc2ccccc2)cs1 ZINC000238058476 370768317 /nfs/dbraw/zinc/76/83/17/370768317.db2.gz XQOWBQXRFSCLIN-CYBMUJFWSA-N 0 1 292.360 2.350 20 5 CEBDMN COC[C@@H]1CCCN(Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000112987885 364863370 /nfs/dbraw/zinc/86/33/70/364863370.db2.gz IGSXGVHTUKPFIP-CYBMUJFWSA-N 0 1 294.351 2.462 20 5 CEBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC[C@H]1C(F)F ZINC000343383579 367783475 /nfs/dbraw/zinc/78/34/75/367783475.db2.gz ZHSDVYWVQCARIJ-JTQLQIEISA-N 0 1 286.234 2.170 20 5 CEBDMN CC[C@@H](NCC(=O)N(C)CC)c1cccc([N+](=O)[O-])c1 ZINC000181562224 368470211 /nfs/dbraw/zinc/47/02/11/368470211.db2.gz CFQCTOZEFUGYHH-CYBMUJFWSA-N 0 1 279.340 2.114 20 5 CEBDMN C[C@H]1[C@H](C(F)(F)F)CCN1CCn1ccc([N+](=O)[O-])n1 ZINC000348275571 368980511 /nfs/dbraw/zinc/98/05/11/368980511.db2.gz JQSMPQZJVMFSDR-DTWKUNHWSA-N 0 1 292.261 2.064 20 5 CEBDMN C[N@@H+](CCCn1ccnc1)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000349381625 369315104 /nfs/dbraw/zinc/31/51/04/369315104.db2.gz HVDIQEHVQVJHSK-UHFFFAOYSA-N 0 1 290.323 2.019 20 5 CEBDMN Cc1cc([N+](=O)[O-])ccc1CN[C@@H](CO)CC(F)(F)F ZINC000350049588 369491256 /nfs/dbraw/zinc/49/12/56/369491256.db2.gz PCTODLAGKGSQJO-SNVBAGLBSA-N 0 1 292.257 2.306 20 5 CEBDMN C[C@H]1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)[C@@H]1CO ZINC000189720092 369563007 /nfs/dbraw/zinc/56/30/07/369563007.db2.gz ZOMLEFKTLYFQBV-TVQRCGJNSA-N 0 1 284.743 2.451 20 5 CEBDMN C[C@@H]1[C@@H](C)N(Cc2c(F)cc([N+](=O)[O-])cc2F)CCN1C ZINC000351730203 369650930 /nfs/dbraw/zinc/65/09/30/369650930.db2.gz MONOYKLWMXQGOK-NXEZZACHSA-N 0 1 299.321 2.397 20 5 CEBDMN C[C@H]1C[C@H](Nc2ncc([N+](=O)[O-])s2)CN1C1CC1 ZINC000192482761 369819361 /nfs/dbraw/zinc/81/93/61/369819361.db2.gz MWLIIMDQDFEZKQ-YUMQZZPRSA-N 0 1 268.342 2.088 20 5 CEBDMN Cc1ncc(CN(C)CCc2ccccc2[N+](=O)[O-])cn1 ZINC000352570219 369790057 /nfs/dbraw/zinc/79/00/57/369790057.db2.gz DSFMNMPCVJVZOX-UHFFFAOYSA-N 0 1 286.335 2.368 20 5 CEBDMN O=[N+]([O-])c1cnn(CCNCc2sccc2Cl)c1 ZINC000193156634 369900041 /nfs/dbraw/zinc/90/00/41/369900041.db2.gz PZBWHQRJMRSABR-UHFFFAOYSA-N 0 1 286.744 2.296 20 5 CEBDMN Cc1c(CN2CC[C@H](C)[C@@H](O)C2)cccc1[N+](=O)[O-] ZINC000221449399 370241523 /nfs/dbraw/zinc/24/15/23/370241523.db2.gz HLJCOUVABXNRCN-HZMBPMFUSA-N 0 1 264.325 2.106 20 5 CEBDMN C[N@@H+](CCNc1c(F)cc([N+](=O)[O-])cc1F)C1CC1 ZINC000227888900 370387896 /nfs/dbraw/zinc/38/78/96/370387896.db2.gz HWEDEDZMKZLZEX-UHFFFAOYSA-N 0 1 271.267 2.379 20 5 CEBDMN C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](C(=O)[O-])C1 ZINC000226446237 370342494 /nfs/dbraw/zinc/34/24/94/370342494.db2.gz AIXKBHWQUWJGTA-GXSJLCMTSA-N 0 1 264.281 2.062 20 5 CEBDMN O=[N+]([O-])c1ccc(F)cc1CN[C@H]1CCO[C@H]1C1CC1 ZINC000236155841 370583940 /nfs/dbraw/zinc/58/39/40/370583940.db2.gz GIWOZPWGYBOKII-JSGCOSHPSA-N 0 1 280.299 2.391 20 5 CEBDMN CC(C)c1cccc(CNC(=O)c2n[nH]cc2[N+](=O)[O-])c1 ZINC000358836141 371241266 /nfs/dbraw/zinc/24/12/66/371241266.db2.gz XQBHPSXWDVLBMB-UHFFFAOYSA-N 0 1 288.307 2.371 20 5 CEBDMN COc1ccc([N+](=O)[O-])cc1CN1[C@H](C)C[C@@H](O)C[C@@H]1C ZINC000249071488 371290196 /nfs/dbraw/zinc/29/01/96/371290196.db2.gz RDYDYVJVRXNPOS-GNXNZQSNSA-N 0 1 294.351 2.337 20 5 CEBDMN CCN(Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CC1 ZINC000361257281 371743177 /nfs/dbraw/zinc/74/31/77/371743177.db2.gz GEYDPSWEKAZGAS-UHFFFAOYSA-N 0 1 260.297 2.455 20 5 CEBDMN Cc1c([C@@H](C)N[C@H]2CCCN(C)C2=O)cccc1[N+](=O)[O-] ZINC000361965644 372147781 /nfs/dbraw/zinc/14/77/81/372147781.db2.gz IBIIOLJESVYTJW-YPMHNXCESA-N 0 1 291.351 2.175 20 5 CEBDMN Cc1c([C@@H](C)N[C@@H]2CCCN(C)C2=O)cccc1[N+](=O)[O-] ZINC000361965642 372148215 /nfs/dbraw/zinc/14/82/15/372148215.db2.gz IBIIOLJESVYTJW-DGCLKSJQSA-N 0 1 291.351 2.175 20 5 CEBDMN O=C(NCc1cccc(-c2cccnc2)c1)[C@H]1CC1[N+](=O)[O-] ZINC000364097965 372665744 /nfs/dbraw/zinc/66/57/44/372665744.db2.gz OUSPTGSQOZIQAE-LSDHHAIUSA-N 0 1 297.314 2.030 20 5 CEBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@H](CC2CCCC2)C1 ZINC000364592083 372762503 /nfs/dbraw/zinc/76/25/03/372762503.db2.gz QMMCZCYORWOFJN-UPJWGTAASA-N 0 1 266.341 2.080 20 5 CEBDMN CCOc1ccc([N+](=O)[O-])cc1CN1C[C@H](O)[C@@H](CC)C1 ZINC000270996134 373054030 /nfs/dbraw/zinc/05/40/30/373054030.db2.gz YMQHOSVVDQBSPE-FZMZJTMJSA-N 0 1 294.351 2.196 20 5 CEBDMN Cc1ccccc1C1CCN(C(=O)[C@H]2CC2[N+](=O)[O-])CC1 ZINC000369070583 373328462 /nfs/dbraw/zinc/32/84/62/373328462.db2.gz AMNMBVGELQRLJS-GJZGRUSLSA-N 0 1 288.347 2.366 20 5 CEBDMN CCS[C@@H]1CCCCN(Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000370046813 373565497 /nfs/dbraw/zinc/56/54/97/373565497.db2.gz TYSVIZQRBHEPIA-LLVKDONJSA-N 0 1 298.412 2.436 20 5 CEBDMN O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CC[C@H](C3CC3)C2)c1 ZINC000372854600 374212262 /nfs/dbraw/zinc/21/22/62/374212262.db2.gz CSUFSJUNPISFHD-ZFWWWQNUSA-N 0 1 276.336 2.360 20 5 CEBDMN CC1(C)CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000408160765 375420314 /nfs/dbraw/zinc/42/03/14/375420314.db2.gz XLYYGLPQYJAHRJ-UHFFFAOYSA-N 0 1 264.281 2.173 20 5 CEBDMN CCN1CCN(Cc2ccc([N+](=O)[O-])cc2F)[C@@H](C)C1 ZINC000286701643 376040315 /nfs/dbraw/zinc/04/03/15/376040315.db2.gz WJEHECMNCGMHLM-NSHDSACASA-N 0 1 281.331 2.260 20 5 CEBDMN CCN1CCN(Cc2cc([N+](=O)[O-])ccc2OC)[C@@H](C)C1 ZINC000286757522 376055927 /nfs/dbraw/zinc/05/59/27/376055927.db2.gz ZEOPROWIXMFPRS-LBPRGKRZSA-N 0 1 293.367 2.129 20 5 CEBDMN COCCOCCN(C)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000288764030 376383301 /nfs/dbraw/zinc/38/33/01/376383301.db2.gz HRZMHVYVTZXYIW-LBPRGKRZSA-N 0 1 282.340 2.251 20 5 CEBDMN Cc1cccc([N+](=O)[O-])c1NCCCCN1CCOCC1 ZINC000263779154 190078295 /nfs/dbraw/zinc/07/82/95/190078295.db2.gz VDGRYPUOWIHXIJ-UHFFFAOYSA-N 0 1 293.367 2.428 20 5 CEBDMN CC(C)N1CCN(Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000313555728 376748869 /nfs/dbraw/zinc/74/88/69/376748869.db2.gz SQNHGVIIAKROEM-UHFFFAOYSA-N 0 1 281.331 2.260 20 5 CEBDMN O=C(NCCc1cccs1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000427681697 377436841 /nfs/dbraw/zinc/43/68/41/377436841.db2.gz DUIGLURRRNHPHX-UHFFFAOYSA-N 0 1 292.316 2.334 20 5 CEBDMN Cc1n[nH]c(C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)c1C ZINC000265236398 190167823 /nfs/dbraw/zinc/16/78/23/190167823.db2.gz PFVJIUJIQURDCB-SNVBAGLBSA-N 0 1 288.307 2.426 20 5 CEBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCC[C@H](F)C1 ZINC000566399997 377760811 /nfs/dbraw/zinc/76/08/11/377760811.db2.gz JCWYSMPSVAMGOZ-QMMMGPOBSA-N 0 1 292.270 2.045 20 5 CEBDMN CC[C@H]1CCCC[C@H]1CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000295675532 378260137 /nfs/dbraw/zinc/26/01/37/378260137.db2.gz IDJDARFZSXJULQ-UWVGGRQHSA-N 0 1 280.328 2.264 20 5 CEBDMN O=[N+]([O-])c1cnc2c(c1)CN(CCc1cscn1)CC2 ZINC000450689474 378533497 /nfs/dbraw/zinc/53/34/97/378533497.db2.gz FERVQFFCNWYECM-UHFFFAOYSA-N 0 1 290.348 2.047 20 5 CEBDMN CC[C@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1C)C(=O)NC ZINC000453400143 378886402 /nfs/dbraw/zinc/88/64/02/378886402.db2.gz KTTMXZVSFLCRSA-JQWIXIFHSA-N 0 1 279.340 2.078 20 5 CEBDMN Cc1ccc(NC(=O)NC[C@H]2CCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000299262306 378946713 /nfs/dbraw/zinc/94/67/13/378946713.db2.gz VTPYCXFQSZGPBH-GFCCVEGCSA-N 0 1 292.339 2.119 20 5 CEBDMN Cc1ccc(C[N@@H+]2CC[C@H](C)[C@H](C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000514602646 379130157 /nfs/dbraw/zinc/13/01/57/379130157.db2.gz IILPIPLZIGDPJR-GXFFZTMASA-N 0 1 292.335 2.446 20 5 CEBDMN C[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])[C@H]1CCC[C@@H](C)C1 ZINC000457018084 379628033 /nfs/dbraw/zinc/62/80/33/379628033.db2.gz WJXXKBUOPWTMOA-UTLUCORTSA-N 0 1 280.328 2.263 20 5 CEBDMN C[C@H]1CN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C[C@H]1C ZINC000267597060 190340393 /nfs/dbraw/zinc/34/03/93/190340393.db2.gz DXNHVPRQEPVQCJ-DTORHVGOSA-N 0 1 288.307 2.199 20 5 CEBDMN C[C@]1(CO)CCCN1Cc1ccc([N+](=O)[O-])cc1F ZINC000544758345 380358802 /nfs/dbraw/zinc/35/88/02/380358802.db2.gz BGJXZRYKTOIADS-CYBMUJFWSA-N 0 1 268.288 2.081 20 5 CEBDMN C[C@H](NC(=O)CN1CC[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000548826124 380568006 /nfs/dbraw/zinc/56/80/06/380568006.db2.gz WESIBVAYJRZIGF-RYUDHWBXSA-N 0 1 291.351 2.114 20 5 CEBDMN CC[N@H+](Cc1cc([O-])ccc1[N+](=O)[O-])C[C@@H](C)OC ZINC000339208368 285095773 /nfs/dbraw/zinc/09/57/73/285095773.db2.gz VSYMCBJHFDOFKW-SNVBAGLBSA-N 0 1 268.313 2.157 20 5 CEBDMN COc1ccc([N+](=O)[O-])cc1CN1CC[C@H](CO)C[C@@H]1C ZINC000289090924 197231763 /nfs/dbraw/zinc/23/17/63/197231763.db2.gz UMRNWXFRLGCBRT-RYUDHWBXSA-N 0 1 294.351 2.196 20 5 CEBDMN COC[C@@H](NCc1c(F)cccc1[N+](=O)[O-])C1CC1 ZINC000181560617 285238982 /nfs/dbraw/zinc/23/89/82/285238982.db2.gz GXMQCXCLIMUFPE-GFCCVEGCSA-N 0 1 268.288 2.249 20 5 CEBDMN CC[C@](C)(CO)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000080886621 177724161 /nfs/dbraw/zinc/72/41/61/177724161.db2.gz YENYJJADUAEPKC-GFCCVEGCSA-N 0 1 272.732 2.499 20 5 CEBDMN O=[N+]([O-])c1ccc(CCN2CC[C@@]23CCOC3)cc1 ZINC000421013159 394462378 /nfs/dbraw/zinc/46/23/78/394462378.db2.gz FUGMNRWVLRPVMZ-AWEZNQCLSA-N 0 1 262.309 2.002 20 5 CEBDMN Cc1cc([N+](=O)[O-])cnc1NCc1n[nH]c(C(C)(C)C)n1 ZINC000413420348 394547287 /nfs/dbraw/zinc/54/72/87/394547287.db2.gz PFYNKSPYIVOLCK-UHFFFAOYSA-N 0 1 290.327 2.326 20 5 CEBDMN CC[C@H]1CCCCN1Cc1c([N+](=O)[O-])ncn1C ZINC000331071493 394627757 /nfs/dbraw/zinc/62/77/57/394627757.db2.gz SNSCGSPGRYUEIX-JTQLQIEISA-N 0 1 252.318 2.093 20 5 CEBDMN C[C@@H]1CN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C[C@H]1C ZINC000267597071 394682169 /nfs/dbraw/zinc/68/21/69/394682169.db2.gz DXNHVPRQEPVQCJ-RKDXNWHRSA-N 0 1 288.307 2.199 20 5 CEBDMN O=[N+]([O-])c1cnn(CCN2CC[C@@H]2Cc2ccccc2)c1 ZINC000437832353 395199195 /nfs/dbraw/zinc/19/91/95/395199195.db2.gz GIDRVNZEZNXMFY-CQSZACIVSA-N 0 1 286.335 2.108 20 5 CEBDMN CC(C)N(C)C(=O)CN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000411768879 395338922 /nfs/dbraw/zinc/33/89/22/395338922.db2.gz JCWKYLFNSBGFET-NSHDSACASA-N 0 1 279.340 2.112 20 5 CEBDMN CCc1[nH]nc(C(=O)N2C[C@H](C)C[C@H](C)[C@H]2C)c1[N+](=O)[O-] ZINC000444411372 395431067 /nfs/dbraw/zinc/43/10/67/395431067.db2.gz MFZKSORZTLGUFG-KXUCPTDWSA-N 0 1 294.355 2.387 20 5 CEBDMN Cc1noc([C@H](C)N(C)Cc2cc(O)ccc2[N+](=O)[O-])n1 ZINC000565783054 395484080 /nfs/dbraw/zinc/48/40/80/395484080.db2.gz KVTSMBFRSGYSAK-QMMMGPOBSA-N 0 1 292.295 2.185 20 5 CEBDMN O=[N+]([O-])c1cc(CN[C@@H]2CCO[C@@H]2C2CC2)cs1 ZINC000230315203 153390841 /nfs/dbraw/zinc/39/08/41/153390841.db2.gz DAMMEGNQQKNVSK-ZYHUDNBSSA-N 0 1 268.338 2.313 20 5 CEBDMN C[C@@H](C(=O)[O-])[N@@H+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000263413003 154078339 /nfs/dbraw/zinc/07/83/39/154078339.db2.gz MDDBNDBOXJSOOF-STUBTGCMSA-N 0 1 264.281 2.013 20 5 CEBDMN C[C@H]1CN(Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1CO ZINC000362063612 155743016 /nfs/dbraw/zinc/74/30/16/155743016.db2.gz HMOUXPIHXMLRBC-ONGXEEELSA-N 0 1 284.743 2.308 20 5 CEBDMN O=C(N[C@@H]1CC[C@H](c2ccccc2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000367486587 156194241 /nfs/dbraw/zinc/19/42/41/156194241.db2.gz SOYIKMMWMWOEJE-DGAVXFQQSA-N 0 1 274.320 2.104 20 5 CEBDMN C[C@H]1CC[C@H](CNCc2ccc([N+](=O)[O-])cc2F)O1 ZINC000398064221 270355986 /nfs/dbraw/zinc/35/59/86/270355986.db2.gz HENHMKTWPFCGSA-JOYOIKCWSA-N 0 1 268.288 2.391 20 5 CEBDMN O=C(N[C@@H]1CC12CCCC2)c1cc(O)cc([N+](=O)[O-])c1 ZINC000430220133 271365655 /nfs/dbraw/zinc/36/56/55/271365655.db2.gz BMNQAARCQVVEMU-GFCCVEGCSA-N 0 1 276.292 2.363 20 5 CEBDMN O=[N+]([O-])c1ccc(N2CC[C@@H](N3CC=CC3)C2)c(F)c1 ZINC000266271799 275036788 /nfs/dbraw/zinc/03/67/88/275036788.db2.gz RGKHJQUFZGPYPB-GFCCVEGCSA-N 0 1 277.299 2.184 20 5 CEBDMN CC(C)[C@H]1CN(C)CCN1c1ncc(Cl)cc1[N+](=O)[O-] ZINC000301751653 276032378 /nfs/dbraw/zinc/03/23/78/276032378.db2.gz VABFAKPAGTVBCM-GFCCVEGCSA-N 0 1 298.774 2.420 20 5 CEBDMN CC(C)c1[nH]nc(C(=O)N2C[C@@H]3CCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000269520333 276041124 /nfs/dbraw/zinc/04/11/24/276041124.db2.gz QDGIXEKHOGMUNX-AOOOYVTPSA-N 0 1 292.339 2.313 20 5 CEBDMN CCN(C)C(=O)[C@@H](C)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000188469001 276303978 /nfs/dbraw/zinc/30/39/78/276303978.db2.gz NSFPWKVKBWZNIT-GHMZBOCLSA-N 0 1 279.340 2.112 20 5 CEBDMN CN1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000020479103 277050418 /nfs/dbraw/zinc/05/04/18/277050418.db2.gz MYHJYUUOZGZLDB-UHFFFAOYSA-N 0 1 297.742 2.026 20 5 CEBDMN CC(C)c1[nH]nc(C(=O)N2CCC[C@](C)(F)C2)c1[N+](=O)[O-] ZINC000295690812 278000017 /nfs/dbraw/zinc/00/00/17/278000017.db2.gz ZQBFNNAGIRRRRO-ZDUSSCGKSA-N 0 1 298.318 2.406 20 5 CEBDMN CC(=O)c1ccc(N(C)[C@H]2CCCN(C)C2)c([N+](=O)[O-])c1 ZINC000053245571 278246611 /nfs/dbraw/zinc/24/66/11/278246611.db2.gz OOZNKLPLAPZTTJ-ZDUSSCGKSA-N 0 1 291.351 2.328 20 5 CEBDMN C[C@@H]1[C@H](C)N(c2ccc(F)cc2[N+](=O)[O-])CCN1C ZINC000356793114 279104367 /nfs/dbraw/zinc/10/43/67/279104367.db2.gz KBLCBLQAVPQFMF-ZJUUUORDSA-N 0 1 267.304 2.263 20 5 CEBDMN Cc1cc(N2C[C@@H](C)[C@@H](O)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000340790296 280583876 /nfs/dbraw/zinc/58/38/76/280583876.db2.gz XQKRMMNYPMJLHE-PSLIRLAXSA-N 0 1 287.319 2.268 20 5 CEBDMN COCC(C)(C)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000425269213 281184145 /nfs/dbraw/zinc/18/41/45/281184145.db2.gz BOVPYKZOCSARKZ-UHFFFAOYSA-N 0 1 293.367 2.142 20 5 CEBDMN COc1cc(/C=C\c2ccncn2)cc([N+](=O)[O-])c1O ZINC000436865712 281409220 /nfs/dbraw/zinc/40/92/20/281409220.db2.gz SWGASQPIJZBBBA-IHWYPQMZSA-N 0 1 273.248 2.269 20 5 CEBDMN O=C(Nc1ccc2[nH]nnc2c1)c1ccc([N+](=O)[O-])s1 ZINC000153719451 289120569 /nfs/dbraw/zinc/12/05/69/289120569.db2.gz KKVZVUZAOGAJBV-UHFFFAOYSA-N 0 1 289.276 2.180 20 5 CEBDMN CC(C)C[C@H](N)c1noc(-c2cc([N+](=O)[O-])cn2C)n1 ZINC000563120879 298738869 /nfs/dbraw/zinc/73/88/69/298738869.db2.gz KUQKVZGDUUBBTH-VIFPVBQESA-N 0 1 279.300 2.029 20 5 CEBDMN C[C@]1(C(=O)[O-])CC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000062936498 518185344 /nfs/dbraw/zinc/18/53/44/518185344.db2.gz RTFLGMYUKPKSCP-ZDUSSCGKSA-N 0 1 282.271 2.031 20 5 CEBDMN COc1ccc(C[N@H+](CC(=O)[O-])CC(C)C)cc1[N+](=O)[O-] ZINC000062743288 524012772 /nfs/dbraw/zinc/01/27/72/524012772.db2.gz SVBDEILXJPBGOZ-UHFFFAOYSA-N 0 1 296.323 2.146 20 5 CEBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@@H]1c1ccc(F)c(F)c1 ZINC000363403349 526499918 /nfs/dbraw/zinc/49/99/18/526499918.db2.gz AODLABMPBHFQIP-WQAKAFBOSA-N 0 1 296.273 2.294 20 5 CEBDMN O=C(N[C@@H]1CCC[C@H]1c1ccccc1)[C@@H]1CC1[N+](=O)[O-] ZINC000365543097 526911955 /nfs/dbraw/zinc/91/19/55/526911955.db2.gz CNKDVVYZIOUOPK-DGAVXFQQSA-N 0 1 274.320 2.104 20 5 CEBDMN CO[C@@H](CNCc1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC000733330339 574665082 /nfs/dbraw/zinc/66/50/82/574665082.db2.gz ULIDVCPFAQAEKW-JTQLQIEISA-N 0 1 278.230 2.262 20 5 CEBDMN C[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)CC[C@@H]1NC(=O)[O-] ZINC000739187137 574898479 /nfs/dbraw/zinc/89/84/79/574898479.db2.gz HVLPBHHUCNYHDG-MFKMUULPSA-N 0 1 293.323 2.073 20 5 CEBDMN O=C([O-])C[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000054300570 597088333 /nfs/dbraw/zinc/08/83/33/597088333.db2.gz LUIFGEJTOHWESS-JTQLQIEISA-N 0 1 296.298 2.421 20 5 CEBDMN C[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1C(=O)[O-] ZINC000235357800 601515332 /nfs/dbraw/zinc/51/53/32/601515332.db2.gz OXVYSRGSJUNADB-LDYMZIIASA-N 0 1 298.726 2.401 20 5 CEBDMN C[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C[C@@H]1C(=O)[O-] ZINC000093633548 601526239 /nfs/dbraw/zinc/52/62/39/601526239.db2.gz JBGBISMBBHOLDL-KCJUWKMLSA-N 0 1 298.726 2.401 20 5 CEBDMN C[C@@H](NCc1cccc([N+](=O)[O-])c1)c1ccnn1C ZINC000235187611 625052913 /nfs/dbraw/zinc/05/29/13/625052913.db2.gz GKPZFLBBDVHCAP-SNVBAGLBSA-N 0 1 260.297 2.179 20 5 CEBDMN C[C@@H]1CN(c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)[C@H](C)CN1C ZINC000893079827 627986397 /nfs/dbraw/zinc/98/63/97/627986397.db2.gz KJOZWEDNGJDSBK-NXEZZACHSA-N 0 1 294.311 2.032 20 5 CEBDMN O=[N+]([O-])c1ccc(-c2noc([C@H]3CCCCN3)n2)cc1 ZINC000035697357 628195598 /nfs/dbraw/zinc/19/55/98/628195598.db2.gz DJCONZUSRNMWMT-LLVKDONJSA-N 0 1 274.280 2.459 20 5 CEBDMN COCC(C)(C)CC(=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000840595092 628382128 /nfs/dbraw/zinc/38/21/28/628382128.db2.gz IISXHUYGHMQZSX-UHFFFAOYSA-N 0 1 297.307 2.406 20 5 CEBDMN CC(C)(C)c1ccc(COC(=O)[C@@H]2CC2[N+](=O)[O-])o1 ZINC000893468435 628638901 /nfs/dbraw/zinc/63/89/01/628638901.db2.gz NXZAOMRKUGUZPD-NXEZZACHSA-N 0 1 267.281 2.286 20 5 CEBDMN Cc1ccc([N+](=O)[O-])c(-c2nc(C3(N)CCC3)no2)c1 ZINC000261625979 628951278 /nfs/dbraw/zinc/95/12/78/628951278.db2.gz CEFDDBRICUEWJU-UHFFFAOYSA-N 0 1 274.280 2.291 20 5 CEBDMN O=C(/C=C/[C@@H]1CCCO1)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000821398970 634710983 /nfs/dbraw/zinc/71/09/83/634710983.db2.gz WAZYGFZZKMTFNF-FUEXJSSKSA-N 0 1 293.275 2.079 20 5 CEBDMN Cc1cc(COC(=O)[C@@H]2CC2[N+](=O)[O-])c(C)s1 ZINC000840672633 629328228 /nfs/dbraw/zinc/32/82/28/629328228.db2.gz KGHRRVMWKAHZGM-NXEZZACHSA-N 0 1 255.295 2.073 20 5 CEBDMN O=C(OCc1ccc(Cl)c(F)c1)[C@@H]1CC1[N+](=O)[O-] ZINC000840673573 629359035 /nfs/dbraw/zinc/35/90/35/629359035.db2.gz TUKTVJULPKIMTO-GMSGAONNSA-N 0 1 273.647 2.188 20 5 CEBDMN C[C@H]1CN(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)CCN1 ZINC000841232176 629777115 /nfs/dbraw/zinc/77/71/15/629777115.db2.gz BEDJAFOIBUSJIN-QMMMGPOBSA-N 0 1 298.730 2.074 20 5 CEBDMN Cc1nn(CN2CC[C@@H]3CCC[C@@H]32)c(C)c1[N+](=O)[O-] ZINC000902649861 634766198 /nfs/dbraw/zinc/76/61/98/634766198.db2.gz GNIHXEKRNGMGKK-RYUDHWBXSA-N 0 1 264.329 2.240 20 5 CEBDMN COc1cccc(SC)c1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000841374447 631183553 /nfs/dbraw/zinc/18/35/53/631183553.db2.gz SAEJVTQHJZJMRG-HTQZYQBOSA-N 0 1 282.321 2.021 20 5 CEBDMN CO[C@H](C)CN[C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872064947 631245143 /nfs/dbraw/zinc/24/51/43/631245143.db2.gz PQUHAOUSZBZSSM-RKDXNWHRSA-N 0 1 256.277 2.419 20 5 CEBDMN Cc1nc([C@H](C)OC(=O)c2ccc([N+](=O)[O-])cc2F)n[nH]1 ZINC000840214266 632298107 /nfs/dbraw/zinc/29/81/07/632298107.db2.gz FSXYYVJXESBCSS-LURJTMIESA-N 0 1 294.242 2.078 20 5 CEBDMN O=C([O-])[C@]1(F)CC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000901513771 634170508 /nfs/dbraw/zinc/17/05/08/634170508.db2.gz DPEKGLCMPMXDHO-KQIUPUNMSA-N 0 1 294.282 2.107 20 5 CEBDMN O=C([O-])[C@]1(F)CC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000901513771 634170510 /nfs/dbraw/zinc/17/05/10/634170510.db2.gz DPEKGLCMPMXDHO-KQIUPUNMSA-N 0 1 294.282 2.107 20 5 CEBDMN C[C@@H](C[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)[O-] ZINC000901597412 634203534 /nfs/dbraw/zinc/20/35/34/634203534.db2.gz GTCWXCBATBEICE-QMMMGPOBSA-N 0 1 286.715 2.401 20 5 CEBDMN O=C(Nc1ccccc1C(F)F)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000819725893 634244973 /nfs/dbraw/zinc/24/49/73/634244973.db2.gz KYGWUSVZPBWPOB-VXNVDRBHSA-N 0 1 256.208 2.228 20 5 CEBDMN Cc1ccc(Cl)c(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 ZINC000840398654 634274496 /nfs/dbraw/zinc/27/44/96/634274496.db2.gz JXEQITBTAUSDQZ-GMSGAONNSA-N 0 1 254.673 2.252 20 5 CEBDMN O=C([O-])[C@]12C[C@H]1CCC[N@H+]2Cc1ccc([N+](=O)[O-])cc1 ZINC000903938364 635363852 /nfs/dbraw/zinc/36/38/52/635363852.db2.gz PMJCKBRRJYAMCI-RISCZKNCSA-N 0 1 276.292 2.034 20 5 CEBDMN CC[C@@H](C)[C@@H](C(=O)[O-])[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000903962576 635371889 /nfs/dbraw/zinc/37/18/89/635371889.db2.gz JMKMSSANBMJWRP-YGRLFVJLSA-N 0 1 292.335 2.452 20 5 CEBDMN CCN(CC(=O)NCc1ccc(C)c([N+](=O)[O-])c1)C1CC1 ZINC000825648731 635685845 /nfs/dbraw/zinc/68/58/45/635685845.db2.gz ZUXWYQSBIHKSQE-UHFFFAOYSA-N 0 1 291.351 2.004 20 5 CEBDMN CCc1nc(CNc2cc([N+](=O)[O-])ccc2C(C)=O)n[nH]1 ZINC000828267369 636554382 /nfs/dbraw/zinc/55/43/82/636554382.db2.gz GNXBSSRWZYUFBE-UHFFFAOYSA-N 0 1 289.295 2.090 20 5 CEBDMN CC[C@@H](C)OCC(=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837592946 639299759 /nfs/dbraw/zinc/29/97/59/639299759.db2.gz NURJAVFZMIVMIQ-SECBINFHSA-N 0 1 283.280 2.159 20 5 CEBDMN CC[C@H](C)[C@@H](OC)C(=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837696761 639347142 /nfs/dbraw/zinc/34/71/42/639347142.db2.gz QNZAEVUICAOKQY-TVQRCGJNSA-N 0 1 297.307 2.405 20 5 CEBDMN CC[C@@H](NC)c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000044626030 639349566 /nfs/dbraw/zinc/34/95/66/639349566.db2.gz FTVYUAZDSZSQLK-SNVBAGLBSA-N 0 1 262.269 2.315 20 5 CEBDMN C[C@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1cccc(Cl)c1 ZINC000840672493 639520826 /nfs/dbraw/zinc/52/08/26/639520826.db2.gz RQQIDFAHJLIKBZ-WHGOUJPWSA-N 0 1 297.694 2.120 20 5 CEBDMN CCc1nc(C)c([C@@H](C)OC(=O)[C@@H]2CC2[N+](=O)[O-])s1 ZINC000841125055 639685964 /nfs/dbraw/zinc/68/59/64/639685964.db2.gz CZWQZLRMBJAKOB-IWSPIJDZSA-N 0 1 284.337 2.283 20 5 CEBDMN CCc1ccc2c(c1)[C@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])CCO2 ZINC000841185365 639701836 /nfs/dbraw/zinc/70/18/36/639701836.db2.gz VQNYSRIPMDYBGH-MPKXVKKWSA-N 0 1 291.303 2.281 20 5 CEBDMN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])[C@H]1CCC[C@H]1C(C)(C)C ZINC000841451987 639765410 /nfs/dbraw/zinc/76/54/10/639765410.db2.gz CHZGOFOHZYXSJV-WISYIIOYSA-N 0 1 268.357 2.325 20 5 CEBDMN CC(C)C[C@H](N)c1noc(CCC(C)(C)[N+](=O)[O-])n1 ZINC000842587322 640110135 /nfs/dbraw/zinc/11/01/35/640110135.db2.gz ZEDYMJBEUCMPOZ-VIFPVBQESA-N 0 1 270.333 2.103 20 5 CEBDMN CCCN[C@@H](C)c1nc(-c2ccc(N)c([N+](=O)[O-])c2)no1 ZINC000843170042 640323176 /nfs/dbraw/zinc/32/31/76/640323176.db2.gz ZFJXUCXKPAFEMD-QMMMGPOBSA-N 0 1 291.311 2.288 20 5 CEBDMN Cc1nc2c(o1)CCC[C@H]2OC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000847909965 641831302 /nfs/dbraw/zinc/83/13/02/641831302.db2.gz WCVBLVTXVFFZNL-SNVBAGLBSA-N 0 1 291.263 2.454 20 5 CEBDMN O=[N+]([O-])c1ccc(CN2CCC[C@@H]2CCO)cc1F ZINC000311362500 642827642 /nfs/dbraw/zinc/82/76/42/642827642.db2.gz RAYMKHDNXJYSKZ-LLVKDONJSA-N 0 1 268.288 2.081 20 5 CEBDMN C[C@]12COC[C@@H]1CN(Cc1ccc([N+](=O)[O-])c(F)c1)C2 ZINC000852534738 643460505 /nfs/dbraw/zinc/46/05/05/643460505.db2.gz OUZQUGDUBKTASE-FZMZJTMJSA-N 0 1 280.299 2.202 20 5 CEBDMN O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CC[C@@H]2COC[C@H]2C1 ZINC000852669982 643506051 /nfs/dbraw/zinc/50/60/51/643506051.db2.gz UOEVHLLSZGQSSJ-ZYHUDNBSSA-N 0 1 280.299 2.202 20 5 CEBDMN O=[N+]([O-])c1ccc(F)cc1CN1CC[C@@H]2COC[C@H]2C1 ZINC000852669982 643506056 /nfs/dbraw/zinc/50/60/56/643506056.db2.gz UOEVHLLSZGQSSJ-ZYHUDNBSSA-N 0 1 280.299 2.202 20 5 CEBDMN CN(CC1=CCSC1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000852747565 643532225 /nfs/dbraw/zinc/53/22/25/643532225.db2.gz OBERLKBGVIKTFP-CQSZACIVSA-N 0 1 294.376 2.233 20 5 CEBDMN CC[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000923470207 643725331 /nfs/dbraw/zinc/72/53/31/643725331.db2.gz FIQSIGPQEKSILX-CQSZACIVSA-N 0 1 293.323 2.067 20 5 CEBDMN C[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000839457153 644235620 /nfs/dbraw/zinc/23/56/20/644235620.db2.gz QQPISHDPGMZRRM-AVPPRXQKSA-N 0 1 268.700 2.182 20 5 CEBDMN CC1(C)C[C@@]1(NC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccccc1 ZINC000856458291 644673949 /nfs/dbraw/zinc/67/39/49/644673949.db2.gz QANZTIJYIHKQEL-LALPHHSUSA-N 0 1 274.320 2.093 20 5 CEBDMN CC(C)[C@@H](O)CC[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000877917593 650947417 /nfs/dbraw/zinc/94/74/17/650947417.db2.gz YVZTUXFIACXRPM-AWEZNQCLSA-N 0 1 266.341 2.434 20 5 CEBDMN CC(C)[C@@H](O)CCN(C)Cc1ccccc1[N+](=O)[O-] ZINC000877917593 650947419 /nfs/dbraw/zinc/94/74/19/650947419.db2.gz YVZTUXFIACXRPM-AWEZNQCLSA-N 0 1 266.341 2.434 20 5 CEBDMN CC(C)c1cccc(CNC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC000839727515 644794178 /nfs/dbraw/zinc/79/41/78/644794178.db2.gz FVDDVZKKIUJNFR-CHWSQXEVSA-N 0 1 262.309 2.091 20 5 CEBDMN CC(C)C[C@@]1(C)CCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839783417 644816009 /nfs/dbraw/zinc/81/60/09/644816009.db2.gz GTUQCGRFUXQJKG-NQBHXWOUSA-N 0 1 254.330 2.079 20 5 CEBDMN CCN1CC[C@H]1CNC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000877952536 650956703 /nfs/dbraw/zinc/95/67/03/650956703.db2.gz PCMVKFIUSDXLSB-NSHDSACASA-N 0 1 292.339 2.119 20 5 CEBDMN COC1(COC(=O)c2ccc([N+](=O)[O-])[nH]2)CCCC1 ZINC000759876498 645087376 /nfs/dbraw/zinc/08/73/76/645087376.db2.gz UWNFICKUOKKZJF-UHFFFAOYSA-N 0 1 268.269 2.039 20 5 CEBDMN COC(=O)C1=CC[C@H](NCc2csc([N+](=O)[O-])c2)C1 ZINC000862465629 646470220 /nfs/dbraw/zinc/47/02/20/646470220.db2.gz RYGDGDUXCFCZAS-JTQLQIEISA-N 0 1 282.321 2.008 20 5 CEBDMN COc1cc(F)c([N+](=O)[O-])c(N[C@H]2CCN(C3CC3)C2)c1 ZINC000771138842 646495782 /nfs/dbraw/zinc/49/57/82/646495782.db2.gz HDTZAORDQMZNRW-VIFPVBQESA-N 0 1 295.314 2.391 20 5 CEBDMN CN(Cc1cccnc1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776593864 647076865 /nfs/dbraw/zinc/07/68/65/647076865.db2.gz OAFCXQCNYFIHTA-HNNXBMFYSA-N 0 1 287.319 2.155 20 5 CEBDMN C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2Cl)CCN1C ZINC000782485699 647630196 /nfs/dbraw/zinc/63/01/96/647630196.db2.gz DMATWIGNLRXXRM-SNVBAGLBSA-N 0 1 283.759 2.384 20 5 CEBDMN C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])NCc1ccn(C)n1 ZINC000866312432 647732187 /nfs/dbraw/zinc/73/21/87/647732187.db2.gz NNNTUUBCEQWSCN-JTQLQIEISA-N 0 1 292.314 2.188 20 5 CEBDMN O=C(OCc1c(Cl)cncc1Cl)[C@@H]1CC1[N+](=O)[O-] ZINC000869539371 648505118 /nfs/dbraw/zinc/50/51/18/648505118.db2.gz YNCQGMONTSVTBO-MLUIRONXSA-N 0 1 291.090 2.097 20 5 CEBDMN C[C@@H](NCC(C)(C)O)c1c(F)cccc1[N+](=O)[O-] ZINC000872035037 649248641 /nfs/dbraw/zinc/24/86/41/649248641.db2.gz KAMBPYPIZIOJPR-MRVPVSSYSA-N 0 1 256.277 2.155 20 5 CEBDMN COCC1([N@@H+](C)Cc2cc([O-])ccc2[N+](=O)[O-])CCC1 ZINC000880185247 651397308 /nfs/dbraw/zinc/39/73/08/651397308.db2.gz KBJTUUQXYJRILY-UHFFFAOYSA-N 0 1 280.324 2.301 20 5 CEBDMN CN(C)[C@H](CNc1ccnc(F)c1[N+](=O)[O-])c1ccco1 ZINC000881751112 651873358 /nfs/dbraw/zinc/87/33/58/651873358.db2.gz CTDDLRYUNMXXIX-SNVBAGLBSA-N 0 1 294.286 2.437 20 5 CEBDMN O=[N+]([O-])c1ccc(CN2CCCCC[C@@H]2CO)cc1F ZINC000133338519 652621428 /nfs/dbraw/zinc/62/14/28/652621428.db2.gz GBPGPEJYTBMXLD-GFCCVEGCSA-N 0 1 282.315 2.471 20 5 CEBDMN C[C@H]1CN(c2cc(Cl)cc([N+](=O)[O-])n2)[C@@H](C)CN1C ZINC001164640143 719184772 /nfs/dbraw/zinc/18/47/72/719184772.db2.gz UTRZOMCMHMWUJW-IUCAKERBSA-N 0 1 284.747 2.172 20 5 CEBDMN NCc1nccnc1Nc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC001171440783 815093370 /nfs/dbraw/zinc/09/33/70/815093370.db2.gz IEPFRTYRPLMPRY-UHFFFAOYSA-N 0 1 296.290 2.135 20 5 CEBDMN Cc1ccc(CNCc2ccc[nH]c2=O)cc1[N+](=O)[O-] ZINC000714983935 807460022 /nfs/dbraw/zinc/46/00/22/807460022.db2.gz NDLVYCFNIGGAGI-UHFFFAOYSA-N 0 1 273.292 2.294 20 5 CEBDMN O=C(Nc1cccc(F)c1O)c1cc(O)cc([N+](=O)[O-])c1 ZINC001171632522 815201837 /nfs/dbraw/zinc/20/18/37/815201837.db2.gz FBEVNJKZINBGRS-UHFFFAOYSA-N 0 1 292.222 2.397 20 5 CEBDMN O=[N+]([O-])c1cc(Cl)ccc1CN[C@@H]1CCOC1 ZINC000131484800 808684538 /nfs/dbraw/zinc/68/45/38/808684538.db2.gz UFBLPMMPRZVEIT-SNVBAGLBSA-N 0 1 256.689 2.127 20 5 CEBDMN CC(C)(O)[C@H]1CCCN1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000707131729 809880193 /nfs/dbraw/zinc/88/01/93/809880193.db2.gz UOYRTDKMHFOEIM-CYBMUJFWSA-N 0 1 282.315 2.469 20 5 CEBDMN CCOC(=O)[C@H]1C[C@H](C)CCN1[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169035158 811346726 /nfs/dbraw/zinc/34/67/26/811346726.db2.gz ATUWXBCVUAYGJR-XJFOESAGSA-N 0 1 298.383 2.095 20 5 CEBDMN CCC1(C(=O)NCCNCc2csc([N+](=O)[O-])c2)CC1 ZINC001133407090 813049798 /nfs/dbraw/zinc/04/97/98/813049798.db2.gz YMWXYOZPPLKIPQ-UHFFFAOYSA-N 0 1 297.380 2.052 20 5 CEBDMN CN1CC(CNc2ccc3c(cccc3[N+](=O)[O-])n2)C1 ZINC001159218949 813302540 /nfs/dbraw/zinc/30/25/40/813302540.db2.gz UOXXCCSZRGPGJK-UHFFFAOYSA-N 0 1 272.308 2.117 20 5 CEBDMN CC[C@](C)(NC(=O)c1n[nH]cc1[N+](=O)[O-])c1ccccc1 ZINC001146926571 814347479 /nfs/dbraw/zinc/34/74/79/814347479.db2.gz OCTUHSWYNDQLBW-AWEZNQCLSA-N 0 1 288.307 2.373 20 5 CEBDMN CCN(CCn1ccc([N+](=O)[O-])n1)Cc1ccccc1F ZINC001116202083 814840004 /nfs/dbraw/zinc/84/00/04/814840004.db2.gz DCKDFSQAJNKMRK-UHFFFAOYSA-N 0 1 292.314 2.453 20 5 CEBDMN Cc1ccc(C[N@@H+]2CC[C@H](C(=O)[O-])[C@@H]2C)cc1[N+](=O)[O-] ZINC000714012514 814881972 /nfs/dbraw/zinc/88/19/72/814881972.db2.gz GOIFBBFVMOPUDK-JQWIXIFHSA-N 0 1 278.308 2.198 20 5 CEBDMN Cc1ccc(C[N@H+]2CC[C@@](C)(C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000714015876 814882308 /nfs/dbraw/zinc/88/23/08/814882308.db2.gz SVCLHRGQJNVTGF-CQSZACIVSA-N 0 1 278.308 2.200 20 5 CEBDMN Cc1ccnc(CN[C@H](C)Cc2ccc([N+](=O)[O-])cc2)n1 ZINC001173212088 815635379 /nfs/dbraw/zinc/63/53/79/815635379.db2.gz WPDMPXBRDCRRNT-GFCCVEGCSA-N 0 1 286.335 2.414 20 5 CEBDMN O=[N+]([O-])c1ccccc1CN1CCCC[C@@H]1c1nnc[nH]1 ZINC000121798375 365616424 /nfs/dbraw/zinc/61/64/24/365616424.db2.gz MYVYWZIXTVHWQQ-CYBMUJFWSA-N 0 1 287.323 2.440 20 5 CEBDMN C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ncccc1[O-] ZINC000449294873 282176302 /nfs/dbraw/zinc/17/63/02/282176302.db2.gz NVOLKEYILOQASN-LLVKDONJSA-N 0 1 287.319 2.416 20 5 CEBDMN O=C([O-])C[C@H]1CCC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000042163786 362063726 /nfs/dbraw/zinc/06/37/26/362063726.db2.gz SQFWWHMRBJYIMC-LLVKDONJSA-N 0 1 264.281 2.034 20 5 CEBDMN O=[N+]([O-])c1ccccc1C=CCNCc1n[nH]c(C2CC2)n1 ZINC000449406693 282223740 /nfs/dbraw/zinc/22/37/40/282223740.db2.gz ZMRYIFATUAUARL-HYXAFXHYSA-N 0 1 299.334 2.393 20 5 CEBDMN COCCc1cc(=O)n(-c2cc([N+](=O)[O-])ccc2C)[nH]1 ZINC000601936573 346932468 /nfs/dbraw/zinc/93/24/68/346932468.db2.gz USHHTROKSPVANS-UHFFFAOYSA-N 0 1 277.280 2.032 20 5 CEBDMN CN(CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C(C)(C)C ZINC000567811066 299093648 /nfs/dbraw/zinc/09/36/48/299093648.db2.gz QPQUOUQOXGCXKH-UHFFFAOYSA-N 0 1 291.351 2.214 20 5 CEBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@H]1c1cccs1 ZINC000044325253 343469779 /nfs/dbraw/zinc/46/97/79/343469779.db2.gz GCXNSSYTRAQEMQ-UTLUCORTSA-N 0 1 266.322 2.077 20 5 CEBDMN O=[N+]([O-])c1ccc(N2CCN(CC3CC3)CC2)s1 ZINC000064029710 343686459 /nfs/dbraw/zinc/68/64/59/343686459.db2.gz DHNFNTKFNSNYSD-UHFFFAOYSA-N 0 1 267.354 2.188 20 5 CEBDMN Cc1c(CNC(=O)[C@@H]2CCCCN2C)cccc1[N+](=O)[O-] ZINC000602148592 346982016 /nfs/dbraw/zinc/98/20/16/346982016.db2.gz ODHPKJFPYFPKJQ-AWEZNQCLSA-N 0 1 291.351 2.004 20 5 CEBDMN Cc1cc(NCC[N@H+](C)C(C)C)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000567977613 299103572 /nfs/dbraw/zinc/10/35/72/299103572.db2.gz GBXTTWISHQNHMV-UHFFFAOYSA-N 0 1 295.339 2.354 20 5 CEBDMN COC[C@@H]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000083207458 344075902 /nfs/dbraw/zinc/07/59/02/344075902.db2.gz APIMCNIXBPVPHI-SNVBAGLBSA-N 0 1 291.307 2.204 20 5 CEBDMN COc1cc(-c2nc([C@@H]3CCCN3)no2)ccc1[N+](=O)[O-] ZINC000164984110 344473254 /nfs/dbraw/zinc/47/32/54/344473254.db2.gz QGEMYAJAPXHNJT-VIFPVBQESA-N 0 1 290.279 2.078 20 5 CEBDMN O=[N+]([O-])c1ccc(-c2nc([C@@H]3CCCN3)no2)s1 ZINC000225424016 344545301 /nfs/dbraw/zinc/54/53/01/344545301.db2.gz ZYKDIRBNKHTASL-LURJTMIESA-N 0 1 266.282 2.131 20 5 CEBDMN CCC[C@@H](N[C@H]1CCCNC1=O)c1cccc([N+](=O)[O-])c1 ZINC000050394801 362417955 /nfs/dbraw/zinc/41/79/55/362417955.db2.gz PHBYFOBFFKJCJJ-KGLIPLIRSA-N 0 1 291.351 2.304 20 5 CEBDMN COCCCN(CCOC)Cc1ccccc1[N+](=O)[O-] ZINC000054364684 362532639 /nfs/dbraw/zinc/53/26/39/362532639.db2.gz BWRZRISJPWISBX-UHFFFAOYSA-N 0 1 282.340 2.080 20 5 CEBDMN Cn1cc(CSCc2cc(O)ccc2[N+](=O)[O-])cn1 ZINC000593199465 345453195 /nfs/dbraw/zinc/45/31/95/345453195.db2.gz XOOAJJRCJHLOLS-UHFFFAOYSA-N 0 1 279.321 2.467 20 5 CEBDMN CC[N@H+](Cc1cc([O-])ccc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000593069212 345432871 /nfs/dbraw/zinc/43/28/71/345432871.db2.gz HVJILYMEVKELLR-GFCCVEGCSA-N 0 1 280.324 2.301 20 5 CEBDMN CC[N@@H+](Cc1cc([O-])ccc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000593069212 345432872 /nfs/dbraw/zinc/43/28/72/345432872.db2.gz HVJILYMEVKELLR-GFCCVEGCSA-N 0 1 280.324 2.301 20 5 CEBDMN C[C@@H]1CN(C)[C@H](C)[C@@H](C)N1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000593188223 345450903 /nfs/dbraw/zinc/45/09/03/345450903.db2.gz ZALQNFVSFXXXKM-IJLUTSLNSA-N 0 1 291.351 2.148 20 5 CEBDMN C[C@@H]1CN(C)[C@H](C)[C@@H](C)N1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000593188146 345451070 /nfs/dbraw/zinc/45/10/70/345451070.db2.gz WNYUDZQCICGYJW-IJLUTSLNSA-N 0 1 291.351 2.148 20 5 CEBDMN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccncc1 ZINC000105565110 232194238 /nfs/dbraw/zinc/19/42/38/232194238.db2.gz FRRGRBRHPQQZCX-UHFFFAOYSA-N 0 1 293.304 2.099 20 5 CEBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CC[C@]2(CC2(F)F)C1 ZINC000593886136 345548337 /nfs/dbraw/zinc/54/83/37/345548337.db2.gz JTSZERMKCWMETA-LBPRGKRZSA-N 0 1 298.245 2.172 20 5 CEBDMN CCOc1ccc([N+](=O)[O-])cc1CN(C[C@@H](C)O)C1CC1 ZINC000594064175 345576919 /nfs/dbraw/zinc/57/69/19/345576919.db2.gz LCLXROZGLVYLPE-LLVKDONJSA-N 0 1 294.351 2.339 20 5 CEBDMN CC[C@H]1C[C@@H](NCc2ccccc2[N+](=O)[O-])CO1 ZINC000594926873 345705128 /nfs/dbraw/zinc/70/51/28/345705128.db2.gz XBJIJRCUAQXISA-NEPJUHHUSA-N 0 1 250.298 2.252 20 5 CEBDMN O=[N+]([O-])c1cccc(CN[C@H]2CCCn3nccc32)c1 ZINC000595017471 345728345 /nfs/dbraw/zinc/72/83/45/345728345.db2.gz VKIQCCRQIOQISM-ZDUSSCGKSA-N 0 1 272.308 2.416 20 5 CEBDMN Cc1noc(CN2CC[C@H](c3ccco3)C2)c1[N+](=O)[O-] ZINC000595319015 345761272 /nfs/dbraw/zinc/76/12/72/345761272.db2.gz XZNVOQMXBYFJHX-JTQLQIEISA-N 0 1 277.280 2.474 20 5 CEBDMN Cc1noc(CN2CC[C@H](C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000595405170 345775549 /nfs/dbraw/zinc/77/55/49/345775549.db2.gz UXLZSXOFPBHCLH-IUCAKERBSA-N 0 1 253.302 2.369 20 5 CEBDMN Cc1cc(NCCN2C[C@H]3CC[C@@H](C2)O3)c([N+](=O)[O-])s1 ZINC000596267130 345985938 /nfs/dbraw/zinc/98/59/38/345985938.db2.gz WVSIHNIDNIEAIL-PHIMTYICSA-N 0 1 297.380 2.240 20 5 CEBDMN CN(C[C@@H]1CCCN1C)c1c(Cl)cncc1[N+](=O)[O-] ZINC000596280014 345990079 /nfs/dbraw/zinc/99/00/79/345990079.db2.gz XVKXQIXRNKGMAG-VIFPVBQESA-N 0 1 284.747 2.174 20 5 CEBDMN CC(C)(C)N1CC[C@H]1CNc1ncc([N+](=O)[O-])cc1F ZINC000596308678 345995826 /nfs/dbraw/zinc/99/58/26/345995826.db2.gz KIBIVPALYPLXMO-VIFPVBQESA-N 0 1 282.319 2.414 20 5 CEBDMN C[C@@H](O)CCSCc1cc(O)ccc1[N+](=O)[O-] ZINC000596411015 346017320 /nfs/dbraw/zinc/01/73/20/346017320.db2.gz ZIGBBOCYBHUFRI-MRVPVSSYSA-N 0 1 257.311 2.305 20 5 CEBDMN O=[N+]([O-])c1ccccc1CN[C@H]1CO[C@H](C2CC2)C1 ZINC000597047904 346120063 /nfs/dbraw/zinc/12/00/63/346120063.db2.gz RXMWQVVWTWJIRA-OCCSQVGLSA-N 0 1 262.309 2.252 20 5 CEBDMN CN1CCC[C@@H]1CNc1c(F)cccc1[N+](=O)[O-] ZINC000336788123 365808402 /nfs/dbraw/zinc/80/84/02/365808402.db2.gz OAHDFVPEXNFIGX-SECBINFHSA-N 0 1 253.277 2.240 20 5 CEBDMN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)[C@H]1CC[N@H+](C)C1 ZINC000597665387 346212476 /nfs/dbraw/zinc/21/24/76/346212476.db2.gz HLFSXLFXNFARNL-NSHDSACASA-N 0 1 277.324 2.102 20 5 CEBDMN CCN(C(=O)c1ccc([N+](=O)[O-])s1)[C@@H]1CCN(CC)C1 ZINC000598042598 346273986 /nfs/dbraw/zinc/27/39/86/346273986.db2.gz QLDDBDDXLQEUSK-SNVBAGLBSA-N 0 1 297.380 2.213 20 5 CEBDMN C[C@H](CNC(=O)c1n[nH]cc1[N+](=O)[O-])C1CCCCC1 ZINC000598439607 346357536 /nfs/dbraw/zinc/35/75/36/346357536.db2.gz PMCRHAGGDRSXFS-SECBINFHSA-N 0 1 280.328 2.264 20 5 CEBDMN CN(Cc1ccc(Cl)cc1[N+](=O)[O-])C[C@H]1C[C@@H](O)C1 ZINC000599671905 346559649 /nfs/dbraw/zinc/55/96/49/346559649.db2.gz KRTFIGRYLFSRNX-WVSHTKLVSA-N 0 1 284.743 2.451 20 5 CEBDMN Cc1noc(CN[C@@]2(CO)CCCC(C)(C)C2)c1[N+](=O)[O-] ZINC000599593910 346542959 /nfs/dbraw/zinc/54/29/59/346542959.db2.gz GUVJMGRHZIHONP-AWEZNQCLSA-N 0 1 297.355 2.312 20 5 CEBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N(C1CC1)C1CC1 ZINC000600361335 346635451 /nfs/dbraw/zinc/63/54/51/346635451.db2.gz UKGTVFUSQYOQHX-UHFFFAOYSA-N 0 1 262.265 2.067 20 5 CEBDMN Cc1ccc(C[N@H+]2CC[C@@H](C(=O)[O-])[C@H](C)C2)cc1[N+](=O)[O-] ZINC000600800977 346692883 /nfs/dbraw/zinc/69/28/83/346692883.db2.gz OYJZIWWFFWCESF-DGCLKSJQSA-N 0 1 292.335 2.446 20 5 CEBDMN Cc1[nH]ncc1CN(C)c1ncc(Cl)cc1[N+](=O)[O-] ZINC000601181529 346779222 /nfs/dbraw/zinc/77/92/22/346779222.db2.gz MGWNYGPQKWMWNV-UHFFFAOYSA-N 0 1 281.703 2.311 20 5 CEBDMN CO[C@H](C)[C@H](C)NCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602629517 347112259 /nfs/dbraw/zinc/11/22/59/347112259.db2.gz KSANFPRTYXRWND-DTWKUNHWSA-N 0 1 279.296 2.249 20 5 CEBDMN CC(C)[C@H]1CN(c2ccc([N+](=O)[O-])s2)CCN1C ZINC000601262577 346804632 /nfs/dbraw/zinc/80/46/32/346804632.db2.gz MNALRAFJPWIDLT-SNVBAGLBSA-N 0 1 269.370 2.433 20 5 CEBDMN CO[C@@H](C)[C@@H](C)NCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602666800 347132334 /nfs/dbraw/zinc/13/23/34/347132334.db2.gz KSANFPRTYXRWND-BDAKNGLRSA-N 0 1 279.296 2.249 20 5 CEBDMN Cn1cc(CN2C[C@@H]3CCCC[C@@]32C)c([N+](=O)[O-])n1 ZINC000602916967 347246314 /nfs/dbraw/zinc/24/63/14/347246314.db2.gz JLTUAHRWZJICDK-AAEUAGOBSA-N 0 1 264.329 2.093 20 5 CEBDMN Cc1cc(N2C[C@H]3C[C@@]3(O)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000603425621 347367679 /nfs/dbraw/zinc/36/76/79/347367679.db2.gz WMDPLDNHNVOLAF-MEBBXXQBSA-N 0 1 285.303 2.022 20 5 CEBDMN CC(C)[C@@H]1CCN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000611430494 347778140 /nfs/dbraw/zinc/77/81/40/347778140.db2.gz UPYAJZQTBOWNQC-LBPRGKRZSA-N 0 1 288.307 2.342 20 5 CEBDMN CC(C)c1[nH]nc(C(=O)N2CCC[C@H]2C2CC2)c1[N+](=O)[O-] ZINC000610922110 347722159 /nfs/dbraw/zinc/72/21/59/347722159.db2.gz GXSCGHBUXNJDLB-JTQLQIEISA-N 0 1 292.339 2.456 20 5 CEBDMN C[C@@H]1COCCCN1CCOc1ccccc1[N+](=O)[O-] ZINC000610990911 347728485 /nfs/dbraw/zinc/72/84/85/347728485.db2.gz UOKXSYZRTKXVLX-GFCCVEGCSA-N 0 1 280.324 2.084 20 5 CEBDMN O=[N+]([O-])c1ccc2oc(CN3CCc4cn[nH]c4C3)nc2c1 ZINC000611008870 347732065 /nfs/dbraw/zinc/73/20/65/347732065.db2.gz MMKSQQBGFZWMDM-UHFFFAOYSA-N 0 1 299.290 2.017 20 5 CEBDMN COCC1(NCc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000611498151 347786443 /nfs/dbraw/zinc/78/64/43/347786443.db2.gz UGKAGLRDADOYMK-UHFFFAOYSA-N 0 1 254.261 2.003 20 5 CEBDMN CN1CCCC(C)(C)[C@H]1CNc1ncc([N+](=O)[O-])s1 ZINC000336924745 365952676 /nfs/dbraw/zinc/95/26/76/365952676.db2.gz KGDFNPPELVMVFI-SECBINFHSA-N 0 1 284.385 2.006 20 5 CEBDMN Cn1cnc([N+](=O)[O-])c1CN1CC(C)(C)[C@H]2CCC[C@@H]21 ZINC000339710140 215309331 /nfs/dbraw/zinc/30/93/31/215309331.db2.gz FZGNHHPEGIDVFP-QWRGUYRKSA-N 0 1 278.356 2.339 20 5 CEBDMN Cc1[nH]ncc1CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000111009923 186342038 /nfs/dbraw/zinc/34/20/38/186342038.db2.gz ZIYUWOKWVCJQDI-UHFFFAOYSA-N 0 1 294.698 2.210 20 5 CEBDMN Cc1c(CN2CCC(C)(O)CC2)cccc1[N+](=O)[O-] ZINC000122050908 187011947 /nfs/dbraw/zinc/01/19/47/187011947.db2.gz VBRGHFCOAGDWHL-UHFFFAOYSA-N 0 1 264.325 2.250 20 5 CEBDMN O=[N+]([O-])c1cc(CNC[C@H]2COC3(CCCC3)O2)cs1 ZINC000271447248 191143199 /nfs/dbraw/zinc/14/31/99/191143199.db2.gz RFVZWKJTFLAYAS-NSHDSACASA-N 0 1 298.364 2.432 20 5 CEBDMN CCC1(C)CN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000291874327 198092124 /nfs/dbraw/zinc/09/21/24/198092124.db2.gz LEGJLXBDSPLLBS-CYBMUJFWSA-N 0 1 294.351 2.066 20 5 CEBDMN C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC[C@H]1C ZINC000072874534 363176363 /nfs/dbraw/zinc/17/63/63/363176363.db2.gz QIUWFJUXQSGHPW-MNOVXSKESA-N 0 1 277.324 2.406 20 5 CEBDMN Cc1cc(C[C@@H](C)Nc2ccc([N+](=O)[O-])c(C)n2)[nH]n1 ZINC000133530546 187691226 /nfs/dbraw/zinc/69/12/26/187691226.db2.gz WERWLMOXXQSLCF-MRVPVSSYSA-N 0 1 275.312 2.373 20 5 CEBDMN CCC1(CNC(=O)c2n[nH]cc2[N+](=O)[O-])CCCC1 ZINC000154862275 188166568 /nfs/dbraw/zinc/16/65/68/188166568.db2.gz FCIYMNGEZGSWLU-UHFFFAOYSA-N 0 1 266.301 2.018 20 5 CEBDMN C[C@H](NCC(=O)NCC1CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000451102284 282892762 /nfs/dbraw/zinc/89/27/62/282892762.db2.gz CDJUQLNMQFBCKG-NSHDSACASA-N 0 1 291.351 2.162 20 5 CEBDMN CC[C@H]1CCC[C@@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000163684213 188613510 /nfs/dbraw/zinc/61/35/10/188613510.db2.gz MARKTNMPTIJPLO-DTWKUNHWSA-N 0 1 266.301 2.017 20 5 CEBDMN COc1cc(CN[C@H]2COCC2(C)C)c([N+](=O)[O-])cc1F ZINC000451813604 283114161 /nfs/dbraw/zinc/11/41/61/283114161.db2.gz RHTGNLYGYRFFSZ-ZDUSSCGKSA-N 0 1 298.314 2.257 20 5 CEBDMN CCOc1cc(C[N@@H+](C)C(C)(C)C(=O)[O-])ccc1[N+](=O)[O-] ZINC000570100893 299238761 /nfs/dbraw/zinc/23/87/61/299238761.db2.gz YWEZTMBCVHPURX-UHFFFAOYSA-N 0 1 296.323 2.289 20 5 CEBDMN Cc1c([C@@H](C)N[C@H]2CCCCNC2=O)cccc1[N+](=O)[O-] ZINC000134081224 366284820 /nfs/dbraw/zinc/28/48/20/366284820.db2.gz KMQFZTHMUIJHDM-YPMHNXCESA-N 0 1 291.351 2.223 20 5 CEBDMN CC(C)c1nc(CNCc2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000294784172 199181145 /nfs/dbraw/zinc/18/11/45/199181145.db2.gz LLRAZKHYFQXEFP-UHFFFAOYSA-N 0 1 275.312 2.126 20 5 CEBDMN C[C@]1(C(=O)[O-])CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000079488138 363607828 /nfs/dbraw/zinc/60/78/28/363607828.db2.gz NGZPUOPAOZSZFC-CYBMUJFWSA-N 0 1 264.281 2.034 20 5 CEBDMN CCc1nc(CNc2cc(C)ccc2[N+](=O)[O-])n[nH]1 ZINC000294925752 199253167 /nfs/dbraw/zinc/25/31/67/199253167.db2.gz KFJPIYFOZXUCKS-UHFFFAOYSA-N 0 1 261.285 2.196 20 5 CEBDMN C[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@H]1C(=O)[O-] ZINC000578626243 366523500 /nfs/dbraw/zinc/52/35/00/366523500.db2.gz GJBBLZKHIWEMIB-ZWNOBZJWSA-N 0 1 278.308 2.137 20 5 CEBDMN C[C@@H](NCc1cc(=O)c(O)co1)c1cccc([N+](=O)[O-])c1 ZINC000341585045 216022077 /nfs/dbraw/zinc/02/20/77/216022077.db2.gz KRJOPXAVIKQSRV-SECBINFHSA-N 0 1 290.275 2.104 20 5 CEBDMN Cc1nc(N[C@@H](C)c2n[nH]c(C(C)C)n2)ncc1[N+](=O)[O-] ZINC000297511527 200215031 /nfs/dbraw/zinc/21/50/31/200215031.db2.gz NUCDYSFGJCENMQ-QMMMGPOBSA-N 0 1 291.315 2.108 20 5 CEBDMN C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)CCCC(=O)[O-] ZINC000083662512 363782920 /nfs/dbraw/zinc/78/29/20/363782920.db2.gz MQHCDTQTBGTUDG-JTQLQIEISA-N 0 1 266.297 2.452 20 5 CEBDMN O=[N+]([O-])c1ccc(Cl)cc1CNCCn1ccnc1 ZINC000084439731 363809684 /nfs/dbraw/zinc/80/96/84/363809684.db2.gz RDAAZZIWHPBJAM-UHFFFAOYSA-N 0 1 280.715 2.235 20 5 CEBDMN CC[C@@H]1CCCN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356509322 370736886 /nfs/dbraw/zinc/73/68/86/370736886.db2.gz GTNMRSQLXCFTRM-SNVBAGLBSA-N 0 1 264.281 2.315 20 5 CEBDMN CC[C@H](C)CN(C)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356548255 370750973 /nfs/dbraw/zinc/75/09/73/370750973.db2.gz LDUMZFZZWFBTGT-VIFPVBQESA-N 0 1 266.297 2.419 20 5 CEBDMN COCC1CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC000112352754 364797047 /nfs/dbraw/zinc/79/70/47/364797047.db2.gz QHFYWTIVWWXDLV-UHFFFAOYSA-N 0 1 264.325 2.453 20 5 CEBDMN Cc1nc2ccc(NC(=O)c3ccc([N+](=O)[O-])n3C)cc2[nH]1 ZINC000340967633 367111067 /nfs/dbraw/zinc/11/10/67/367111067.db2.gz DZSFNQFHPRSKDW-UHFFFAOYSA-N 0 1 299.290 2.370 20 5 CEBDMN CC[C@@H]1CCC[C@@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000163684107 367258708 /nfs/dbraw/zinc/25/87/08/367258708.db2.gz MARKTNMPTIJPLO-RKDXNWHRSA-N 0 1 266.301 2.017 20 5 CEBDMN Cc1[nH]ncc1CNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000342895544 367586603 /nfs/dbraw/zinc/58/66/03/367586603.db2.gz BEKIINHBZIZXMO-UHFFFAOYSA-N 0 1 299.290 2.038 20 5 CEBDMN CN(Cc1ccc([N+](=O)[O-])cc1F)[C@H]1CC[C@H](O)CC1 ZINC000275925372 193165505 /nfs/dbraw/zinc/16/55/05/193165505.db2.gz WJQIKCHUCUUXRJ-AULYBMBSSA-N 0 1 282.315 2.469 20 5 CEBDMN CCc1[nH]nc(C(=O)N2CC[C@H](C(C)(C)C)C2)c1[N+](=O)[O-] ZINC000346069452 368537033 /nfs/dbraw/zinc/53/70/33/368537033.db2.gz BMNHWNRFNVJOIM-VIFPVBQESA-N 0 1 294.355 2.389 20 5 CEBDMN CCCN1CCN(c2cccc(OC)c2[N+](=O)[O-])CC1 ZINC000185231936 368772300 /nfs/dbraw/zinc/77/23/00/368772300.db2.gz UVHFBOOEFRTDCG-UHFFFAOYSA-N 0 1 279.340 2.135 20 5 CEBDMN CCN(C)C(=O)[C@H](C)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000188478746 369362331 /nfs/dbraw/zinc/36/23/31/369362331.db2.gz VPIWQBJTTPBFHC-QWRGUYRKSA-N 0 1 279.340 2.112 20 5 CEBDMN O=[N+]([O-])c1cccc(-c2noc([C@@H]3C[C@@H]3c3nc[nH]n3)n2)c1 ZINC000349902023 369444810 /nfs/dbraw/zinc/44/48/10/369444810.db2.gz HZULPDWMWGGTPM-VHSXEESVSA-N 0 1 298.262 2.034 20 5 CEBDMN C/C=C\C[C@@H](CO)NCc1ccc([N+](=O)[O-])cc1F ZINC000349791214 369402246 /nfs/dbraw/zinc/40/22/46/369402246.db2.gz OSRVRCGUFBFGGN-QUCGXOGASA-N 0 1 268.288 2.151 20 5 CEBDMN CCN1CCN(Cc2c(F)cc([N+](=O)[O-])cc2F)[C@@H](C)C1 ZINC000352671723 369829370 /nfs/dbraw/zinc/82/93/70/369829370.db2.gz JXTUEHGZJPHSLV-JTQLQIEISA-N 0 1 299.321 2.399 20 5 CEBDMN COc1cc(CN(C)C[C@H](C)OC)ccc1[N+](=O)[O-] ZINC000353205737 370071627 /nfs/dbraw/zinc/07/16/27/370071627.db2.gz PYFHICSIORCJLO-JTQLQIEISA-N 0 1 268.313 2.070 20 5 CEBDMN O=C(Nc1cccc2c[nH]nc21)c1cc(O)cc([N+](=O)[O-])c1 ZINC000355485995 370571926 /nfs/dbraw/zinc/57/19/26/370571926.db2.gz PARWTQAIFLNDRP-UHFFFAOYSA-N 0 1 298.258 2.429 20 5 CEBDMN O=[N+]([O-])c1ccc(F)cc1CN[C@@H]1CCO[C@H]1C1CC1 ZINC000236155735 370584361 /nfs/dbraw/zinc/58/43/61/370584361.db2.gz GIWOZPWGYBOKII-OCCSQVGLSA-N 0 1 280.299 2.391 20 5 CEBDMN O=[N+]([O-])c1ccc(CN2CCS[C@H]3COCC[C@H]32)cc1 ZINC000247421225 371105964 /nfs/dbraw/zinc/10/59/64/371105964.db2.gz YZTNHFZJWLBNNN-KGLIPLIRSA-N 0 1 294.376 2.301 20 5 CEBDMN C[C@@]1(O)CCN(C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000255290395 371570946 /nfs/dbraw/zinc/57/09/46/371570946.db2.gz ORMWGPSTEBJTDP-KXQLTZBTSA-N 0 1 262.309 2.065 20 5 CEBDMN COCCN1CCN(c2ccc([N+](=O)[O-])c(C)c2)C[C@@H]1C ZINC000266405829 372045960 /nfs/dbraw/zinc/04/59/60/372045960.db2.gz QBOQGLIOTQLSKP-ZDUSSCGKSA-N 0 1 293.367 2.060 20 5 CEBDMN C[C@@H]1CCCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000269104811 372342217 /nfs/dbraw/zinc/34/22/17/372342217.db2.gz AXMYOYJCRSTCJC-SECBINFHSA-N 0 1 264.281 2.173 20 5 CEBDMN CC[C@@H](C)N(OC)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000269195956 372373130 /nfs/dbraw/zinc/37/31/30/372373130.db2.gz KWECIUZMPNNEIY-MRVPVSSYSA-N 0 1 292.295 2.273 20 5 CEBDMN C[C@@H](O)C[C@@H]1CCCN1Cc1csc([N+](=O)[O-])c1 ZINC000269772566 372563084 /nfs/dbraw/zinc/56/30/84/372563084.db2.gz BUNSZCFBUDYVQJ-KOLCDFICSA-N 0 1 270.354 2.392 20 5 CEBDMN COc1ccc(CN[C@H](C)c2cn[nH]c2)cc1[N+](=O)[O-] ZINC000270232216 372710256 /nfs/dbraw/zinc/71/02/56/372710256.db2.gz QZIMSTJPDBSMOV-SECBINFHSA-N 0 1 276.296 2.177 20 5 CEBDMN COCC1(O)CCN([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000270353693 372753605 /nfs/dbraw/zinc/75/36/05/372753605.db2.gz ILPHLDQTUYFBDG-GFCCVEGCSA-N 0 1 294.351 2.129 20 5 CEBDMN CO[C@H]1CCN(C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000271153828 373145470 /nfs/dbraw/zinc/14/54/70/373145470.db2.gz ANSWWGOLZWWLCE-BPJJOFIESA-N 0 1 262.309 2.329 20 5 CEBDMN C[C@@H](Nc1ccc([N+](=O)[O-])c(OC(F)F)c1)c1nnc[nH]1 ZINC000272217899 373365454 /nfs/dbraw/zinc/36/54/54/373365454.db2.gz MYGQASUXTIIHSF-ZCFIWIBFSA-N 0 1 299.237 2.487 20 5 CEBDMN CN(C)C1CN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000272305572 373419992 /nfs/dbraw/zinc/41/99/92/373419992.db2.gz DZHYOGFEOFWJEJ-UHFFFAOYSA-N 0 1 298.730 2.026 20 5 CEBDMN CC[C@H](C)[C@@H](C)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272600555 373575109 /nfs/dbraw/zinc/57/51/09/373575109.db2.gz QTEPDGSNZGMCRT-DTWKUNHWSA-N 0 1 266.297 2.465 20 5 CEBDMN O=C(NCc1ccc(-c2ccncc2)cc1)[C@@H]1CC1[N+](=O)[O-] ZINC000372660517 374175455 /nfs/dbraw/zinc/17/54/55/374175455.db2.gz PQEAZRWNZXNFMN-HUUCEWRRSA-N 0 1 297.314 2.030 20 5 CEBDMN Cc1ccc(CN2CC([C@H]3CCOC3)C2)cc1[N+](=O)[O-] ZINC000373465393 374359064 /nfs/dbraw/zinc/35/90/64/374359064.db2.gz KVYOSGLPZBXJMT-ZDUSSCGKSA-N 0 1 276.336 2.372 20 5 CEBDMN O=C([C@H]1CC1[N+](=O)[O-])N1Cc2ccccc2C2(CCC2)C1 ZINC000376029430 374693450 /nfs/dbraw/zinc/69/34/50/374693450.db2.gz NRZPZTRMGFDWSQ-GXTWGEPZSA-N 0 1 286.331 2.116 20 5 CEBDMN CC1(C)CN(C(=O)[C@@H]2CC2[N+](=O)[O-])[C@H]1c1cccs1 ZINC000377097846 374789138 /nfs/dbraw/zinc/78/91/38/374789138.db2.gz FBOZHASXSWJHOM-KKZNHRDASA-N 0 1 280.349 2.323 20 5 CEBDMN CSCCONC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000279915689 375029415 /nfs/dbraw/zinc/02/94/15/375029415.db2.gz HBSJPVLRDPGQTQ-UHFFFAOYSA-N 0 1 298.364 2.283 20 5 CEBDMN Cn1cc2c(n1)CCC[C@@H]2NCc1cccc([N+](=O)[O-])c1 ZINC000280142178 375105732 /nfs/dbraw/zinc/10/57/32/375105732.db2.gz PRMYTPHXJYPCKK-AWEZNQCLSA-N 0 1 286.335 2.496 20 5 CEBDMN CC1(CCNC(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1 ZINC000280176459 375119671 /nfs/dbraw/zinc/11/96/71/375119671.db2.gz VITAARGQSVBFDA-UHFFFAOYSA-N 0 1 264.281 2.220 20 5 CEBDMN CC(C)[C@@H]1CN(C(=O)c2csc([N+](=O)[O-])c2)CCN1C ZINC000408359722 375460515 /nfs/dbraw/zinc/46/05/15/375460515.db2.gz VULWHJARPNWOLQ-NSHDSACASA-N 0 1 297.380 2.069 20 5 CEBDMN Cn1cnc([N+](=O)[O-])c1CN1CCC[C@@H]2CCC[C@@H]21 ZINC000408308459 375449397 /nfs/dbraw/zinc/44/93/97/375449397.db2.gz ITJSYKGXSREQDW-QWRGUYRKSA-N 0 1 264.329 2.093 20 5 CEBDMN Cc1nc([C@@H](C)Nc2ccc([N+](=O)[O-])cc2F)n[nH]1 ZINC000286305043 375905684 /nfs/dbraw/zinc/90/56/84/375905684.db2.gz HQXJNBSYYHCSOF-ZCFIWIBFSA-N 0 1 265.248 2.334 20 5 CEBDMN CON(CC(C)(C)C)C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000286450316 375957515 /nfs/dbraw/zinc/95/75/15/375957515.db2.gz JITYNAXQTQVRST-UHFFFAOYSA-N 0 1 298.343 2.491 20 5 CEBDMN O=C([O-])CCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000261845343 190044971 /nfs/dbraw/zinc/04/49/71/190044971.db2.gz ATRLPJNPKXSOJX-UHFFFAOYSA-N 0 1 278.308 2.424 20 5 CEBDMN O=C([O-])[C@@]12CCC[C@H]1C[N@@H+](Cc1ccccc1[N+](=O)[O-])C2 ZINC000262240401 190051113 /nfs/dbraw/zinc/05/11/13/190051113.db2.gz XXWYUONJBJHHCO-SWLSCSKDSA-N 0 1 290.319 2.282 20 5 CEBDMN CC[C@@H](CN1CCc2ccc([N+](=O)[O-])cc2C1)OC ZINC000419230914 376403674 /nfs/dbraw/zinc/40/36/74/376403674.db2.gz JIYFICIQKMMEQV-AWEZNQCLSA-N 0 1 264.325 2.378 20 5 CEBDMN O=[N+]([O-])c1cccc(Cl)c1COCCc1c[nH]nn1 ZINC000419054902 376381559 /nfs/dbraw/zinc/38/15/59/376381559.db2.gz MZVSAQLHTBMOCZ-UHFFFAOYSA-N 0 1 282.687 2.126 20 5 CEBDMN COc1ccc([N+](=O)[O-])cc1CN1CC[C@@H](C)C1 ZINC000263689084 190073281 /nfs/dbraw/zinc/07/32/81/190073281.db2.gz JMBDQWDCKSXNMA-SNVBAGLBSA-N 0 1 250.298 2.445 20 5 CEBDMN CC[C@@H](CNCc1ccc([N+](=O)[O-])cc1F)OC ZINC000311042216 376648947 /nfs/dbraw/zinc/64/89/47/376648947.db2.gz FEGIFYUDGWYHRE-NSHDSACASA-N 0 1 256.277 2.249 20 5 CEBDMN O=[N+]([O-])c1ccc(CNCCOCC(F)F)c(F)c1 ZINC000311556227 376674440 /nfs/dbraw/zinc/67/44/40/376674440.db2.gz JSMKKZOUTUFBJR-UHFFFAOYSA-N 0 1 278.230 2.105 20 5 CEBDMN O=[N+]([O-])c1ccc([O-])cc1C[N@@H+]1CC[C@@H](O)CC12CCC2 ZINC000420989683 376759994 /nfs/dbraw/zinc/75/99/94/376759994.db2.gz CSEPONCZNHCGCS-CYBMUJFWSA-N 0 1 292.335 2.180 20 5 CEBDMN O=[N+]([O-])c1ccc([O-])cc1C[N@H+](CCO)C1CCCCC1 ZINC000331186157 377319520 /nfs/dbraw/zinc/31/95/20/377319520.db2.gz NPMNEAFOPSFCHX-UHFFFAOYSA-N 0 1 294.351 2.427 20 5 CEBDMN CC(C)(O)[C@@H]1CCC[N@H+]1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000331200861 377324792 /nfs/dbraw/zinc/32/47/92/377324792.db2.gz NDUIAINSISATBX-ZDUSSCGKSA-N 0 1 280.324 2.036 20 5 CEBDMN COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCCC[C@H]1C(=O)[O-] ZINC000563724414 377286918 /nfs/dbraw/zinc/28/69/18/377286918.db2.gz QMBLVXQPJBFUIW-LBPRGKRZSA-N 0 1 294.307 2.043 20 5 CEBDMN CCC[C@H](C)C(=O)NCCNCc1ccccc1[N+](=O)[O-] ZINC000292822383 377298215 /nfs/dbraw/zinc/29/82/15/377298215.db2.gz XEBLIIFQGSPCNI-LBPRGKRZSA-N 0 1 293.367 2.237 20 5 CEBDMN CCCN(C(=O)c1n[nH]c(CC)c1[N+](=O)[O-])C(C)C ZINC000565208608 377606835 /nfs/dbraw/zinc/60/68/35/377606835.db2.gz GQEANFDDAIVOBA-UHFFFAOYSA-N 0 1 268.317 2.141 20 5 CEBDMN C[C@H](c1ccccc1[N+](=O)[O-])N(C)C1CC(O)C1 ZINC000332438787 377603149 /nfs/dbraw/zinc/60/31/49/377603149.db2.gz JHTIWTKOBUINCM-KPPDAEKUSA-N 0 1 250.298 2.111 20 5 CEBDMN CCc1[nH]nc(C(=O)N2CC[C@](C)(CC)C2)c1[N+](=O)[O-] ZINC000332733104 377686919 /nfs/dbraw/zinc/68/69/19/377686919.db2.gz VACXPFZHVGBVDH-ZDUSSCGKSA-N 0 1 280.328 2.143 20 5 CEBDMN CC1=CCCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000437938429 377874954 /nfs/dbraw/zinc/87/49/54/377874954.db2.gz HOUSRHPAQPASTQ-UHFFFAOYSA-N 0 1 286.291 2.263 20 5 CEBDMN Cc1nc(Nc2cnn(C(C)(C)C)c2)ncc1[N+](=O)[O-] ZINC000450291128 378343435 /nfs/dbraw/zinc/34/34/35/378343435.db2.gz XNUSFANMBXKJKA-UHFFFAOYSA-N 0 1 276.300 2.388 20 5 CEBDMN CC(C)c1nc([C@H](C)Nc2ccc([N+](=O)[O-])nc2)n[nH]1 ZINC000450411864 378403080 /nfs/dbraw/zinc/40/30/80/378403080.db2.gz OGYJGYHMMIBNPR-QMMMGPOBSA-N 0 1 276.300 2.404 20 5 CEBDMN C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@@H](C)C1 ZINC000299679632 379104481 /nfs/dbraw/zinc/10/44/81/379104481.db2.gz VAELHMOLQHHGRP-MNOVXSKESA-N 0 1 277.324 2.264 20 5 CEBDMN Cc1ccc(C[N@@H+]2CC[C@@H](C)[C@@H](C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000514602647 379130539 /nfs/dbraw/zinc/13/05/39/379130539.db2.gz IILPIPLZIGDPJR-MFKMUULPSA-N 0 1 292.335 2.446 20 5 CEBDMN CC[C@@H]1CC[C@H](C)N(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])C1 ZINC000456806312 379561107 /nfs/dbraw/zinc/56/11/07/379561107.db2.gz YASOGCHHSVKNTD-WCBMZHEXSA-N 0 1 280.328 2.277 20 5 CEBDMN CC[C@@H](NC(=O)[C@@H]1CCCN1C)c1cccc([N+](=O)[O-])c1 ZINC000267280759 190317639 /nfs/dbraw/zinc/31/76/39/190317639.db2.gz KSYYHVOUANBWAC-KGLIPLIRSA-N 0 1 291.351 2.256 20 5 CEBDMN C[C@@H]1CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C[C@H](C)S1 ZINC000543735775 380341952 /nfs/dbraw/zinc/34/19/52/380341952.db2.gz DGTIIBLVSCRGRV-DTORHVGOSA-N 0 1 296.348 2.266 20 5 CEBDMN COC(=O)[C@@H](C)CSCc1cc(O)ccc1[N+](=O)[O-] ZINC000412989224 394453069 /nfs/dbraw/zinc/45/30/69/394453069.db2.gz CAOCCXRSSCRECC-QMMMGPOBSA-N 0 1 285.321 2.343 20 5 CEBDMN CC(C)CN1CCN(c2sccc2[N+](=O)[O-])CC1 ZINC000302012553 394469948 /nfs/dbraw/zinc/46/99/48/394469948.db2.gz ZHABNAHZTVSTFH-UHFFFAOYSA-N 0 1 269.370 2.434 20 5 CEBDMN O=[N+]([O-])c1cccc2c1CCN(CCCCCO)C2 ZINC000305442332 394507637 /nfs/dbraw/zinc/50/76/37/394507637.db2.gz NMRATIYKJWDUPP-UHFFFAOYSA-N 0 1 264.325 2.116 20 5 CEBDMN CCc1nc([C@H](C)Nc2ncc([N+](=O)[O-])cc2Cl)n[nH]1 ZINC000270748304 394738963 /nfs/dbraw/zinc/73/89/63/394738963.db2.gz XKLJFUCBHMDOGP-LURJTMIESA-N 0 1 296.718 2.497 20 5 CEBDMN CC(C)c1ccc(C(=O)N2CCN[C@H](C)C2)cc1[N+](=O)[O-] ZINC000422832816 394818003 /nfs/dbraw/zinc/81/80/03/394818003.db2.gz GDSGPJCOJHPMRW-LLVKDONJSA-N 0 1 291.351 2.152 20 5 CEBDMN C[C@@H]1CSc2ccccc2CN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000364371300 394894699 /nfs/dbraw/zinc/89/46/99/394894699.db2.gz WITHHLIGPCQVPY-JLLWLGSASA-N 0 1 292.360 2.175 20 5 CEBDMN COC(=O)[C@@H](C)SCc1cc(O)ccc1[N+](=O)[O-] ZINC000436473603 395119297 /nfs/dbraw/zinc/11/92/97/395119297.db2.gz HWMMFNFPASMGER-SSDOTTSWSA-N 0 1 271.294 2.095 20 5 CEBDMN O=[N+]([O-])c1ccc(O)cc1Cn1nnc(-c2ccccc2)n1 ZINC000436476272 395119411 /nfs/dbraw/zinc/11/94/11/395119411.db2.gz XIHHMHSXFAGWMY-UHFFFAOYSA-N 0 1 297.274 2.002 20 5 CEBDMN C[C@@H]1CC[C@@H](NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000444480192 395433582 /nfs/dbraw/zinc/43/35/82/395433582.db2.gz JWZOEQWVCLPCPX-RKDXNWHRSA-N 0 1 288.307 2.390 20 5 CEBDMN CC(C)(C)N1CC[C@@H](NCc2cccc([N+](=O)[O-])c2)C1=O ZINC000566094997 395498749 /nfs/dbraw/zinc/49/87/49/395498749.db2.gz WDXRLPITGLYYPX-CYBMUJFWSA-N 0 1 291.351 2.084 20 5 CEBDMN CC1CCN(CCNc2ncc([N+](=O)[O-])cc2F)CC1 ZINC000573812017 395619760 /nfs/dbraw/zinc/61/97/60/395619760.db2.gz CNOWWQNHFKBJOJ-UHFFFAOYSA-N 0 1 282.319 2.273 20 5 CEBDMN CCC[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])C1CCCC1 ZINC000458329060 395644034 /nfs/dbraw/zinc/64/40/34/395644034.db2.gz BXNSGPGZYMVQNG-JTQLQIEISA-N 0 1 280.328 2.407 20 5 CEBDMN O=[N+]([O-])c1ccc(OCCN2CCOCC3(CC3)C2)cc1 ZINC000360099026 155216812 /nfs/dbraw/zinc/21/68/12/155216812.db2.gz QOFQKQCDFCZWHY-UHFFFAOYSA-N 0 1 292.335 2.086 20 5 CEBDMN COc1cc(N2C[C@H](C)N(C)[C@@H](C)C2)c([N+](=O)[O-])cc1F ZINC000338783242 286231267 /nfs/dbraw/zinc/23/12/67/286231267.db2.gz FZNHKMLYDGHJAW-UWVGGRQHSA-N 0 1 297.330 2.271 20 5 CEBDMN Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@H](C(=O)[O-])C[C@H](C)C1 ZINC000263062126 154012337 /nfs/dbraw/zinc/01/23/37/154012337.db2.gz MWNOIPJQEUFOQX-GXFFZTMASA-N 0 1 292.335 2.446 20 5 CEBDMN C[C@@H]1[C@H](C)N(C)CCN1Cc1csc([N+](=O)[O-])c1 ZINC000356981482 154367457 /nfs/dbraw/zinc/36/74/57/154367457.db2.gz QPKJOKOXRMFDME-VHSXEESVSA-N 0 1 269.370 2.181 20 5 CEBDMN Cc1ccc([C@@H]2CCCN2C(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC000363210068 156008807 /nfs/dbraw/zinc/00/88/07/156008807.db2.gz ABUFGGHSULYELF-RDBSUJKOSA-N 0 1 274.320 2.324 20 5 CEBDMN O=[N+]([O-])c1ccc(CN2CC[C@@](O)(C3CC3)C2)cc1F ZINC000368486811 156352892 /nfs/dbraw/zinc/35/28/92/156352892.db2.gz DKMAONUGKUKQAR-AWEZNQCLSA-N 0 1 280.299 2.081 20 5 CEBDMN COc1ccc(C[N@H+]2CCC23CCOCC3)cc1[N+](=O)[O-] ZINC000375719492 157132861 /nfs/dbraw/zinc/13/28/61/157132861.db2.gz OGHYRIMLUVFVNT-UHFFFAOYSA-N 0 1 292.335 2.358 20 5 CEBDMN COc1ccc(CN2CCC23CCOCC3)cc1[N+](=O)[O-] ZINC000375719492 157132864 /nfs/dbraw/zinc/13/28/64/157132864.db2.gz OGHYRIMLUVFVNT-UHFFFAOYSA-N 0 1 292.335 2.358 20 5 CEBDMN O=C([O-])[C@H]1CCC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000164685364 162337261 /nfs/dbraw/zinc/33/72/61/162337261.db2.gz IIQULBAZKJLGGL-VIFPVBQESA-N 0 1 282.271 2.031 20 5 CEBDMN O=C([O-])[C@H]1CCC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000164685364 162337263 /nfs/dbraw/zinc/33/72/63/162337263.db2.gz IIQULBAZKJLGGL-VIFPVBQESA-N 0 1 282.271 2.031 20 5 CEBDMN CC(C)[C@@H]1CN(C)CCN1Cc1csc([N+](=O)[O-])c1 ZINC000174699697 165114248 /nfs/dbraw/zinc/11/42/48/165114248.db2.gz BNHJIXBSOSDRBW-LBPRGKRZSA-N 0 1 283.397 2.428 20 5 CEBDMN CC(C)(NCc1cncnc1)c1ccc([N+](=O)[O-])cc1 ZINC000175984980 165151241 /nfs/dbraw/zinc/15/12/41/165151241.db2.gz JRHLAMQDOWMHBZ-UHFFFAOYSA-N 0 1 272.308 2.410 20 5 CEBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(c2ccccc2)CC1 ZINC000044466588 175177703 /nfs/dbraw/zinc/17/77/03/175177703.db2.gz PVSAMNWBKVRQPM-KGLIPLIRSA-N 0 1 274.320 2.058 20 5 CEBDMN O=[N+]([O-])c1ccc(CN2CCC[C@@H](n3ccnn3)C2)cc1 ZINC000425357910 264132580 /nfs/dbraw/zinc/13/25/80/264132580.db2.gz YTIAKODWGWVOGK-CQSZACIVSA-N 0 1 287.323 2.023 20 5 CEBDMN Cc1nc([C@@H](C)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000392380132 270340279 /nfs/dbraw/zinc/34/02/79/270340279.db2.gz RGZFKHJNKJPBJM-DTWKUNHWSA-N 0 1 275.312 2.433 20 5 CEBDMN Cc1nc([C@H](C)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000392380135 270340614 /nfs/dbraw/zinc/34/06/14/270340614.db2.gz RGZFKHJNKJPBJM-IUCAKERBSA-N 0 1 275.312 2.433 20 5 CEBDMN Cc1cc([N+](=O)[O-])ccc1C[NH2+]Cc1cc(C(=O)[O-])co1 ZINC000426715487 271231288 /nfs/dbraw/zinc/23/12/88/271231288.db2.gz RBTXFDJPBLPWQJ-UHFFFAOYSA-N 0 1 290.275 2.484 20 5 CEBDMN C[C@@H]1CN(C/C=C\c2ccccc2[N+](=O)[O-])CC[C@H]1O ZINC000428456883 271268980 /nfs/dbraw/zinc/26/89/80/271268980.db2.gz WFJMYKIVDPJDQM-HQWBGCBWSA-N 0 1 276.336 2.311 20 5 CEBDMN COc1cc([N+](=O)[O-])ccc1CN1CC[C@@H](C)[C@H](OC)C1 ZINC000430194215 271361507 /nfs/dbraw/zinc/36/15/07/271361507.db2.gz IKGHUJIARHXBTR-IAQYHMDHSA-N 0 1 294.351 2.460 20 5 CEBDMN COc1cc([N+](=O)[O-])ccc1CN(C)[C@H](CO)C(C)(C)C ZINC000430212755 271363041 /nfs/dbraw/zinc/36/30/41/271363041.db2.gz PRQLNFAHCPLMHW-CQSZACIVSA-N 0 1 296.367 2.442 20 5 CEBDMN CCN1CCN(c2c3ccccc3ncc2[N+](=O)[O-])CC1 ZINC000291678692 273665933 /nfs/dbraw/zinc/66/59/33/273665933.db2.gz RACWJGCPGIGIKF-UHFFFAOYSA-N 0 1 286.335 2.285 20 5 CEBDMN O=[N+]([O-])c1ccc(N2CCN(C3CC3)CC2)c2cccnc21 ZINC000413081598 275036293 /nfs/dbraw/zinc/03/62/93/275036293.db2.gz FXJGYOOWYZHMDA-UHFFFAOYSA-N 0 1 298.346 2.427 20 5 CEBDMN CC1(C)C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])c2ccccc2O1 ZINC000372016467 276147443 /nfs/dbraw/zinc/14/74/43/276147443.db2.gz FNUZUDLCIKGWSE-WOPDTQHZSA-N 0 1 290.319 2.070 20 5 CEBDMN CN1CC[C@@H]2CCN(c3ncc([N+](=O)[O-])cc3Cl)[C@H]2C1 ZINC000272232319 277147306 /nfs/dbraw/zinc/14/73/06/277147306.db2.gz UXCUSNBRWBDQEH-SKDRFNHKSA-N 0 1 296.758 2.174 20 5 CEBDMN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCCC1 ZINC000016445274 279593892 /nfs/dbraw/zinc/59/38/92/279593892.db2.gz PMJQJBIJTLWIEK-JTQLQIEISA-N 0 1 263.297 2.018 20 5 CEBDMN O=[N+]([O-])c1ccc(N[C@H]2CCCc3cn[nH]c32)nc1 ZINC000268833660 280368599 /nfs/dbraw/zinc/36/85/99/280368599.db2.gz NALOSCFZYSFSSF-JTQLQIEISA-N 0 1 259.269 2.202 20 5 CEBDMN Cc1cc(C)c([N+](=O)[O-])c(N2CCN(C)C[C@H]2C(C)C)n1 ZINC000359092527 280398666 /nfs/dbraw/zinc/39/86/66/280398666.db2.gz FWWMKUXICHUOKP-ZDUSSCGKSA-N 0 1 292.383 2.383 20 5 CEBDMN Cc1ccc([N+](=O)[O-])c(N2C[C@H](C)N(C)[C@@H](C)C2)c1 ZINC000338782427 281014631 /nfs/dbraw/zinc/01/46/31/281014631.db2.gz CPJIYOBTLJWRLB-RYUDHWBXSA-N 0 1 263.341 2.432 20 5 CEBDMN C[C@H](NCCOc1ccc([N+](=O)[O-])cc1)c1ccn(C)n1 ZINC000459798894 290245034 /nfs/dbraw/zinc/24/50/34/290245034.db2.gz UVRMKFCVLKBZFH-NSHDSACASA-N 0 1 290.323 2.058 20 5 CEBDMN O=C(Nc1ccc2nc[nH]c2c1)c1ccc([N+](=O)[O-])cn1 ZINC000531635087 298114191 /nfs/dbraw/zinc/11/41/91/298114191.db2.gz VCFQZBTYPJUBLA-UHFFFAOYSA-N 0 1 283.247 2.118 20 5 CEBDMN CCN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CCC1 ZINC000533436461 298164683 /nfs/dbraw/zinc/16/46/83/298164683.db2.gz HQYKCKINHUAAKJ-UHFFFAOYSA-N 0 1 277.324 2.068 20 5 CEBDMN O=[N+]([O-])c1cccc2c1CC[C@H]2NCc1n[nH]c(C2CC2)n1 ZINC000572975490 314134467 /nfs/dbraw/zinc/13/44/67/314134467.db2.gz WOWJCOSMMKOHFQ-GFCCVEGCSA-N 0 1 299.334 2.367 20 5 CEBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@H](C)C(=O)NC(C)C ZINC000576128804 314246207 /nfs/dbraw/zinc/24/62/07/314246207.db2.gz DJVFKBQFIVRAHG-VXGBXAGGSA-N 0 1 293.367 2.467 20 5 CEBDMN CCN(C)C(=O)[C@@H](C)NC/C=C/c1ccccc1[N+](=O)[O-] ZINC000188888772 520199621 /nfs/dbraw/zinc/19/96/21/520199621.db2.gz GOIGPHABQZZHAT-YPUOHESYSA-N 0 1 291.351 2.064 20 5 CEBDMN CCCc1[nH]nc(C(=O)N2CC[C@@H](C3CC3)C2)c1[N+](=O)[O-] ZINC000366693610 521327328 /nfs/dbraw/zinc/32/73/28/521327328.db2.gz YIZREJQHSHWFMK-SNVBAGLBSA-N 0 1 292.339 2.143 20 5 CEBDMN CCCN(CC)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000299355090 521605318 /nfs/dbraw/zinc/60/53/18/521605318.db2.gz HQGBUDRMRWQHNL-UHFFFAOYSA-N 0 1 291.351 2.216 20 5 CEBDMN COc1cc(CNc2nocc2C)cc([N+](=O)[O-])c1O ZINC000184039571 522498045 /nfs/dbraw/zinc/49/80/45/522498045.db2.gz LDINAGMPSAMBTA-UHFFFAOYSA-N 0 1 279.252 2.218 20 5 CEBDMN CC[C@@H]1CN(CCCOc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000055901341 523437522 /nfs/dbraw/zinc/43/75/22/523437522.db2.gz GCRLJQVVRKBHAO-CQSZACIVSA-N 0 1 294.351 2.475 20 5 CEBDMN C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)C[C@H](C)N1 ZINC000070076061 524527030 /nfs/dbraw/zinc/52/70/30/524527030.db2.gz MSUIBFDIPVKHMV-IUCAKERBSA-N 0 1 297.742 2.071 20 5 CEBDMN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCCOCC1 ZINC000363377521 526078497 /nfs/dbraw/zinc/07/84/97/526078497.db2.gz DBXHCUPEGAMAKP-NSHDSACASA-N 0 1 250.298 2.378 20 5 CEBDMN C[C@H]1C[N@@H+](Cc2ccccc2[N+](=O)[O-])CC[C@H]1NC(=O)[O-] ZINC000739187089 574898471 /nfs/dbraw/zinc/89/84/71/574898471.db2.gz HHOJLQYKAMYSFM-CMPLNLGQSA-N 0 1 293.323 2.073 20 5 CEBDMN CCc1cc(CNC(=O)c2cc(C)ccc2[N+](=O)[O-])n[nH]1 ZINC000742074279 575006215 /nfs/dbraw/zinc/00/62/15/575006215.db2.gz QHZWZDSFKJLPFU-UHFFFAOYSA-N 0 1 288.307 2.119 20 5 CEBDMN O=C(OC[C@@H]1Cc2ccccc2O1)c1ccc([N+](=O)[O-])[nH]1 ZINC000753574954 575330831 /nfs/dbraw/zinc/33/08/31/575330831.db2.gz KYLJULFUJWMMBR-JTQLQIEISA-N 0 1 288.259 2.083 20 5 CEBDMN C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](NC(=O)[O-])C1 ZINC000825638024 604036182 /nfs/dbraw/zinc/03/61/82/604036182.db2.gz JCONEZHBSUBVIQ-GHMZBOCLSA-N 0 1 293.323 2.388 20 5 CEBDMN C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](NC(=O)[O-])C1 ZINC000825638024 604036186 /nfs/dbraw/zinc/03/61/86/604036186.db2.gz JCONEZHBSUBVIQ-GHMZBOCLSA-N 0 1 293.323 2.388 20 5 CEBDMN Cc1csc(CNC[C@H](O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000096658587 623499275 /nfs/dbraw/zinc/49/92/75/623499275.db2.gz BSDDPXFFUVFPAX-LBPRGKRZSA-N 0 1 293.348 2.183 20 5 CEBDMN COc1c(O)ccc(CN2C[C@@H]3[C@H](C2)C3(C)C)c1[N+](=O)[O-] ZINC000892113770 624328141 /nfs/dbraw/zinc/32/81/41/624328141.db2.gz HUKKANBFINRWJK-PHIMTYICSA-N 0 1 292.335 2.397 20 5 CEBDMN O=[N+]([O-])c1ccc(CN2CCC[C@H](CO)CC2)cc1F ZINC000293216226 627396515 /nfs/dbraw/zinc/39/65/15/627396515.db2.gz RKYWDFDQJOHNBZ-NSHDSACASA-N 0 1 282.315 2.328 20 5 CEBDMN C[C@@H]1c2ccc(F)cc2C[C@H](C)N1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840408011 634597606 /nfs/dbraw/zinc/59/76/06/634597606.db2.gz AHJPUZIWAIMKDF-NYHSCFHFSA-N 0 1 292.310 2.325 20 5 CEBDMN O=C(OCc1cc2nc(Cl)ccc2o1)[C@@H]1CC1[N+](=O)[O-] ZINC000821129465 634635687 /nfs/dbraw/zinc/63/56/87/634635687.db2.gz HIFSPMSVBYICAM-VXNVDRBHSA-N 0 1 296.666 2.190 20 5 CEBDMN CCO[C@@H]1C[C@H](N[C@H](C)c2ccccc2[N+](=O)[O-])[C@H]1OC ZINC000893280385 628236109 /nfs/dbraw/zinc/23/61/09/628236109.db2.gz WUXRSZRIUHMAEB-DZGBDDFRSA-N 0 1 294.351 2.438 20 5 CEBDMN Cc1nn(CN2C[C@H](C)[C@@H](C)[C@H]2C)c(C)c1[N+](=O)[O-] ZINC000841693220 628923931 /nfs/dbraw/zinc/92/39/31/628923931.db2.gz UBPFATMSPKPRIP-IQJOONFLSA-N 0 1 266.345 2.342 20 5 CEBDMN O=C(O[C@@H]1c2ccccc2CC[C@@H]1F)[C@@H]1CC1[N+](=O)[O-] ZINC000893726284 628992099 /nfs/dbraw/zinc/99/20/99/628992099.db2.gz WDCKJKXFNTUJLH-YVECIDJPSA-N 0 1 279.267 2.220 20 5 CEBDMN Cc1ncoc1CNCCOc1ccc([N+](=O)[O-])cc1 ZINC000894229824 629240738 /nfs/dbraw/zinc/24/07/38/629240738.db2.gz YTRSYJJADXPZLT-UHFFFAOYSA-N 0 1 277.280 2.060 20 5 CEBDMN Cc1cc(F)cc(-c2nc(C3(N)CCC3)no2)c1[N+](=O)[O-] ZINC000261825423 629258981 /nfs/dbraw/zinc/25/89/81/629258981.db2.gz IRZCILABWUMXLI-UHFFFAOYSA-N 0 1 292.270 2.430 20 5 CEBDMN Cc1ccc(C[N@@H+]2C[C@@H](C)[C@H](CC(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000902556839 634721908 /nfs/dbraw/zinc/72/19/08/634721908.db2.gz PWYNREJLEXCNNL-DGCLKSJQSA-N 0 1 292.335 2.446 20 5 CEBDMN O=C(OCc1csc(-c2ccoc2)n1)[C@@H]1CC1[N+](=O)[O-] ZINC000840670607 629290827 /nfs/dbraw/zinc/29/08/27/629290827.db2.gz JJJMMHOXJINQLH-NXEZZACHSA-N 0 1 294.288 2.112 20 5 CEBDMN O=C(OCCSCc1ccccc1)[C@@H]1CC1[N+](=O)[O-] ZINC000840673470 629357846 /nfs/dbraw/zinc/35/78/46/629357846.db2.gz OTVYZWLGCNRBDN-VXGBXAGGSA-N 0 1 281.333 2.128 20 5 CEBDMN O=C(Oc1ccc(F)c(C(F)(F)F)c1)[C@@H]1CC1[N+](=O)[O-] ZINC000841194907 629414583 /nfs/dbraw/zinc/41/45/83/629414583.db2.gz SMIJWDOGDYIAFH-HZGVNTEJSA-N 0 1 293.172 2.415 20 5 CEBDMN COc1c(O)ccc(C[N@@H+](C)CCCF)c1[N+](=O)[O-] ZINC000896069217 630456882 /nfs/dbraw/zinc/45/68/82/630456882.db2.gz BZMWRRLFPADYCS-UHFFFAOYSA-N 0 1 272.276 2.100 20 5 CEBDMN COc1c(O)ccc(CN(C)CCCF)c1[N+](=O)[O-] ZINC000896069217 630456885 /nfs/dbraw/zinc/45/68/85/630456885.db2.gz BZMWRRLFPADYCS-UHFFFAOYSA-N 0 1 272.276 2.100 20 5 CEBDMN O=[N+]([O-])c1ccsc1NC[C@H]1CCN1C1CCOCC1 ZINC000896524962 630589385 /nfs/dbraw/zinc/58/93/85/630589385.db2.gz ZWCKPAKFSJXYNU-LLVKDONJSA-N 0 1 297.380 2.322 20 5 CEBDMN CC(C)c1ccc(C(=O)Nc2c[nH]nn2)cc1[N+](=O)[O-] ZINC000807922348 631888202 /nfs/dbraw/zinc/88/82/02/631888202.db2.gz DPEQYLIQOWXNQZ-UHFFFAOYSA-N 0 1 275.268 2.089 20 5 CEBDMN CC(C)[C@@H](C(=O)OCc1ccccc1[N+](=O)[O-])N(C)C ZINC000787963009 632355329 /nfs/dbraw/zinc/35/53/29/632355329.db2.gz TUQJSZKHUJEKBB-ZDUSSCGKSA-N 0 1 280.324 2.224 20 5 CEBDMN COc1cc(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)on1 ZINC000813242589 632654107 /nfs/dbraw/zinc/65/41/07/632654107.db2.gz SSVOJLHYQYIYFD-UHFFFAOYSA-N 0 1 297.654 2.497 20 5 CEBDMN CC(C)N1CCC[C@H]1C(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000901715588 634272986 /nfs/dbraw/zinc/27/29/86/634272986.db2.gz RWGGGGPLROTRAA-AWEZNQCLSA-N 0 1 291.351 2.430 20 5 CEBDMN C[C@@H](NC1CC(CC(N)=O)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000903253914 635030380 /nfs/dbraw/zinc/03/03/80/635030380.db2.gz OYOFFFQFZUBZOD-XNWIYYODSA-N 0 1 295.314 2.039 20 5 CEBDMN C[C@@H]1CCN[C@H](c2nc(-c3ccc([N+](=O)[O-])o3)no2)C1 ZINC000823269687 635119472 /nfs/dbraw/zinc/11/94/72/635119472.db2.gz JVJQXRCALFRLPT-SFYZADRCSA-N 0 1 278.268 2.298 20 5 CEBDMN O=C([O-])[C@@H]1C[C@H]1C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000903886924 635327676 /nfs/dbraw/zinc/32/76/76/635327676.db2.gz KLIXBBCMZGEMIZ-SMDDNHRTSA-N 0 1 290.319 2.280 20 5 CEBDMN O=C([O-])[C@]12C[C@H]1CCC[N@H+]2Cc1cccc([N+](=O)[O-])c1 ZINC000903936466 635360989 /nfs/dbraw/zinc/36/09/89/635360989.db2.gz LSRQSPHZNFHJFQ-RISCZKNCSA-N 0 1 276.292 2.034 20 5 CEBDMN CC(C)NCc1cn([C@@H](C)c2ccccc2[N+](=O)[O-])nn1 ZINC000905800413 636465732 /nfs/dbraw/zinc/46/57/32/636465732.db2.gz WMCOXEGBPYQLFG-NSHDSACASA-N 0 1 289.339 2.294 20 5 CEBDMN CCCOc1ccc([C@@H](C)NCC[N+](=O)[O-])cc1OC ZINC000930202562 636817536 /nfs/dbraw/zinc/81/75/36/636817536.db2.gz XGLZETPFQADINA-LLVKDONJSA-N 0 1 282.340 2.411 20 5 CEBDMN CCCc1[nH]nc(C(=O)N(C)C[Si](C)(C)C)c1[N+](=O)[O-] ZINC000911733210 638397102 /nfs/dbraw/zinc/39/71/02/638397102.db2.gz WTTANCJUJONRCO-UHFFFAOYSA-N 0 1 298.419 2.220 20 5 CEBDMN CSC[C@@H](C)C(=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837512219 639261596 /nfs/dbraw/zinc/26/15/96/639261596.db2.gz BQPHTOOBDYJJGI-MRVPVSSYSA-N 0 1 285.321 2.343 20 5 CEBDMN CC(C)[C@@H](N)c1noc(-c2ccc([N+](=O)[O-])s2)n1 ZINC000225434063 639497739 /nfs/dbraw/zinc/49/77/39/639497739.db2.gz RMTMQWVHLGVEPZ-MRVPVSSYSA-N 0 1 268.298 2.362 20 5 CEBDMN O=C(OCc1cc2ccccc2o1)[C@@H]1CC1[N+](=O)[O-] ZINC000840670625 639520998 /nfs/dbraw/zinc/52/09/98/639520998.db2.gz JYVIYGABKVLKIN-GHMZBOCLSA-N 0 1 261.233 2.141 20 5 CEBDMN C[C@@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])c1cc(F)ccc1F ZINC000840672278 639521117 /nfs/dbraw/zinc/52/11/17/639521117.db2.gz HJMWHBVYCPCUJP-KNBVPPQFSA-N 0 1 271.219 2.234 20 5 CEBDMN CC(=O)c1ccc(Cl)c(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 ZINC000841151747 639691855 /nfs/dbraw/zinc/69/18/55/639691855.db2.gz ZHYWXCPEIFIMDX-LDYMZIIASA-N 0 1 282.683 2.146 20 5 CEBDMN C[C@H](CCCC(F)(F)F)OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000842338744 640020938 /nfs/dbraw/zinc/02/09/38/640020938.db2.gz UEZKSKDAYORKJM-BWZBUEFSSA-N 0 1 269.219 2.316 20 5 CEBDMN CC(C)c1[nH]nc(-c2nc([C@@H](N)C(C)C)no2)c1[N+](=O)[O-] ZINC000843151303 640309879 /nfs/dbraw/zinc/30/98/79/640309879.db2.gz XQLXRHVBXKGHED-ZETCQYMHSA-N 0 1 294.315 2.147 20 5 CEBDMN CCN1C[C@H](CN[C@H](C)c2cccc([N+](=O)[O-])c2)OC1=O ZINC000846845420 641451081 /nfs/dbraw/zinc/45/10/81/641451081.db2.gz OAQGWGTVKITQBA-MFKMUULPSA-N 0 1 293.323 2.086 20 5 CEBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@H]1CC1CCCC1 ZINC000848355957 641968797 /nfs/dbraw/zinc/96/87/97/641968797.db2.gz VXDVQEBYTGBPMB-YNEHKIRRSA-N 0 1 266.341 2.223 20 5 CEBDMN O=[N+]([O-])c1cccc2c1CC[C@H]2NC[C@H](O)C(F)(F)F ZINC000848524687 642032572 /nfs/dbraw/zinc/03/25/72/642032572.db2.gz VPABRHPHRMNNMJ-KOLCDFICSA-N 0 1 290.241 2.095 20 5 CEBDMN CN[C@@H](C)c1nc(-c2ccc([N+](=O)[O-])cc2C)no1 ZINC000848621559 642077316 /nfs/dbraw/zinc/07/73/16/642077316.db2.gz NBZGDZNCSRFHKU-QMMMGPOBSA-N 0 1 262.269 2.234 20 5 CEBDMN COC(OC)[C@H](C)NCc1c(C)ccc([N+](=O)[O-])c1C ZINC000922312771 643021521 /nfs/dbraw/zinc/02/15/21/643021521.db2.gz AZKWVGCDEBZJMP-NSHDSACASA-N 0 1 282.340 2.309 20 5 CEBDMN C[C@H](O)[C@H]1CCCN1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000852560685 643473254 /nfs/dbraw/zinc/47/32/54/643473254.db2.gz BLVQNHNHFUGKBY-JOYOIKCWSA-N 0 1 268.288 2.079 20 5 CEBDMN CC1(C)C[C@@H](O)CN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000877752384 650895935 /nfs/dbraw/zinc/89/59/35/650895935.db2.gz DQVDVVCOEPVOCG-GFCCVEGCSA-N 0 1 264.325 2.188 20 5 CEBDMN O=C(N[C@@H]1CC[C@H]2CCCC[C@@H]2C1)[C@@H]1CC1[N+](=O)[O-] ZINC000839471456 644237320 /nfs/dbraw/zinc/23/73/20/644237320.db2.gz WFNBFYCDMMZCKL-SYLRKERUSA-N 0 1 266.341 2.127 20 5 CEBDMN C[C@@H](c1c(F)cccc1F)N(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839509531 644245686 /nfs/dbraw/zinc/24/56/86/644245686.db2.gz RJKPBXOMYIZFGP-VAOFZXAKSA-N 0 1 284.262 2.149 20 5 CEBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@@H](C2CCCCC2)C1 ZINC000856303037 644633414 /nfs/dbraw/zinc/63/34/14/644633414.db2.gz ARSLTHHZKLNOAS-MGPQQGTHSA-N 0 1 280.368 2.471 20 5 CEBDMN CC[N@H+]1CC[C@H]1CNC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000877902504 650942984 /nfs/dbraw/zinc/94/29/84/650942984.db2.gz BTIMOPRIJWBSFW-LBPRGKRZSA-N 0 1 292.339 2.119 20 5 CEBDMN CCN1CC[C@H]1CNC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000877902504 650942987 /nfs/dbraw/zinc/94/29/87/650942987.db2.gz BTIMOPRIJWBSFW-LBPRGKRZSA-N 0 1 292.339 2.119 20 5 CEBDMN O=C(Nc1ccc(OC2CCCC2)nc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839629864 644759945 /nfs/dbraw/zinc/75/99/45/644759945.db2.gz PBAORXXNOAJAJM-VXGBXAGGSA-N 0 1 291.307 2.007 20 5 CEBDMN O=C(N[C@@H]1CCC[C@@H](c2ccccc2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000839735945 644786705 /nfs/dbraw/zinc/78/67/05/644786705.db2.gz CMVSLZQZTQAHGY-KBUPBQIOSA-N 0 1 288.347 2.494 20 5 CEBDMN COCC[C@H](OC(=O)c1ccc([N+](=O)[O-])[nH]1)C(C)C ZINC000757980175 644866995 /nfs/dbraw/zinc/86/69/95/644866995.db2.gz ITIKQRAJWMWXFC-JTQLQIEISA-N 0 1 270.285 2.141 20 5 CEBDMN CCN1CCCN(c2cccc([N+](=O)[O-])c2C(C)=O)CC1 ZINC000763203187 645514723 /nfs/dbraw/zinc/51/47/23/645514723.db2.gz LIZUSKRSFYXMCW-UHFFFAOYSA-N 0 1 291.351 2.329 20 5 CEBDMN O=C(OCCN1CCCCC1)c1ccc([N+](=O)[O-])c(F)c1 ZINC000770373042 646384055 /nfs/dbraw/zinc/38/40/55/646384055.db2.gz YEXUNRUDABOEES-UHFFFAOYSA-N 0 1 296.298 2.377 20 5 CEBDMN O=C(Nc1cccc(C2CCOCC2)c1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000862977971 646609891 /nfs/dbraw/zinc/60/98/91/646609891.db2.gz BXVDKPBGHAARGH-ZIAGYGMSSA-N 0 1 290.319 2.184 20 5 CEBDMN CN(Cc1nnc[nH]1)c1ccc([N+](=O)[O-])cc1C(F)F ZINC000865548376 647354108 /nfs/dbraw/zinc/35/41/08/647354108.db2.gz GKEXPSUNDPXVRX-UHFFFAOYSA-N 0 1 283.238 2.287 20 5 CEBDMN O=C(Nc1n[nH]c2ccccc21)c1cc(O)cc([N+](=O)[O-])c1 ZINC000780341487 647419457 /nfs/dbraw/zinc/41/94/57/647419457.db2.gz NMKWTVUHLUHRCH-UHFFFAOYSA-N 0 1 298.258 2.429 20 5 CEBDMN C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])NCc1cocn1 ZINC000866319880 647735127 /nfs/dbraw/zinc/73/51/27/647735127.db2.gz CVTFWDGLZBSSEF-SECBINFHSA-N 0 1 279.271 2.443 20 5 CEBDMN CC[C@H](C)[C@H](C)NC(=O)[C@@](C)(N)c1cccc([N+](=O)[O-])c1 ZINC000867942747 647996484 /nfs/dbraw/zinc/99/64/84/647996484.db2.gz VXTJPPRPXVGEET-PGUXBMHVSA-N 0 1 293.367 2.320 20 5 CEBDMN C[C@H]1C[C@H](c2ccc(F)cc2)CN1CC[N+](=O)[O-] ZINC000791052942 648476262 /nfs/dbraw/zinc/47/62/62/648476262.db2.gz PTLYRWMCGBEUGN-JQWIXIFHSA-N 0 1 252.289 2.280 20 5 CEBDMN C[C@@H](O)CCN[C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872036098 649249042 /nfs/dbraw/zinc/24/90/42/649249042.db2.gz RVEQONTWHRJVEY-BDAKNGLRSA-N 0 1 256.277 2.155 20 5 CEBDMN CNC(=O)C(C)(C)CN[C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872053423 649255654 /nfs/dbraw/zinc/25/56/54/649255654.db2.gz KCKIILYTHHPWAZ-SECBINFHSA-N 0 1 297.330 2.157 20 5 CEBDMN C[C@H](NCCc1ccn(C)n1)c1c(F)cccc1[N+](=O)[O-] ZINC000872063379 649259532 /nfs/dbraw/zinc/25/95/32/649259532.db2.gz WCBNUIPUJQTSHT-JTQLQIEISA-N 0 1 292.314 2.361 20 5 CEBDMN COc1ccc([N+](=O)[O-])cc1CN1CC[C@H](CF)C1 ZINC000880292238 651415879 /nfs/dbraw/zinc/41/58/79/651415879.db2.gz VYTFJZFVVNQVRP-SNVBAGLBSA-N 0 1 268.288 2.395 20 5 CEBDMN CSCc1n[nH]c(CNc2ccsc2[N+](=O)[O-])n1 ZINC000884694323 652968053 /nfs/dbraw/zinc/96/80/53/652968053.db2.gz JLSLACWWFHAXMN-UHFFFAOYSA-N 0 1 285.354 2.250 20 5 CEBDMN CSCc1nnc(CNc2ccsc2[N+](=O)[O-])[nH]1 ZINC000884694323 652968054 /nfs/dbraw/zinc/96/80/54/652968054.db2.gz JLSLACWWFHAXMN-UHFFFAOYSA-N 0 1 285.354 2.250 20 5 CEBDMN O=C(Oc1cnc2ccc(Cl)cc2c1)[C@@H]1CC1[N+](=O)[O-] ZINC001128950776 809611946 /nfs/dbraw/zinc/61/19/46/809611946.db2.gz DCQNNEYAVBHAFT-ZYHUDNBSSA-N 0 1 292.678 2.459 20 5 CEBDMN CS[C@H]1CC[C@H](N(C)Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC001119249277 815079664 /nfs/dbraw/zinc/07/96/64/815079664.db2.gz AUNUFBLPBCSDET-QWRGUYRKSA-N 0 1 284.385 2.044 20 5 CEBDMN C[C@@H]1CN(C)[C@@H](C)CN1c1ccc([N+](=O)[O-])cc1F ZINC000118274779 810734092 /nfs/dbraw/zinc/73/40/92/810734092.db2.gz KHHOSJHPPXLLPM-VHSXEESVSA-N 0 1 267.304 2.263 20 5 CEBDMN CN(CC(=O)c1ccccc1)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169035806 811346141 /nfs/dbraw/zinc/34/61/41/811346141.db2.gz CJVSZTQVVCVOKC-TZMCWYRMSA-N 0 1 276.336 2.247 20 5 CEBDMN CC1(C)C[C@@H](COC(=O)c2ccc([N+](=O)[O-])[nH]2)CCO1 ZINC001123375620 815511422 /nfs/dbraw/zinc/51/14/22/815511422.db2.gz LRDFXTJVHFKEDT-VIFPVBQESA-N 0 1 282.296 2.285 20 5 CEBDMN O=C(Cc1ccc([N+](=O)[O-])cc1)NOc1ccc(F)cc1 ZINC001146543317 814295713 /nfs/dbraw/zinc/29/57/13/814295713.db2.gz VUJWQRJTEYKBBF-UHFFFAOYSA-N 0 1 290.250 2.387 20 5 CEBDMN CCOc1cccc(NC[C@@H]2CCN2C)c1[N+](=O)[O-] ZINC000712547265 814766038 /nfs/dbraw/zinc/76/60/38/814766038.db2.gz HJOWEJAKEUUCEL-JTQLQIEISA-N 0 1 265.313 2.110 20 5 CEBDMN C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ncccc1[O-] ZINC001173233182 815632975 /nfs/dbraw/zinc/63/29/75/815632975.db2.gz HJFUXUKUFDGZRQ-LLVKDONJSA-N 0 1 287.319 2.416 20 5 CEBDMN O=[N+]([O-])c1ccc(F)c(Nc2ccnc(CO)c2)c1 ZINC001175734469 816271841 /nfs/dbraw/zinc/27/18/41/816271841.db2.gz QETHXDQFMIIRPT-UHFFFAOYSA-N 0 1 263.228 2.365 20 5 CEBDMN O=C([C@@H]1CC1[N+](=O)[O-])N(CCc1ccc(F)cc1)C1CC1 ZINC000839703704 816576557 /nfs/dbraw/zinc/57/65/57/816576557.db2.gz IKNWVIUUISIQQZ-ZIAGYGMSSA-N 0 1 292.310 2.024 20 5 CEBDMN CC[C@@H](NCC(=O)NC(C)C)c1cccc([N+](=O)[O-])c1 ZINC000036781541 361857730 /nfs/dbraw/zinc/85/77/30/361857730.db2.gz BTFPEPIHCSCGHF-CYBMUJFWSA-N 0 1 279.340 2.160 20 5 CEBDMN Cc1[nH]ncc1CNc1ccc([N+](=O)[O-])cc1F ZINC000038011995 361980193 /nfs/dbraw/zinc/98/01/93/361980193.db2.gz BLTCEYTYKHAJKQ-UHFFFAOYSA-N 0 1 250.233 2.378 20 5 CEBDMN C[C@@H](F)CCN1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000351845997 136381271 /nfs/dbraw/zinc/38/12/71/136381271.db2.gz YDSJYRFPAMCILT-GFCCVEGCSA-N 0 1 281.331 2.465 20 5 CEBDMN C[C@@H]1CCCCN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000047454615 343515973 /nfs/dbraw/zinc/51/59/73/343515973.db2.gz KVSNHUSLPZUBQE-SECBINFHSA-N 0 1 288.307 2.486 20 5 CEBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(C)CC1CC1 ZINC000049238108 343536229 /nfs/dbraw/zinc/53/62/29/343536229.db2.gz NTFWKHFDGSBWAR-UHFFFAOYSA-N 0 1 277.324 2.184 20 5 CEBDMN C[C@@H](NCCn1cccn1)c1ccccc1[N+](=O)[O-] ZINC000049075134 362333008 /nfs/dbraw/zinc/33/30/08/362333008.db2.gz WEUFUVGQRBIUTB-LLVKDONJSA-N 0 1 260.297 2.142 20 5 CEBDMN O=[N+]([O-])c1cccc(CN[C@H]2c3ccccc3C[C@@H]2O)c1 ZINC000085334241 344094592 /nfs/dbraw/zinc/09/45/92/344094592.db2.gz DDVJJLGMLWMWPW-HOTGVXAUSA-N 0 1 284.315 2.343 20 5 CEBDMN C[C@H](O)[C@@H]1CCCC[N@H+]1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000092971216 344208971 /nfs/dbraw/zinc/20/89/71/344208971.db2.gz XNKLHRDFQMYZOM-GWCFXTLKSA-N 0 1 280.324 2.036 20 5 CEBDMN C[N@@H+](Cc1cc([O-])ccc1[N+](=O)[O-])[C@H](CO)C(C)(C)C ZINC000093821729 344230439 /nfs/dbraw/zinc/23/04/39/344230439.db2.gz VUEQFDYLQFEQRR-CYBMUJFWSA-N 0 1 282.340 2.139 20 5 CEBDMN CC[N@@H+](Cc1cc([O-])ccc1[N+](=O)[O-])C[C@@H]1CCCO1 ZINC000092406770 344187673 /nfs/dbraw/zinc/18/76/73/344187673.db2.gz VOQFZCRHUFUVNB-ZDUSSCGKSA-N 0 1 280.324 2.301 20 5 CEBDMN CC[N@H+](Cc1cc([O-])ccc1[N+](=O)[O-])C[C@@H]1CCCO1 ZINC000092406770 344187675 /nfs/dbraw/zinc/18/76/75/344187675.db2.gz VOQFZCRHUFUVNB-ZDUSSCGKSA-N 0 1 280.324 2.301 20 5 CEBDMN CC[C@@H]1CN(Cc2cc(O)ccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000092486781 344191447 /nfs/dbraw/zinc/19/14/47/344191447.db2.gz MHLDDGSTMPQVPX-GXFFZTMASA-N 0 1 280.324 2.300 20 5 CEBDMN CCC1(CC)CCN(Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602469674 347045645 /nfs/dbraw/zinc/04/56/45/347045645.db2.gz VQWLPHLXFFKPJB-UHFFFAOYSA-N 0 1 266.345 2.340 20 5 CEBDMN C[C@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)C1CCC1 ZINC000131063200 344356037 /nfs/dbraw/zinc/35/60/37/344356037.db2.gz XBYGFGRNDGRMNO-QMMMGPOBSA-N 0 1 288.307 2.390 20 5 CEBDMN O=[N+]([O-])c1ccc(-c2nc([C@@H]3CCCN3)no2)cc1 ZINC000228560295 344560828 /nfs/dbraw/zinc/56/08/28/344560828.db2.gz INRNLSWKOLICQD-JTQLQIEISA-N 0 1 260.253 2.069 20 5 CEBDMN C[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)[C@@H](C(=O)[O-])C1 ZINC000229294688 344564749 /nfs/dbraw/zinc/56/47/49/344564749.db2.gz HRFUHUKWUAYCIK-GXFFZTMASA-N 0 1 278.308 2.280 20 5 CEBDMN O=[N+]([O-])c1ccc(CN2CCC[C@@H](CO)CC2)c(F)c1 ZINC000293317178 344691841 /nfs/dbraw/zinc/69/18/41/344691841.db2.gz XKCWRYFZCGMBPP-LLVKDONJSA-N 0 1 282.315 2.328 20 5 CEBDMN Cc1cc([N+](=O)[O-])ccc1CN(C)[C@H](CO)COC(C)C ZINC000589205344 345071604 /nfs/dbraw/zinc/07/16/04/345071604.db2.gz WUPXZLODQJAGGE-OAHLLOKOSA-N 0 1 296.367 2.121 20 5 CEBDMN O=C([O-])C[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000054300317 362524499 /nfs/dbraw/zinc/52/44/99/362524499.db2.gz MBEHTNDHICOXNS-LBPRGKRZSA-N 0 1 278.308 2.282 20 5 CEBDMN COC(=O)c1ccc([N+](=O)[O-])c(CN2C[C@H](C)[C@H](C)C2)c1 ZINC000589502420 345085140 /nfs/dbraw/zinc/08/51/40/345085140.db2.gz SWNZDWCORMMGIH-PHIMTYICSA-N 0 1 292.335 2.469 20 5 CEBDMN C[C@@H]1CCCN(CCNc2c(Cl)cncc2[N+](=O)[O-])C1 ZINC000589106951 345065887 /nfs/dbraw/zinc/06/58/87/345065887.db2.gz MRUHLUZSTWDTAA-SNVBAGLBSA-N 0 1 298.774 2.209 20 5 CEBDMN O=c1[nH]nc([C@@H]2CCCN(c3sccc3[N+](=O)[O-])C2)o1 ZINC000589597805 345088249 /nfs/dbraw/zinc/08/82/49/345088249.db2.gz VDMWOPDUPWNRGW-SSDOTTSWSA-N 0 1 296.308 2.129 20 5 CEBDMN Cc1cc(N2CCc3cn[nH]c3C2)c(F)cc1[N+](=O)[O-] ZINC000589690029 345093563 /nfs/dbraw/zinc/09/35/63/345093563.db2.gz XSLXECQMPOLILY-UHFFFAOYSA-N 0 1 276.271 2.328 20 5 CEBDMN O=[N+]([O-])c1cnc2c(c1)C[N@H+](CC1=CCCC1)CC2 ZINC000592096682 345321491 /nfs/dbraw/zinc/32/14/91/345321491.db2.gz BDMAQFXKCSMZFM-UHFFFAOYSA-N 0 1 259.309 2.458 20 5 CEBDMN O=[N+]([O-])c1cnc2c(c1)CN(CC1=CCCC1)CC2 ZINC000592096682 345321494 /nfs/dbraw/zinc/32/14/94/345321494.db2.gz BDMAQFXKCSMZFM-UHFFFAOYSA-N 0 1 259.309 2.458 20 5 CEBDMN C[C@@H]1CC[C@@H](C(=O)[O-])C[N@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000592396498 345350081 /nfs/dbraw/zinc/35/00/81/345350081.db2.gz QSLXKIGVGFTYNO-NXEZZACHSA-N 0 1 296.298 2.419 20 5 CEBDMN O=[N+]([O-])c1cc(F)ccc1CN1CCCC[C@H]1CCO ZINC000595307895 345759454 /nfs/dbraw/zinc/75/94/54/345759454.db2.gz NAHFGFPKTFHGCY-ZDUSSCGKSA-N 0 1 282.315 2.471 20 5 CEBDMN CO[C@@H](CN(C)Cc1ccccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000595288270 345754427 /nfs/dbraw/zinc/75/44/27/345754427.db2.gz MRDPXSQBBKJWKM-HIFRSBDPSA-N 0 1 294.351 2.078 20 5 CEBDMN O=[N+]([O-])c1ccccc1CNCCO[C@H]1CC1(F)F ZINC000594971172 345719690 /nfs/dbraw/zinc/71/96/90/345719690.db2.gz XLNSKMZAYUDZDC-NSHDSACASA-N 0 1 272.251 2.109 20 5 CEBDMN CN(Cc1ccc(F)cc1[N+](=O)[O-])CC1(O)CCCC1 ZINC000595397662 345774647 /nfs/dbraw/zinc/77/46/47/345774647.db2.gz QGABLLXRXFKSKS-UHFFFAOYSA-N 0 1 282.315 2.471 20 5 CEBDMN CC[C@H](C)[N@@H+](CCO)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595494888 345795766 /nfs/dbraw/zinc/79/57/66/345795766.db2.gz CVLVFYDDXQEPFE-JTQLQIEISA-N 0 1 270.304 2.327 20 5 CEBDMN CC[C@H](C)N(CCO)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595494888 345795768 /nfs/dbraw/zinc/79/57/68/345795768.db2.gz CVLVFYDDXQEPFE-JTQLQIEISA-N 0 1 270.304 2.327 20 5 CEBDMN CCOc1cc(CN2CCC3(COC3)C2)ccc1[N+](=O)[O-] ZINC000595832754 345890061 /nfs/dbraw/zinc/89/00/61/345890061.db2.gz IBIJAOWDVOKFHY-UHFFFAOYSA-N 0 1 292.335 2.216 20 5 CEBDMN O=[N+]([O-])c1cccc(F)c1CN1CC[C@H]2COC[C@H]2C1 ZINC000595835833 345892213 /nfs/dbraw/zinc/89/22/13/345892213.db2.gz WALHWFJNNUHCHI-WDEREUQCSA-N 0 1 280.299 2.202 20 5 CEBDMN Cc1cc(N[C@@H](C)c2nnc[nH]2)c([N+](=O)[O-])s1 ZINC000596180716 345961772 /nfs/dbraw/zinc/96/17/72/345961772.db2.gz UNIMUWONWGBLSY-LURJTMIESA-N 0 1 253.287 2.256 20 5 CEBDMN Cc1cc(N[C@H](C)c2nnc[nH]2)c([N+](=O)[O-])s1 ZINC000596180717 345961838 /nfs/dbraw/zinc/96/18/38/345961838.db2.gz UNIMUWONWGBLSY-ZCFIWIBFSA-N 0 1 253.287 2.256 20 5 CEBDMN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCCOCCF ZINC000596095063 345938575 /nfs/dbraw/zinc/93/85/75/345938575.db2.gz NYZGFJNTZWNSNJ-SNVBAGLBSA-N 0 1 286.303 2.240 20 5 CEBDMN Cc1cc(N2CC[C@@]3(O)C[C@H]3C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000596482415 346035050 /nfs/dbraw/zinc/03/50/50/346035050.db2.gz RYABIBWFUFXHLO-MEDUHNTESA-N 0 1 299.330 2.413 20 5 CEBDMN O=[N+]([O-])c1ccccc1CN[C@@H]1CO[C@H](C2CC2)C1 ZINC000597047902 346120476 /nfs/dbraw/zinc/12/04/76/346120476.db2.gz RXMWQVVWTWJIRA-JSGCOSHPSA-N 0 1 262.309 2.252 20 5 CEBDMN O=c1[nH]cccc1CN[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000599086915 346458591 /nfs/dbraw/zinc/45/85/91/346458591.db2.gz BGJKUKGDFRNOCY-CYBMUJFWSA-N 0 1 285.303 2.473 20 5 CEBDMN CC(C)[C@H]1CNCCN1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000599590478 346543364 /nfs/dbraw/zinc/54/33/64/346543364.db2.gz XWQSOOXZDQCGRR-CYBMUJFWSA-N 0 1 292.339 2.057 20 5 CEBDMN CCCC[C@H](C)N(C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602673704 347136007 /nfs/dbraw/zinc/13/60/07/347136007.db2.gz BMNWNPIHBMKAPO-JTQLQIEISA-N 0 1 254.334 2.339 20 5 CEBDMN CO[C@H]1C[C@@H](N(C)Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000602660611 347128762 /nfs/dbraw/zinc/12/87/62/347128762.db2.gz GMEXNXKRVKBAMA-PHIMTYICSA-N 0 1 291.307 2.345 20 5 CEBDMN Cc1ncc([N+](=O)[O-])n1CCN(C)[C@@H](C)c1ccncc1 ZINC000602796260 347202230 /nfs/dbraw/zinc/20/22/30/347202230.db2.gz DYKHPKBOIVOUNQ-NSHDSACASA-N 0 1 289.339 2.188 20 5 CEBDMN Cc1csc([C@@H](C)NCCn2c(C)ncc2[N+](=O)[O-])n1 ZINC000602813038 347210033 /nfs/dbraw/zinc/21/00/33/347210033.db2.gz WGZVIAGZEORGAJ-SECBINFHSA-N 0 1 295.368 2.215 20 5 CEBDMN O=C1[C@@H]2CCCCCC2=NN1c1ccc([N+](=O)[O-])cn1 ZINC000603921534 347398151 /nfs/dbraw/zinc/39/81/51/347398151.db2.gz UIEXVISLTQPVBE-SNVBAGLBSA-N 0 1 274.280 2.273 20 5 CEBDMN Cc1cc(CNc2ccc(F)cc2[N+](=O)[O-])n[nH]1 ZINC000609595829 347645917 /nfs/dbraw/zinc/64/59/17/347645917.db2.gz UIGPPFOLPPTENZ-UHFFFAOYSA-N 0 1 250.233 2.378 20 5 CEBDMN COC[C@@H]1CCCN1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000610605177 347695206 /nfs/dbraw/zinc/69/52/06/347695206.db2.gz OKKRLDNXZVMGPH-LBPRGKRZSA-N 0 1 280.324 2.214 20 5 CEBDMN CCN1CCN(c2cc(C)ccc2[N+](=O)[O-])C[C@@H]1C ZINC000611084819 347737822 /nfs/dbraw/zinc/73/78/22/347737822.db2.gz XHPOPLMZOLEZEN-LBPRGKRZSA-N 0 1 263.341 2.434 20 5 CEBDMN CC(C)C[C@H](N)c1noc(-c2ccc([N+](=O)[O-])n2C)n1 ZINC000339386178 215137820 /nfs/dbraw/zinc/13/78/20/215137820.db2.gz WXJVAQOYZDUYQD-QMMMGPOBSA-N 0 1 279.300 2.029 20 5 CEBDMN Cc1[nH]nc(C(=O)N(CC2CC2)C2CCC2)c1[N+](=O)[O-] ZINC000619458764 349185601 /nfs/dbraw/zinc/18/56/01/349185601.db2.gz RCGSJUSJXXGPLC-UHFFFAOYSA-N 0 1 278.312 2.031 20 5 CEBDMN COc1cc(C[N@H+]2CCCC[C@@H]2C(=O)[O-])ccc1[N+](=O)[O-] ZINC000569108317 299180233 /nfs/dbraw/zinc/18/02/33/299180233.db2.gz JVWKXWGQYZYIAX-GFCCVEGCSA-N 0 1 294.307 2.043 20 5 CEBDMN C[C@@H]1CC[C@@H](C)N1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000123243809 187080425 /nfs/dbraw/zinc/08/04/25/187080425.db2.gz PGPHMGWGCAOAMX-VXGBXAGGSA-N 0 1 291.351 2.430 20 5 CEBDMN C[C@@H]1CN(CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000072873078 363173852 /nfs/dbraw/zinc/17/38/52/363173852.db2.gz HDHPUBPMXDPHBN-GHMZBOCLSA-N 0 1 277.324 2.121 20 5 CEBDMN Cc1cc(N[C@H](C)c2nnc[nH]2)c(F)cc1[N+](=O)[O-] ZINC000292747733 198398567 /nfs/dbraw/zinc/39/85/67/198398567.db2.gz VLWLKVTZVLKUBE-SSDOTTSWSA-N 0 1 265.248 2.334 20 5 CEBDMN CNC(=O)c1ccc(CNCc2ccccc2[N+](=O)[O-])cc1 ZINC000074334022 363326184 /nfs/dbraw/zinc/32/61/84/363326184.db2.gz RZWYLLWIMATUBW-UHFFFAOYSA-N 0 1 299.330 2.244 20 5 CEBDMN CC(C)O[C@H]1C[C@@H](NCc2c([N+](=O)[O-])ncn2C)C1(C)C ZINC000451489701 283007913 /nfs/dbraw/zinc/00/79/13/283007913.db2.gz CVBHGZIALPCTHE-NEPJUHHUSA-N 0 1 296.371 2.010 20 5 CEBDMN CC(C)c1ccc(CN(C)CCOCCO)cc1[N+](=O)[O-] ZINC000337541421 366160760 /nfs/dbraw/zinc/16/07/60/366160760.db2.gz KWEGHMCTMBCXRH-UHFFFAOYSA-N 0 1 296.367 2.159 20 5 CEBDMN CN(CCCn1ccnc1)Cc1ccc([N+](=O)[O-])cc1F ZINC000271753351 191306188 /nfs/dbraw/zinc/30/61/88/191306188.db2.gz ZDBSCHHIMCBAEQ-UHFFFAOYSA-N 0 1 292.314 2.453 20 5 CEBDMN C[C@@H]1C[C@H](O)CN(C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000414521322 236398129 /nfs/dbraw/zinc/39/81/29/236398129.db2.gz FJBBYWGDMWRTST-HRLNJXSSSA-N 0 1 276.336 2.311 20 5 CEBDMN CN(Cc1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000135256486 366415979 /nfs/dbraw/zinc/41/59/79/366415979.db2.gz NQCFFZIFJHTTMN-JTQLQIEISA-N 0 1 270.716 2.469 20 5 CEBDMN CN(Cc1cccnc1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339052066 366631603 /nfs/dbraw/zinc/63/16/03/366631603.db2.gz BMJPBVHUELIUBY-UHFFFAOYSA-N 0 1 273.292 2.327 20 5 CEBDMN C[N@H+](CCc1ccccn1)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000339054655 366633126 /nfs/dbraw/zinc/63/31/26/366633126.db2.gz WIJUFQCGUWHERG-UHFFFAOYSA-N 0 1 287.319 2.370 20 5 CEBDMN C[N@@H+](CCc1ccccn1)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000339054655 366633131 /nfs/dbraw/zinc/63/31/31/366633131.db2.gz WIJUFQCGUWHERG-UHFFFAOYSA-N 0 1 287.319 2.370 20 5 CEBDMN C[C@]1(O)CCC[N@@H+](Cc2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC000339140384 366674168 /nfs/dbraw/zinc/67/41/68/366674168.db2.gz DGIDUEDFWWXKSB-AWEZNQCLSA-N 0 1 280.324 2.037 20 5 CEBDMN O=[N+]([O-])c1ccc(O)cc1CN1CCc2ncsc2C1 ZINC000339112883 366658232 /nfs/dbraw/zinc/65/82/32/366658232.db2.gz WMDAWAMZDSPEBB-UHFFFAOYSA-N 0 1 291.332 2.315 20 5 CEBDMN Cc1cc(C[C@H](C)NC(=O)c2csc([N+](=O)[O-])c2)n[nH]1 ZINC000178184503 189096138 /nfs/dbraw/zinc/09/61/38/189096138.db2.gz MJZSRMCHOZFVCQ-ZETCQYMHSA-N 0 1 294.336 2.049 20 5 CEBDMN C[N@@H+](CCCCC(=O)[O-])Cc1ccccc1[N+](=O)[O-] ZINC000181545622 189300652 /nfs/dbraw/zinc/30/06/52/189300652.db2.gz DWQSVTFCNZTCPY-UHFFFAOYSA-N 0 1 266.297 2.282 20 5 CEBDMN CC[C@@H]1CN(c2ccccc2[N+](=O)[O-])CCN1CCOC ZINC000110560515 364722355 /nfs/dbraw/zinc/72/23/55/364722355.db2.gz ATTXNQCQESJGJT-CYBMUJFWSA-N 0 1 293.367 2.142 20 5 CEBDMN CCCN1CCC[C@H]1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000112851267 364851135 /nfs/dbraw/zinc/85/11/35/364851135.db2.gz YXTNWGIKIYWSKF-ZDUSSCGKSA-N 0 1 277.324 2.408 20 5 CEBDMN CCN(CC(=O)Nc1ccccc1[N+](=O)[O-])CC1CC1 ZINC000112983264 364860528 /nfs/dbraw/zinc/86/05/28/364860528.db2.gz SFLKCEMMUSFUKG-UHFFFAOYSA-N 0 1 277.324 2.265 20 5 CEBDMN CC[C@@]1(CO)CCCN1Cc1ccc([N+](=O)[O-])cc1F ZINC000275822688 193138553 /nfs/dbraw/zinc/13/85/53/193138553.db2.gz KBTMVZPEHHKJQE-AWEZNQCLSA-N 0 1 282.315 2.471 20 5 CEBDMN C[C@H](CCC(C)(C)C)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000161962109 367124839 /nfs/dbraw/zinc/12/48/39/367124839.db2.gz PNMRXLCQRKJJGI-MRVPVSSYSA-N 0 1 268.317 2.263 20 5 CEBDMN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC[C@H]1C ZINC000245452440 370822863 /nfs/dbraw/zinc/82/28/63/370822863.db2.gz QIUWFJUXQSGHPW-GHMZBOCLSA-N 0 1 277.324 2.406 20 5 CEBDMN C[C@@H]1CCCC[C@H]1CCNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000343398526 367793021 /nfs/dbraw/zinc/79/30/21/367793021.db2.gz KAHWNACJYJTIDS-ZJUUUORDSA-N 0 1 280.328 2.264 20 5 CEBDMN C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000330631790 203061715 /nfs/dbraw/zinc/06/17/15/203061715.db2.gz GNYSWTYGVFQFRH-NXEZZACHSA-N 0 1 293.323 2.112 20 5 CEBDMN COC(=O)[C@H]1CCN(Cc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000191821326 369746218 /nfs/dbraw/zinc/74/62/18/369746218.db2.gz RWODQTORMUVACP-RISCZKNCSA-N 0 1 292.335 2.226 20 5 CEBDMN CCCc1[nH]nc(C(=O)N2CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC000193323121 369927188 /nfs/dbraw/zinc/92/71/88/369927188.db2.gz UUXMRIAWPPKREE-VIFPVBQESA-N 0 1 280.328 2.285 20 5 CEBDMN C[C@@]1(O)CCCN(Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000230375731 370458469 /nfs/dbraw/zinc/45/84/69/370458469.db2.gz NVEQTQIVRWWBEH-CQSZACIVSA-N 0 1 282.315 2.471 20 5 CEBDMN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@@H](OCCO)C1 ZINC000246752968 371004585 /nfs/dbraw/zinc/00/45/85/371004585.db2.gz JPXRDQMEHYVTRX-IUODEOHRSA-N 0 1 294.351 2.129 20 5 CEBDMN C[C@H]1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)[C@H]1CO ZINC000249006464 371282413 /nfs/dbraw/zinc/28/24/13/371282413.db2.gz ZOMLEFKTLYFQBV-ZANVPECISA-N 0 1 284.743 2.451 20 5 CEBDMN COC(=O)[C@@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000249077829 371291741 /nfs/dbraw/zinc/29/17/41/371291741.db2.gz MBCNJCBETRROGC-BXUZGUMPSA-N 0 1 292.335 2.226 20 5 CEBDMN CCC(CC)N(CC)Cc1c([N+](=O)[O-])ncn1C ZINC000344032405 217020739 /nfs/dbraw/zinc/02/07/39/217020739.db2.gz PYDCPRRJWBAQMT-UHFFFAOYSA-N 0 1 254.334 2.339 20 5 CEBDMN CCN(Cc1ccc([N+](=O)[O-])cc1OC)C[C@@H](C)OC ZINC000361566675 371930080 /nfs/dbraw/zinc/93/00/80/371930080.db2.gz USVMAJJNFFXMCQ-LLVKDONJSA-N 0 1 282.340 2.460 20 5 CEBDMN CCC(C)(C)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000269284755 372406749 /nfs/dbraw/zinc/40/67/49/372406749.db2.gz NCISXRGGIPFPBV-UHFFFAOYSA-N 0 1 252.270 2.219 20 5 CEBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCCC2(CCCCC2)C1 ZINC000362774354 372519101 /nfs/dbraw/zinc/51/91/01/372519101.db2.gz KCVZQTYOZQABCZ-VXGBXAGGSA-N 0 1 266.341 2.225 20 5 CEBDMN Cc1[nH]nc(C(=O)N2CCC[C@H]3CCCC[C@H]32)c1[N+](=O)[O-] ZINC000270218057 372707544 /nfs/dbraw/zinc/70/75/44/372707544.db2.gz JZWOMFDFOPQVJO-GHMZBOCLSA-N 0 1 292.339 2.421 20 5 CEBDMN O=C(c1cnc[nH]1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000270689020 372902416 /nfs/dbraw/zinc/90/24/16/372902416.db2.gz JMFKKIZGEPTKMS-UHFFFAOYSA-N 0 1 286.291 2.123 20 5 CEBDMN O=C(N[C@H]1C[C@H](c2ccc(Cl)cc2)C1)[C@H]1CC1[N+](=O)[O-] ZINC000366522187 373078987 /nfs/dbraw/zinc/07/89/87/373078987.db2.gz NLANVRGNKHYLKW-BQUFFADESA-N 0 1 294.738 2.367 20 5 CEBDMN CC[C@@H](CSC)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272606498 373578512 /nfs/dbraw/zinc/57/85/12/373578512.db2.gz VHUNULLGAATWNJ-VIFPVBQESA-N 0 1 284.337 2.172 20 5 CEBDMN O=[N+]([O-])c1cc(O)cc(-c2nc([C@H]3CCCO3)no2)c1 ZINC000275021195 374128415 /nfs/dbraw/zinc/12/84/15/374128415.db2.gz TTWWRHGZALNOFG-SNVBAGLBSA-N 0 1 277.236 2.202 20 5 CEBDMN Cc1cccc([C@H]2C[C@H](NC(=O)[C@H]3CC3[N+](=O)[O-])C2)c1 ZINC000373738249 374412214 /nfs/dbraw/zinc/41/22/14/374412214.db2.gz VZQFEMVJKIHIIJ-XDQVBPFNSA-N 0 1 274.320 2.022 20 5 CEBDMN O=[N+]([O-])c1ccc(N[C@H](c2nnc[nH]2)c2ccccc2)nc1 ZINC000376926356 374758746 /nfs/dbraw/zinc/75/87/46/374758746.db2.gz SLMRRZJKIALQKC-ZDUSSCGKSA-N 0 1 296.290 2.309 20 5 CEBDMN CC1(C)CN(C(=O)[C@@H]2CC2[N+](=O)[O-])[C@@H]1c1cccs1 ZINC000377097845 374789627 /nfs/dbraw/zinc/78/96/27/374789627.db2.gz FBOZHASXSWJHOM-FXPVBKGRSA-N 0 1 280.349 2.323 20 5 CEBDMN Cn1cnc([N+](=O)[O-])c1CN1CCC[C@@H]2CCCC[C@@H]21 ZINC000408001490 375391825 /nfs/dbraw/zinc/39/18/25/375391825.db2.gz ANDHYRMVTHUKAJ-RYUDHWBXSA-N 0 1 278.356 2.483 20 5 CEBDMN Cc1ccc([C@@H](C)N[C@@H](C)C(=O)NCCF)cc1[N+](=O)[O-] ZINC000282809854 375581122 /nfs/dbraw/zinc/58/11/22/375581122.db2.gz RGCYQMHXXBKGRZ-MNOVXSKESA-N 0 1 297.330 2.028 20 5 CEBDMN COC(=O)[C@]1(C)C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000282959564 375623303 /nfs/dbraw/zinc/62/33/03/375623303.db2.gz ZOZGDXIHIQNRHT-IAQYHMDHSA-N 0 1 292.335 2.226 20 5 CEBDMN CCC[N@@H+](CC(=O)[O-])Cc1ccc([N+](=O)[O-])cc1F ZINC000261583922 190041100 /nfs/dbraw/zinc/04/11/00/190041100.db2.gz HMKJSTQSAAGIGQ-UHFFFAOYSA-N 0 1 270.260 2.031 20 5 CEBDMN CCOc1ccc([N+](=O)[O-])cc1CN(C)[C@@H]1CCC[C@H]1O ZINC000286729943 376048565 /nfs/dbraw/zinc/04/85/65/376048565.db2.gz XRCBSOXIGFPXTO-ZIAGYGMSSA-N 0 1 294.351 2.339 20 5 CEBDMN CC1(C)CC[C@@H]1NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000287413684 376227038 /nfs/dbraw/zinc/22/70/38/376227038.db2.gz ZPIOMOZFIUCFNY-NSHDSACASA-N 0 1 264.281 2.219 20 5 CEBDMN COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCCC[C@@H]1C(=O)[O-] ZINC000563274602 377151005 /nfs/dbraw/zinc/15/10/05/377151005.db2.gz QMBLVXQPJBFUIW-GFCCVEGCSA-N 0 1 294.307 2.043 20 5 CEBDMN COC[C@@H]1C[C@@H](OC)CN1Cc1cccc([N+](=O)[O-])c1C ZINC000330547410 377178738 /nfs/dbraw/zinc/17/87/38/377178738.db2.gz ZQTKCTCZIDUVLO-UONOGXRCSA-N 0 1 294.351 2.139 20 5 CEBDMN CC[C@@H](F)CN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000331276097 377355823 /nfs/dbraw/zinc/35/58/23/377355823.db2.gz CHEFTHGESRQLBE-GHMZBOCLSA-N 0 1 282.319 2.224 20 5 CEBDMN COc1ccc(NC(=O)CN(C)C(C)(C)C)c([N+](=O)[O-])c1 ZINC000564796272 377457248 /nfs/dbraw/zinc/45/72/48/377457248.db2.gz KGJMBBJBGQEINR-UHFFFAOYSA-N 0 1 295.339 2.272 20 5 CEBDMN C[C@@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C[C@@H]1C(=O)[O-] ZINC000565303028 377634884 /nfs/dbraw/zinc/63/48/84/377634884.db2.gz KRCPUSVWKBKIBT-MFKMUULPSA-N 0 1 278.308 2.137 20 5 CEBDMN Cc1ccc([N+](=O)[O-])c(C(=O)N(C)[C@H]2CCCN(C)C2)c1 ZINC000266103273 190230934 /nfs/dbraw/zinc/23/09/34/190230934.db2.gz ODYJZUPWAVZDTG-LBPRGKRZSA-N 0 1 291.351 2.069 20 5 CEBDMN COC[C@@H](NCc1ccc([N+](=O)[O-])cc1F)[C@@H]1CCCO1 ZINC000278542315 194034712 /nfs/dbraw/zinc/03/47/12/194034712.db2.gz AABVGYJGTDYVLG-KGLIPLIRSA-N 0 1 298.314 2.018 20 5 CEBDMN Cc1n[nH]c(C2CCN(c3ccccc3[N+](=O)[O-])CC2)n1 ZINC000301171162 379209621 /nfs/dbraw/zinc/20/96/21/379209621.db2.gz XDLQWZQSWWEGEP-UHFFFAOYSA-N 0 1 287.323 2.405 20 5 CEBDMN Cc1nnc(C2CCN(c3ccccc3[N+](=O)[O-])CC2)[nH]1 ZINC000301171162 379209627 /nfs/dbraw/zinc/20/96/27/379209627.db2.gz XDLQWZQSWWEGEP-UHFFFAOYSA-N 0 1 287.323 2.405 20 5 CEBDMN CCN1C[C@@H](C)N(c2ncc([N+](=O)[O-])cc2F)C[C@H]1C ZINC000517709043 379375183 /nfs/dbraw/zinc/37/51/83/379375183.db2.gz HILDBKZIPLTMJW-NXEZZACHSA-N 0 1 282.319 2.048 20 5 CEBDMN CN(CCCCCO)Cc1ccc([N+](=O)[O-])cc1F ZINC000278950570 194226522 /nfs/dbraw/zinc/22/65/22/194226522.db2.gz VPQNXSTWAXBNPB-UHFFFAOYSA-N 0 1 270.304 2.328 20 5 CEBDMN CN(Cc1ccc([N+](=O)[O-])cc1F)C[C@@H]1CCC[C@H]1O ZINC000305294334 379702798 /nfs/dbraw/zinc/70/27/98/379702798.db2.gz GBLFCDKHRGRLGU-SMDDNHRTSA-N 0 1 282.315 2.327 20 5 CEBDMN C[C@H]1CCCN1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000076117721 394616173 /nfs/dbraw/zinc/61/61/73/394616173.db2.gz HPEZDCQMAXPQLM-JTQLQIEISA-N 0 1 278.308 2.446 20 5 CEBDMN CCN1CCCN(c2ccc(C(C)=O)cc2[N+](=O)[O-])CC1 ZINC000264599005 394641493 /nfs/dbraw/zinc/64/14/93/394641493.db2.gz BAYXNHHWPPOOEA-UHFFFAOYSA-N 0 1 291.351 2.329 20 5 CEBDMN CC(C)c1[nH]nc(C(=O)N2CCCC2(C)C)c1[N+](=O)[O-] ZINC000269479336 394718224 /nfs/dbraw/zinc/71/82/24/394718224.db2.gz VSTYRSFAMLNXNS-UHFFFAOYSA-N 0 1 280.328 2.456 20 5 CEBDMN Cc1cnc(N2CCc3cnccc32)c([N+](=O)[O-])c1 ZINC000362559742 394864355 /nfs/dbraw/zinc/86/43/55/394864355.db2.gz HNZDKOZWLPJKJA-UHFFFAOYSA-N 0 1 256.265 2.387 20 5 CEBDMN Cc1cc(N2CCC[C@@H](c3nc[nH]n3)C2)ccc1[N+](=O)[O-] ZINC000370843837 395017321 /nfs/dbraw/zinc/01/73/21/395017321.db2.gz RPDFBYJMIVKNKK-LLVKDONJSA-N 0 1 287.323 2.405 20 5 CEBDMN CN(Cc1ccccc1)C1CN(c2ncccc2[N+](=O)[O-])C1 ZINC000286393322 395021569 /nfs/dbraw/zinc/02/15/69/395021569.db2.gz PBSJXDGEVSHDKM-UHFFFAOYSA-N 0 1 298.346 2.310 20 5 CEBDMN Cc1cc(N2CCCN(C)CC2)c(F)cc1[N+](=O)[O-] ZINC000290996716 395120849 /nfs/dbraw/zinc/12/08/49/395120849.db2.gz SJPUXRDIPJPPBC-UHFFFAOYSA-N 0 1 267.304 2.184 20 5 CEBDMN CC[C@@](C)(NCCn1cc([N+](=O)[O-])cn1)c1nccs1 ZINC000174871828 395129707 /nfs/dbraw/zinc/12/97/07/395129707.db2.gz NJYZUAVSWPKNCD-GFCCVEGCSA-N 0 1 295.368 2.163 20 5 CEBDMN CC1(C)C[C@H](NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CO1 ZINC000418028895 395174841 /nfs/dbraw/zinc/17/48/41/395174841.db2.gz HWTPAPNKUVLAPO-VIFPVBQESA-N 0 1 290.323 2.128 20 5 CEBDMN C[C@H]1CN(Cc2c(F)cccc2[N+](=O)[O-])[C@@H](C)CN1C ZINC000351929093 395241602 /nfs/dbraw/zinc/24/16/02/395241602.db2.gz XEQNQIWSLNUGHY-QWRGUYRKSA-N 0 1 281.331 2.258 20 5 CEBDMN CCOCCO[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000355206810 395365148 /nfs/dbraw/zinc/36/51/48/395365148.db2.gz MUGQGCGUEKBYAD-OAHLLOKOSA-N 0 1 294.351 2.222 20 5 CEBDMN CC(C)[C@H](CC(F)(F)F)NCc1c([N+](=O)[O-])ncn1C ZINC000445900184 395475043 /nfs/dbraw/zinc/47/50/43/395475043.db2.gz YUDQUUASFMHGKO-QMMMGPOBSA-N 0 1 294.277 2.395 20 5 CEBDMN COc1cc([N+](=O)[O-])ccc1CN(C)CC(C)(C)CO ZINC000451251908 395599126 /nfs/dbraw/zinc/59/91/26/395599126.db2.gz JKICQXAWEYKUBE-UHFFFAOYSA-N 0 1 282.340 2.054 20 5 CEBDMN CC[C@H]1CN(C)CC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000568710199 395566925 /nfs/dbraw/zinc/56/69/25/395566925.db2.gz ZVJRWQIQUUZEAG-AWEZNQCLSA-N 0 1 277.368 2.163 20 5 CEBDMN O=[N+]([O-])c1cc(F)cc(NCc2n[nH]c(C3CC3)n2)c1 ZINC000359619319 155083221 /nfs/dbraw/zinc/08/32/21/155083221.db2.gz MLGOMHMTUJJMSB-UHFFFAOYSA-N 0 1 277.259 2.342 20 5 CEBDMN CCc1[nH]nc(C(=O)N2CC[C@H](CC3CC3)C2)c1[N+](=O)[O-] ZINC000359687222 155111871 /nfs/dbraw/zinc/11/18/71/155111871.db2.gz NYCJGCBBAYTZME-SNVBAGLBSA-N 0 1 292.339 2.143 20 5 CEBDMN COc1cc([N+](=O)[O-])ccc1CN1CCC[C@@]12CCOC2 ZINC000367451382 156188186 /nfs/dbraw/zinc/18/81/86/156188186.db2.gz QUWZMANEIDGJQF-HNNXBMFYSA-N 0 1 292.335 2.358 20 5 CEBDMN C[C@@H](NC[C@H](O)C(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000222632549 414845112 /nfs/dbraw/zinc/84/51/12/414845112.db2.gz RTGOUSDGAUDLKD-XCBNKYQSSA-N 0 1 278.230 2.169 20 5 CEBDMN O=C([O-])c1ccc(C[NH2+]Cc2cccc([N+](=O)[O-])c2)o1 ZINC000071396275 176150146 /nfs/dbraw/zinc/15/01/46/176150146.db2.gz QHKUXGINCQJHGO-UHFFFAOYSA-N 0 1 276.248 2.176 20 5 CEBDMN CO[C@H](CN(C)Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000425379041 264217192 /nfs/dbraw/zinc/21/71/92/264217192.db2.gz AIMPFMSPLVNDNG-CQSZACIVSA-N 0 1 264.325 2.452 20 5 CEBDMN C[C@@H]1CC[C@@H](C(=O)[O-])C[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000397479670 270354209 /nfs/dbraw/zinc/35/42/09/270354209.db2.gz CXMTYOLXWHTSTM-ZYHUDNBSSA-N 0 1 278.308 2.280 20 5 CEBDMN COc1cc(CN[C@H]2CC23CC3)c([N+](=O)[O-])cc1OC ZINC000424182282 271028746 /nfs/dbraw/zinc/02/87/46/271028746.db2.gz GKMGQAXCYJRHEL-ZDUSSCGKSA-N 0 1 278.308 2.254 20 5 CEBDMN COc1cc([N+](=O)[O-])ccc1CN(C)[C@@H](CO)CC(C)C ZINC000430207411 271362854 /nfs/dbraw/zinc/36/28/54/271362854.db2.gz QIWSLKSARMQXRA-CQSZACIVSA-N 0 1 296.367 2.442 20 5 CEBDMN C[C@@H]1CCCN1[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000072875550 274293115 /nfs/dbraw/zinc/29/31/15/274293115.db2.gz ZMFRHSADRNERLS-BXUZGUMPSA-N 0 1 289.335 2.184 20 5 CEBDMN O=[N+]([O-])c1ccc(N2CCCN(C3CC3)CC2)c(F)c1 ZINC000057857655 275035971 /nfs/dbraw/zinc/03/59/71/275035971.db2.gz GZJXNIQPIABYKI-UHFFFAOYSA-N 0 1 279.315 2.408 20 5 CEBDMN CC1(C)CN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])CCN1 ZINC000212701123 278319250 /nfs/dbraw/zinc/31/92/50/278319250.db2.gz OWLLMFSUZCRLPN-UHFFFAOYSA-N 0 1 297.742 2.072 20 5 CEBDMN COCCO[C@@H]1CCN([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000249406532 280395877 /nfs/dbraw/zinc/39/58/77/280395877.db2.gz UOQBUDOVDLPDPU-IUODEOHRSA-N 0 1 294.351 2.393 20 5 CEBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@@H](C)C(=O)NCCF ZINC000514798370 297553535 /nfs/dbraw/zinc/55/35/35/297553535.db2.gz NXMQZFQLWVLUEW-MNOVXSKESA-N 0 1 297.330 2.028 20 5 CEBDMN Cc1ccc(CN2CCC(C)(CO)CC2)cc1[N+](=O)[O-] ZINC000184075701 524438209 /nfs/dbraw/zinc/43/82/09/524438209.db2.gz BOIPAKLWXUIZJX-UHFFFAOYSA-N 0 1 278.352 2.498 20 5 CEBDMN Cc1ccc([C@@H]2C[C@H](C)N(C(=O)[C@H]3CC3[N+](=O)[O-])C2)cc1 ZINC000365892216 525855299 /nfs/dbraw/zinc/85/52/99/525855299.db2.gz ZBPQHFMOTCAVRP-ATGSNQNLSA-N 0 1 288.347 2.365 20 5 CEBDMN CC(C)CN1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000248250532 535102479 /nfs/dbraw/zinc/10/24/79/535102479.db2.gz SDZDOFIYLUKDMZ-UHFFFAOYSA-N 0 1 291.351 2.009 20 5 CEBDMN CCN(Cn1nc(C)c2cc([N+](=O)[O-])cnc21)C1CC1 ZINC000749939815 574448977 /nfs/dbraw/zinc/44/89/77/574448977.db2.gz BTIKXMZPOIOHDB-UHFFFAOYSA-N 0 1 275.312 2.090 20 5 CEBDMN C[C@@H](C(=O)NOCC(F)F)c1ccc([N+](=O)[O-])cc1F ZINC000759328292 574516114 /nfs/dbraw/zinc/51/61/14/574516114.db2.gz PKZNAFNUSMGTDV-ZCFIWIBFSA-N 0 1 292.213 2.150 20 5 CEBDMN O=C([O-])CCCC[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000821516425 597802388 /nfs/dbraw/zinc/80/23/88/597802388.db2.gz SSPNSGGAJOQODX-UHFFFAOYSA-N 0 1 278.308 2.208 20 5 CEBDMN C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H](CNC(=O)[O-])C1 ZINC000825638772 604043439 /nfs/dbraw/zinc/04/34/39/604043439.db2.gz OOUKMCBILNTDKJ-WDEREUQCSA-N 0 1 293.323 2.245 20 5 CEBDMN Cc1c(C[N@H+]2CCC[C@@H]2CNC(=O)[O-])cccc1[N+](=O)[O-] ZINC000829860130 604085387 /nfs/dbraw/zinc/08/53/87/604085387.db2.gz VHVBVLZCJPYCJG-GFCCVEGCSA-N 0 1 293.323 2.135 20 5 CEBDMN C[C@H](C(=O)[O-])[N@@H+](C)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000901979080 634401880 /nfs/dbraw/zinc/40/18/80/634401880.db2.gz FMYFFPYWXKBFNV-SSDOTTSWSA-N 0 1 272.688 2.153 20 5 CEBDMN C[C@@H]1CN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])C[C@H](C)N1 ZINC000070076497 625020184 /nfs/dbraw/zinc/02/01/84/625020184.db2.gz DRHOTAXUASTTSD-DTORHVGOSA-N 0 1 297.742 2.071 20 5 CEBDMN C[C@@H]1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000894302222 629321148 /nfs/dbraw/zinc/32/11/48/629321148.db2.gz ZNLYYHMTJKTKMQ-FMKGYKFTSA-N 0 1 274.320 2.261 20 5 CEBDMN O=C(OC[C@H]1CCC2(CCCCC2)O1)[C@@H]1CC1[N+](=O)[O-] ZINC000840673504 629357998 /nfs/dbraw/zinc/35/79/98/629357998.db2.gz QOQRIKCAKGKGIV-IJLUTSLNSA-N 0 1 283.324 2.077 20 5 CEBDMN CO[C@@H]1CC[C@H]1[N@@H+](C)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000902636062 634755702 /nfs/dbraw/zinc/75/57/02/634755702.db2.gz DURHMDMTXATTPE-TZMCWYRMSA-N 0 1 290.323 2.011 20 5 CEBDMN CO[C@@H]1CC[C@H]1N(C)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000902636062 634755703 /nfs/dbraw/zinc/75/57/03/634755703.db2.gz DURHMDMTXATTPE-TZMCWYRMSA-N 0 1 290.323 2.011 20 5 CEBDMN O=[N+]([O-])c1cc2c(cc1CN1CC[C@@H](CF)C1)OCCO2 ZINC000895575501 630255849 /nfs/dbraw/zinc/25/58/49/630255849.db2.gz UVHFJKKDYPFOQO-JTQLQIEISA-N 0 1 296.298 2.157 20 5 CEBDMN CC(=O)c1cc(N[C@H]2CC[N@@H+](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000895736170 630325827 /nfs/dbraw/zinc/32/58/27/630325827.db2.gz JBMIOACSASAZOV-ZANVPECISA-N 0 1 277.324 2.302 20 5 CEBDMN CC(=O)c1cc(N[C@H]2CCN(C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000895736170 630325828 /nfs/dbraw/zinc/32/58/28/630325828.db2.gz JBMIOACSASAZOV-ZANVPECISA-N 0 1 277.324 2.302 20 5 CEBDMN CC(=O)c1ccc(N[C@@H]2CCN(C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000895736307 630326444 /nfs/dbraw/zinc/32/64/44/630326444.db2.gz KDXGHQXUDNNYKT-JOYOIKCWSA-N 0 1 277.324 2.302 20 5 CEBDMN CC(C)(C)N1CC[C@@H]1C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000895756690 630332510 /nfs/dbraw/zinc/33/25/10/630332510.db2.gz KXSIMDCMBGLABP-CYBMUJFWSA-N 0 1 291.351 2.084 20 5 CEBDMN O=[N+]([O-])CCN1CCCN(Cc2ccc(Cl)cc2)CC1 ZINC000798193262 630832941 /nfs/dbraw/zinc/83/29/41/630832941.db2.gz JAKLIBCARHLIRD-UHFFFAOYSA-N 0 1 297.786 2.124 20 5 CEBDMN CC(C)[C@H](C(=O)OCCc1ccccc1[N+](=O)[O-])N(C)C ZINC000798841834 630938470 /nfs/dbraw/zinc/93/84/70/630938470.db2.gz PGEYFAQXHAZOHS-CQSZACIVSA-N 0 1 294.351 2.267 20 5 CEBDMN C[C@@H]1C[C@@H](NCCc2ccccc2[N+](=O)[O-])c2ncnn21 ZINC000925151956 631091742 /nfs/dbraw/zinc/09/17/42/631091742.db2.gz FWLBHTOMPIZWHM-ZYHUDNBSSA-N 0 1 287.323 2.024 20 5 CEBDMN O=[N+]([O-])c1ccnn1CN1CCC[C@@H]1Cc1ccccc1 ZINC000054447610 631538851 /nfs/dbraw/zinc/53/88/51/631538851.db2.gz ZNZGJTGUCHTUNO-CQSZACIVSA-N 0 1 286.335 2.456 20 5 CEBDMN CC(C)[C@@H](C(=O)OCc1c(F)cccc1[N+](=O)[O-])N(C)C ZINC000803494273 631574013 /nfs/dbraw/zinc/57/40/13/631574013.db2.gz AUBBJESEIGIXQY-ZDUSSCGKSA-N 0 1 298.314 2.363 20 5 CEBDMN CCc1cc(OC(=O)[C@@H]2CC2[N+](=O)[O-])ccc1Cl ZINC000840246123 632486862 /nfs/dbraw/zinc/48/68/62/632486862.db2.gz OKOCOMYDWFULLQ-MWLCHTKSSA-N 0 1 269.684 2.473 20 5 CEBDMN O=C(N[C@H]1CCCC[C@H]1c1ccccc1)[C@@H]1CC1[N+](=O)[O-] ZINC000840285249 632654526 /nfs/dbraw/zinc/65/45/26/632654526.db2.gz DBYNJKOYKIVMKZ-LJISPDSOSA-N 0 1 288.347 2.494 20 5 CEBDMN C[C@H](NCc1cccnc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815553142 633031130 /nfs/dbraw/zinc/03/11/30/633031130.db2.gz SKDQRBSKJRNNCS-JTQLQIEISA-N 0 1 272.308 2.423 20 5 CEBDMN O=C([O-])[C@@H]1C[C@H]1C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000903887625 635314875 /nfs/dbraw/zinc/31/48/75/635314875.db2.gz YFFPWPFYXCNXBR-WCQYABFASA-N 0 1 290.319 2.280 20 5 CEBDMN CCC[C@H](C(=O)[O-])[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000903962313 635371934 /nfs/dbraw/zinc/37/19/34/635371934.db2.gz FCCQEMIWYCQNMU-CYBMUJFWSA-N 0 1 278.308 2.206 20 5 CEBDMN CC[C@](O)(CNCc1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC000905066134 635809685 /nfs/dbraw/zinc/80/96/85/635809685.db2.gz NVBJICFFNXJSDF-NSHDSACASA-N 0 1 292.257 2.388 20 5 CEBDMN CC(C)(C)c1ccccc1OCCNCC[N+](=O)[O-] ZINC000905103555 635816762 /nfs/dbraw/zinc/81/67/62/635816762.db2.gz YDUSESPLADHYRA-UHFFFAOYSA-N 0 1 266.341 2.229 20 5 CEBDMN COc1ccccc1[C@@H](CNCC[N+](=O)[O-])OC(C)C ZINC000905217078 636164665 /nfs/dbraw/zinc/16/46/65/636164665.db2.gz UXCSWLIQMILAJI-CQSZACIVSA-N 0 1 282.340 2.028 20 5 CEBDMN Cc1ccc2cnccc2c1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000876287463 650237925 /nfs/dbraw/zinc/23/79/25/650237925.db2.gz PUTWBYYRMYKBEO-VXGBXAGGSA-N 0 1 271.276 2.147 20 5 CEBDMN CCCCOCC(=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837532279 639269814 /nfs/dbraw/zinc/26/98/14/639269814.db2.gz TYYFDKNMXJOSBJ-UHFFFAOYSA-N 0 1 283.280 2.160 20 5 CEBDMN C[C@@H](C[S@@](C)=O)NCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000168850377 639586295 /nfs/dbraw/zinc/58/62/95/639586295.db2.gz RIRIHXQKXVZSSY-ASCAZGACSA-N 0 1 290.772 2.105 20 5 CEBDMN Cc1c(CN[C@@H](C)C(=O)N2CCCC2)cccc1[N+](=O)[O-] ZINC000228108144 639617959 /nfs/dbraw/zinc/61/79/59/639617959.db2.gz ZSSKYYSULSEVQO-LBPRGKRZSA-N 0 1 291.351 2.004 20 5 CEBDMN CSc1cccc(COC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC000841210849 639708059 /nfs/dbraw/zinc/70/80/59/639708059.db2.gz WDGPHJFMNKEOHR-GHMZBOCLSA-N 0 1 267.306 2.117 20 5 CEBDMN O=[N+]([O-])CCN1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000929621872 639998514 /nfs/dbraw/zinc/99/85/14/639998514.db2.gz KWMZJLZRVAXDMV-NSHDSACASA-N 0 1 254.717 2.406 20 5 CEBDMN O=C(Oc1ccc(C(F)(F)F)cc1F)[C@@H]1CC1[N+](=O)[O-] ZINC000842345795 640024033 /nfs/dbraw/zinc/02/40/33/640024033.db2.gz BPWKNBYHEHBWSH-HTRCEHHLSA-N 0 1 293.172 2.415 20 5 CEBDMN CC(C)[C@H](N)c1noc(CNc2ccccc2[N+](=O)[O-])n1 ZINC000843147590 640306075 /nfs/dbraw/zinc/30/60/75/640306075.db2.gz BMOISSUQTQMCII-LBPRGKRZSA-N 0 1 291.311 2.246 20 5 CEBDMN O=C(N[C@H](C1CCC1)C1CCCC1)[C@@H]1CC1[N+](=O)[O-] ZINC000843666999 640490614 /nfs/dbraw/zinc/49/06/14/640490614.db2.gz GQCIVMYNAXPPNW-UPJWGTAASA-N 0 1 266.341 2.127 20 5 CEBDMN O=C(O[C@@H]1CCCC12CCCC2)[C@@H]1CC1[N+](=O)[O-] ZINC000845732221 641061880 /nfs/dbraw/zinc/06/18/80/641061880.db2.gz ZFWHKACWXOIBTG-GMTAPVOTSA-N 0 1 253.298 2.308 20 5 CEBDMN COC(=O)CC1(NCc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000846027543 641156631 /nfs/dbraw/zinc/15/66/31/641156631.db2.gz QUSLMSNLTOZVRA-UHFFFAOYSA-N 0 1 298.726 2.434 20 5 CEBDMN C[C@@H]1C[C@H](OC(=O)c2ccc([N+](=O)[O-])[nH]2)CC(C)(C)C1=O ZINC000847933568 641839043 /nfs/dbraw/zinc/83/90/43/641839043.db2.gz VHPYSQYSGAPMSC-BDAKNGLRSA-N 0 1 294.307 2.474 20 5 CEBDMN CCc1nc([C@H](C)OC(=O)c2ccc([N+](=O)[O-])s2)n[nH]1 ZINC000849622838 642370984 /nfs/dbraw/zinc/37/09/84/642370984.db2.gz AJNOISIYIZXEGI-LURJTMIESA-N 0 1 296.308 2.255 20 5 CEBDMN Cc1ccc([N+](=O)[O-])c(C)c1CN(C)C[C@H]1COCCO1 ZINC000877629095 650822064 /nfs/dbraw/zinc/82/20/64/650822064.db2.gz QDZTZRNFCBZUFX-ZDUSSCGKSA-N 0 1 294.351 2.059 20 5 CEBDMN C[C@H](NC[C@H](O)c1ccccn1)c1ccccc1[N+](=O)[O-] ZINC000851907315 643219596 /nfs/dbraw/zinc/21/95/96/643219596.db2.gz SNDKSNZSAVJYLI-NHYWBVRUSA-N 0 1 287.319 2.374 20 5 CEBDMN C[C@@]12COC[C@@H]1CN(Cc1cc(F)ccc1[N+](=O)[O-])C2 ZINC000852535039 643462936 /nfs/dbraw/zinc/46/29/36/643462936.db2.gz UEFBQAQOWIDYFJ-SMDDNHRTSA-N 0 1 280.299 2.202 20 5 CEBDMN O=[N+]([O-])c1cnn(CN(CCC2CC2)CC2CC2)c1 ZINC000853607865 643832590 /nfs/dbraw/zinc/83/25/90/643832590.db2.gz XIDCGAAKONEFDF-UHFFFAOYSA-N 0 1 264.329 2.261 20 5 CEBDMN CC1(C)C[C@@H](O)CN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000877753464 650896935 /nfs/dbraw/zinc/89/69/35/650896935.db2.gz POTIIFHDWPYSHC-CYBMUJFWSA-N 0 1 264.325 2.188 20 5 CEBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@H]1c1ccc(F)cc1 ZINC000839487708 644239540 /nfs/dbraw/zinc/23/95/40/644239540.db2.gz LQVCBOGJOFFGAB-FRRDWIJNSA-N 0 1 278.283 2.154 20 5 CEBDMN Cc1ccccc1CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CC1 ZINC000839510132 644245741 /nfs/dbraw/zinc/24/57/41/644245741.db2.gz XFWJYUINOMMIBQ-ZIAGYGMSSA-N 0 1 274.320 2.151 20 5 CEBDMN O=C(NCc1c(Cl)cccc1Cl)[C@@H]1CC1[N+](=O)[O-] ZINC000839510341 644245748 /nfs/dbraw/zinc/24/57/48/644245748.db2.gz DYDJTJXYKXTSFL-LHLIQPBNSA-N 0 1 289.118 2.275 20 5 CEBDMN CC(C)OCc1ccc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 ZINC000839573356 644746785 /nfs/dbraw/zinc/74/67/85/644746785.db2.gz AEJVCWPDMOPBSG-CHWSQXEVSA-N 0 1 278.308 2.215 20 5 CEBDMN O=C(NCCCc1cccc(Cl)c1)[C@@H]1CC1[N+](=O)[O-] ZINC000839606038 644753740 /nfs/dbraw/zinc/75/37/40/644753740.db2.gz ZKYUINOUVVONFY-VXGBXAGGSA-N 0 1 282.727 2.054 20 5 CEBDMN CC(C)CC(CC(C)C)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839652873 644763040 /nfs/dbraw/zinc/76/30/40/644763040.db2.gz QOLGALNKIILQDR-VXGBXAGGSA-N 0 1 256.346 2.229 20 5 CEBDMN C[C@H]1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])[C@@H](c2ccco2)C1 ZINC000839693100 644775670 /nfs/dbraw/zinc/77/56/70/644775670.db2.gz BPDONKTYHNKKMN-IRCOFANPSA-N 0 1 278.308 2.244 20 5 CEBDMN CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839694045 644776476 /nfs/dbraw/zinc/77/64/76/644776476.db2.gz XGIYMONAZCRDOV-RBSFLKMASA-N 0 1 290.363 2.440 20 5 CEBDMN Cc1ccccc1C[C@H]1CCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839683430 644784182 /nfs/dbraw/zinc/78/41/82/644784182.db2.gz OKXJPUNNPDGYIE-RBSFLKMASA-N 0 1 288.347 2.194 20 5 CEBDMN CCCCn1ncc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1C(C)C ZINC000839733708 644785553 /nfs/dbraw/zinc/78/55/53/644785553.db2.gz MSQVQJJZFLDCHN-ZYHUDNBSSA-N 0 1 294.355 2.410 20 5 CEBDMN CCO[C@H]1C[C@H](OC(=O)c2ccc([N+](=O)[O-])[nH]2)C12CCC2 ZINC000763585499 645559382 /nfs/dbraw/zinc/55/93/82/645559382.db2.gz QQBFMDQHTIQWGE-QWRGUYRKSA-N 0 1 294.307 2.427 20 5 CEBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NC[C@H](O)C(F)(F)F ZINC000765290456 645752976 /nfs/dbraw/zinc/75/29/76/645752976.db2.gz KDIRTUITARWRTG-KCJUWKMLSA-N 0 1 292.257 2.477 20 5 CEBDMN COC(=O)C1=CC[C@H](NCc2ccc([N+](=O)[O-])cc2F)C1 ZINC000862466141 646470233 /nfs/dbraw/zinc/47/02/33/646470233.db2.gz NUICAMRLWYIGPJ-NSHDSACASA-N 0 1 294.282 2.085 20 5 CEBDMN CSCC[C@@H](C)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000780531707 647440046 /nfs/dbraw/zinc/44/00/46/647440046.db2.gz GIGMKBXXZLSQHR-MRVPVSSYSA-N 0 1 284.337 2.172 20 5 CEBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1C[C@H]2C[C@@]2(CO)C1 ZINC000782636752 647647863 /nfs/dbraw/zinc/64/78/63/647647863.db2.gz YJZPKZDGUZFALU-ZOWXZIJZSA-N 0 1 276.336 2.278 20 5 CEBDMN C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])NCc1ccon1 ZINC000866277572 647712690 /nfs/dbraw/zinc/71/26/90/647712690.db2.gz FJFSVJVLLOIOIG-VIFPVBQESA-N 0 1 279.271 2.443 20 5 CEBDMN CCC(CC)NC(=O)[C@@](C)(N)c1cccc([N+](=O)[O-])c1 ZINC000867943371 647996128 /nfs/dbraw/zinc/99/61/28/647996128.db2.gz SUBZLNZNIXKEDS-AWEZNQCLSA-N 0 1 279.340 2.074 20 5 CEBDMN CC(C)CCCNC(=O)[C@](C)(N)c1cccc([N+](=O)[O-])c1 ZINC000867945058 647997378 /nfs/dbraw/zinc/99/73/78/647997378.db2.gz PDRGISHWNUNEGE-OAHLLOKOSA-N 0 1 293.367 2.321 20 5 CEBDMN C[C@](N)(C(=O)NCCC1(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000867974116 648006835 /nfs/dbraw/zinc/00/68/35/648006835.db2.gz PKTVQJBSSQRBFU-OAHLLOKOSA-N 0 1 291.351 2.075 20 5 CEBDMN O=C(Nc1cc(F)ccc1NC1CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000870203436 648726289 /nfs/dbraw/zinc/72/62/89/648726289.db2.gz GMNMMPHMPIRDHB-BXKDBHETSA-N 0 1 279.271 2.004 20 5 CEBDMN C[C@H](NCCCCO)c1c(F)cccc1[N+](=O)[O-] ZINC000872066687 649260863 /nfs/dbraw/zinc/26/08/63/649260863.db2.gz JTCZBRNCVXROLF-VIFPVBQESA-N 0 1 256.277 2.157 20 5 CEBDMN C[C@@H](NC[C@@]1(C)CCC(=O)N1)c1c(F)cccc1[N+](=O)[O-] ZINC000872077638 649265445 /nfs/dbraw/zinc/26/54/45/649265445.db2.gz KNSJSRJKSKVBLR-YMTOWFKASA-N 0 1 295.314 2.053 20 5 CEBDMN C[C@@H](NCC[C@H](O)C(F)F)c1c(F)cccc1[N+](=O)[O-] ZINC000872090360 649270383 /nfs/dbraw/zinc/27/03/83/649270383.db2.gz BOWTWYAWKNKJEC-XCBNKYQSSA-N 0 1 292.257 2.401 20 5 CEBDMN CCN(CC)C(=O)CNCc1c(C)ccc([N+](=O)[O-])c1C ZINC000873023705 649534320 /nfs/dbraw/zinc/53/43/20/649534320.db2.gz STNORECYNWUDKE-UHFFFAOYSA-N 0 1 293.367 2.170 20 5 CEBDMN CCN1CC[C@@H]1CNC(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000879123067 651246954 /nfs/dbraw/zinc/24/69/54/651246954.db2.gz ZJLFWGCDJADCAU-GFCCVEGCSA-N 0 1 292.339 2.119 20 5 CEBDMN CCN1CC[C@H]1CNC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000879229169 651265311 /nfs/dbraw/zinc/26/53/11/651265311.db2.gz SEVMGHDMWKXYAI-LBPRGKRZSA-N 0 1 292.339 2.119 20 5 CEBDMN Cc1ccc(CN[C@H](C)C(=O)NC(C)(C)C)cc1[N+](=O)[O-] ZINC000131444492 652427547 /nfs/dbraw/zinc/42/75/47/652427547.db2.gz DMLLHLVUHGXXKA-LLVKDONJSA-N 0 1 293.367 2.296 20 5 CEBDMN O=[N+]([O-])c1cnn(CN2CCC[C@H]2C2CCCC2)c1 ZINC000127764421 806540490 /nfs/dbraw/zinc/54/04/90/806540490.db2.gz YZQQGWXLOKUTSB-ZDUSSCGKSA-N 0 1 264.329 2.403 20 5 CEBDMN CO[C@@H]1CCOC[C@H]1N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000724879749 803330499 /nfs/dbraw/zinc/33/04/99/803330499.db2.gz JBDTXVADAMHKKP-MPKXVKKWSA-N 0 1 280.324 2.049 20 5 CEBDMN CCCNC(=O)[C@H](C)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000036959538 814953686 /nfs/dbraw/zinc/95/36/86/814953686.db2.gz TXFXUMAHNOHRLH-MNOVXSKESA-N 0 1 279.340 2.160 20 5 CEBDMN O=[N+]([O-])c1cccc(O[C@H]2CN3CCC2CC3)c1F ZINC001225793989 805299990 /nfs/dbraw/zinc/29/99/90/805299990.db2.gz GKMOJVNOXWMCHM-LBPRGKRZSA-N 0 1 266.272 2.207 20 5 CEBDMN CC(C)(O)[C@@H]1CC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000721787751 805417692 /nfs/dbraw/zinc/41/76/92/805417692.db2.gz JCIUKGQLPYXKRZ-LLVKDONJSA-N 0 1 282.315 2.327 20 5 CEBDMN CC(C)(O)[C@@H]1CCN(Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000721787751 805417697 /nfs/dbraw/zinc/41/76/97/805417697.db2.gz JCIUKGQLPYXKRZ-LLVKDONJSA-N 0 1 282.315 2.327 20 5 CEBDMN CCOc1nc(NC2CN(C(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC001162225940 809247092 /nfs/dbraw/zinc/24/70/92/809247092.db2.gz LWBYYFQAEKUAFC-UHFFFAOYSA-N 0 1 294.355 2.283 20 5 CEBDMN CCN1CC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000712334644 811193391 /nfs/dbraw/zinc/19/33/91/811193391.db2.gz VRRPNFVDWARBOE-JTQLQIEISA-N 0 1 297.742 2.072 20 5 CEBDMN O=[N+]([O-])C[C@@H]1CC[C@@H](NC2(c3ccc(F)cc3)COC2)C1 ZINC001168990411 811340003 /nfs/dbraw/zinc/34/00/03/811340003.db2.gz CMACNKVUKOQGMK-BXUZGUMPSA-N 0 1 294.326 2.086 20 5 CEBDMN COc1ccc(C[C@@H](C)N2CC=CC2)c([N+](=O)[O-])c1 ZINC001170329746 812389488 /nfs/dbraw/zinc/38/94/88/812389488.db2.gz SXIXKUBSDHWDSU-LLVKDONJSA-N 0 1 262.309 2.406 20 5 CEBDMN O=[N+]([O-])c1ccc2c(c1)CC[C@H](N1CCO[C@H]3C[C@H]31)CC2 ZINC001172919179 815544756 /nfs/dbraw/zinc/54/47/56/815544756.db2.gz FEBKXGSREWZQFA-BMFZPTHFSA-N 0 1 288.347 2.315 20 5 CEBDMN CC[C@](N)(CO)Nc1cc2cccnc2c2ncccc12 ZINC001170865092 813561174 /nfs/dbraw/zinc/56/11/74/813561174.db2.gz YMDZHSQWHLRUKZ-MRXNPFEDSA-N 0 1 282.347 2.252 20 5 CEBDMN CC[C@H](C(=O)Nc1cc(C)cc([N+](=O)[O-])c1)N(C)C ZINC001124044327 815591593 /nfs/dbraw/zinc/59/15/93/815591593.db2.gz RXVQZTWNAKKOOV-GFCCVEGCSA-N 0 1 265.313 2.182 20 5 CEBDMN Cn1ncc2c1CCC[C@H]2NCc1ccc([N+](=O)[O-])cc1 ZINC000035274155 361819667 /nfs/dbraw/zinc/81/96/67/361819667.db2.gz NHFRTCPJSDCPRR-CQSZACIVSA-N 0 1 286.335 2.496 20 5 CEBDMN CCNC(=O)[C@@H](C)N[C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000036794870 361859696 /nfs/dbraw/zinc/85/96/96/361859696.db2.gz NPZXMVANNWGKSE-ZWNOBZJWSA-N 0 1 279.340 2.160 20 5 CEBDMN CCNC(=O)[C@H](C)N[C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000036794866 361859703 /nfs/dbraw/zinc/85/97/03/361859703.db2.gz NPZXMVANNWGKSE-GXFFZTMASA-N 0 1 279.340 2.160 20 5 CEBDMN C[C@@H]1CCC2=NN(c3ccc([N+](=O)[O-])cn3)C(=O)[C@@H]2C1 ZINC000601931456 346929443 /nfs/dbraw/zinc/92/94/43/346929443.db2.gz FKAXGAFVSMEICN-PSASIEDQSA-N 0 1 274.280 2.129 20 5 CEBDMN C[C@@H]1CCc2c(=O)n(-c3ccc([N+](=O)[O-])cc3)[nH]c21 ZINC000601935742 346931262 /nfs/dbraw/zinc/93/12/62/346931262.db2.gz XIDQHDSVJNCOFJ-KCJUWKMLSA-N 0 1 259.265 2.344 20 5 CEBDMN COc1cc([N+](=O)[O-])ccc1N1N=C2CCCC[C@H]2C1=O ZINC000601934782 346931355 /nfs/dbraw/zinc/93/13/55/346931355.db2.gz FOLUTDPAKYYBJK-SNVBAGLBSA-N 0 1 289.291 2.496 20 5 CEBDMN COc1cc([N+](=O)[O-])ccc1-n1[nH]c2c(c1=O)CCCC2 ZINC000601934782 346931358 /nfs/dbraw/zinc/93/13/58/346931358.db2.gz FOLUTDPAKYYBJK-SNVBAGLBSA-N 0 1 289.291 2.496 20 5 CEBDMN CN(C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)C1CCCC1 ZINC000046330777 362181115 /nfs/dbraw/zinc/18/11/15/362181115.db2.gz LQLIPWMZGDGRLV-UHFFFAOYSA-N 0 1 288.307 2.486 20 5 CEBDMN Cc1cc([N+](=O)[O-])ccc1-n1[nH]c([C@H]2CCOC2)cc1=O ZINC000601943142 346935973 /nfs/dbraw/zinc/93/59/73/346935973.db2.gz PFLFPSQWUAAOAJ-JTQLQIEISA-N 0 1 289.291 2.032 20 5 CEBDMN C[C@@H]1CCCN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000028903715 343397948 /nfs/dbraw/zinc/39/79/48/343397948.db2.gz ABKPVUUETFDCKF-GFCCVEGCSA-N 0 1 291.351 2.290 20 5 CEBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCCCC[C@@H]1c1ccncc1 ZINC000044525274 343473357 /nfs/dbraw/zinc/47/33/57/343473357.db2.gz VJNWTSKXYAINRC-MCIONIFRSA-N 0 1 289.335 2.191 20 5 CEBDMN O=C([O-])C12CCC(CC1)[N@H+]2Cc1ccc([N+](=O)[O-])cc1 ZINC000601962606 346944445 /nfs/dbraw/zinc/94/44/45/346944445.db2.gz GMOCTYNJFPMRED-UHFFFAOYSA-N 0 1 276.292 2.176 20 5 CEBDMN Cc1ccc(C[N@H+]2CCC[C@H](C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000602019164 346961712 /nfs/dbraw/zinc/96/17/12/346961712.db2.gz CZHZSXAPJYBSQG-LBPRGKRZSA-N 0 1 278.308 2.200 20 5 CEBDMN O=C([C@@H]1C[C@H]1c1cnc[nH]1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000602102352 346974568 /nfs/dbraw/zinc/97/45/68/346974568.db2.gz HLCNVCXPNZRFRF-GHMZBOCLSA-N 0 1 298.302 2.011 20 5 CEBDMN Cc1ccc(CN2CCC(CO)CC2)cc1[N+](=O)[O-] ZINC000127061001 187279874 /nfs/dbraw/zinc/27/98/74/187279874.db2.gz RNXPCULBAVRYNL-UHFFFAOYSA-N 0 1 264.325 2.108 20 5 CEBDMN CCc1nnc(SCCOc2ccc([N+](=O)[O-])cc2)[nH]1 ZINC000049372600 362356497 /nfs/dbraw/zinc/35/64/97/362356497.db2.gz NGSRLQJGNYDPKD-UHFFFAOYSA-N 0 1 294.336 2.446 20 5 CEBDMN CCc1n[nH]c(SCCOc2ccc([N+](=O)[O-])cc2)n1 ZINC000049372600 362356502 /nfs/dbraw/zinc/35/65/02/362356502.db2.gz NGSRLQJGNYDPKD-UHFFFAOYSA-N 0 1 294.336 2.446 20 5 CEBDMN CN(Cc1cn(C)nc1[N+](=O)[O-])C1CCCCC1 ZINC000602429303 347029516 /nfs/dbraw/zinc/02/95/16/347029516.db2.gz PIDWHZHGZCLGKH-UHFFFAOYSA-N 0 1 252.318 2.093 20 5 CEBDMN CN(CCOCC1CC1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000093818452 344230083 /nfs/dbraw/zinc/23/00/83/344230083.db2.gz GWNHUIYZFSBBSH-UHFFFAOYSA-N 0 1 280.324 2.159 20 5 CEBDMN COC[C@@H](C)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000049963108 362388032 /nfs/dbraw/zinc/38/80/32/362388032.db2.gz HEDXJGKPDGLDCF-MRVPVSSYSA-N 0 1 258.705 2.373 20 5 CEBDMN Cc1cc([N+](=O)[O-])ccc1-c1nc([C@@H]2CCCN2)no1 ZINC000228560513 344560905 /nfs/dbraw/zinc/56/09/05/344560905.db2.gz PCGDKYJEVLWMGI-NSHDSACASA-N 0 1 274.280 2.378 20 5 CEBDMN CN[C@H](C)c1cn(Cc2ccc(Cl)cc2[N+](=O)[O-])nn1 ZINC000313449733 344742388 /nfs/dbraw/zinc/74/23/88/344742388.db2.gz BVIDKJUBJOFYGH-MRVPVSSYSA-N 0 1 295.730 2.168 20 5 CEBDMN C[C@@H](CO)NCc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602563000 347079037 /nfs/dbraw/zinc/07/90/37/347079037.db2.gz LAWSSDGGNMJYJO-ZETCQYMHSA-N 0 1 278.230 2.084 20 5 CEBDMN CCOc1ccc([N+](=O)[O-])cc1CN(C)C1(CO)CCC1 ZINC000590019449 345110898 /nfs/dbraw/zinc/11/08/98/345110898.db2.gz YJSUFFDEEGWYQI-UHFFFAOYSA-N 0 1 294.351 2.340 20 5 CEBDMN O=C(NC1(C(F)(F)F)CC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000590912967 345198459 /nfs/dbraw/zinc/19/84/59/345198459.db2.gz CBEQMYKHTROIEP-UHFFFAOYSA-N 0 1 290.197 2.125 20 5 CEBDMN COc1cccc(-c2nc([C@@H]3CCCN3)no2)c1[N+](=O)[O-] ZINC000592357199 345345122 /nfs/dbraw/zinc/34/51/22/345345122.db2.gz TYVCLCWKCAWIRA-VIFPVBQESA-N 0 1 290.279 2.078 20 5 CEBDMN Cc1[nH]nc(C(=O)N2CCCC[C@H]2C2CCC2)c1[N+](=O)[O-] ZINC000592920913 345414845 /nfs/dbraw/zinc/41/48/45/345414845.db2.gz GBBIMUITBNUFGQ-NSHDSACASA-N 0 1 292.339 2.421 20 5 CEBDMN C[C@@H](C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1)C(=O)[O-] ZINC000593749171 345532755 /nfs/dbraw/zinc/53/27/55/345532755.db2.gz ACRWWMCJHNUXMM-JTQLQIEISA-N 0 1 278.308 2.280 20 5 CEBDMN CO[C@@H](CN(C)Cc1ccccc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000595288272 345754697 /nfs/dbraw/zinc/75/46/97/345754697.db2.gz MRDPXSQBBKJWKM-ZFWWWQNUSA-N 0 1 294.351 2.078 20 5 CEBDMN CN(CCCCCO)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595470041 345791453 /nfs/dbraw/zinc/79/14/53/345791453.db2.gz ZLQSWKCRMMQEJP-UHFFFAOYSA-N 0 1 270.304 2.328 20 5 CEBDMN Cc1noc(CN2CCCCC[C@@H]2C[C@H](C)O)c1[N+](=O)[O-] ZINC000595490157 345794573 /nfs/dbraw/zinc/79/45/73/345794573.db2.gz DSTIKDJOQYSJAB-CMPLNLGQSA-N 0 1 297.355 2.407 20 5 CEBDMN COC[C@@H]1CCCN(Cc2onc(C)c2[N+](=O)[O-])CC1 ZINC000595522218 345803487 /nfs/dbraw/zinc/80/34/87/345803487.db2.gz JPMSGGDPJRPFFM-LLVKDONJSA-N 0 1 283.328 2.140 20 5 CEBDMN O=[N+]([O-])c1ccc([O-])cc1C[N@@H+](C1CC1)C1(CO)CCC1 ZINC000595533529 345804702 /nfs/dbraw/zinc/80/47/02/345804702.db2.gz KYSPHNPKUCGCOI-UHFFFAOYSA-N 0 1 292.335 2.180 20 5 CEBDMN C[C@H](CO)[C@H]1CCCC[N@H+]1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000595674587 345845026 /nfs/dbraw/zinc/84/50/26/345845026.db2.gz LUKAVKWFWKPAAY-BXUZGUMPSA-N 0 1 294.351 2.283 20 5 CEBDMN COc1ccc([N+](=O)[O-])cc1CN1C[C@@H](C)C(O)[C@H](C)C1 ZINC000595752316 345866665 /nfs/dbraw/zinc/86/66/65/345866665.db2.gz XFHVFQIBCPVFOQ-GHMZBOCLSA-N 0 1 294.351 2.052 20 5 CEBDMN COc1cc(CN2CC[C@@H](C)[C@H](CO)C2)ccc1[N+](=O)[O-] ZINC000598649149 346393450 /nfs/dbraw/zinc/39/34/50/346393450.db2.gz WPUSZKJMHNKURK-YPMHNXCESA-N 0 1 294.351 2.054 20 5 CEBDMN C[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCN1 ZINC000598915754 346433981 /nfs/dbraw/zinc/43/39/81/346433981.db2.gz NYLLDEPDOJVPID-MRVPVSSYSA-N 0 1 298.730 2.074 20 5 CEBDMN CCO[C@@]1(C)C[C@H]1NCc1ccc([N+](=O)[O-])cc1F ZINC000598996275 346444073 /nfs/dbraw/zinc/44/40/73/346444073.db2.gz FKCDOXIEZHVSCW-OLZOCXBDSA-N 0 1 268.288 2.391 20 5 CEBDMN CO[C@H]1C[C@H](Nc2cc(C)nc3ccc([N+](=O)[O-])cc32)C1 ZINC000599190376 346476903 /nfs/dbraw/zinc/47/69/03/346476903.db2.gz XZTCTIFWTDCGCK-UMSPYCQHSA-N 0 1 287.319 2.463 20 5 CEBDMN C[C@H]1C[C@@H](Nc2ncc(F)cc2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000601127227 346761433 /nfs/dbraw/zinc/76/14/33/346761433.db2.gz CJXWFJDEZMKLPY-WCBMZHEXSA-N 0 1 280.303 2.166 20 5 CEBDMN C[C@@H](NCc1cn(C)nc1[N+](=O)[O-])c1ccccc1 ZINC000602803354 347205990 /nfs/dbraw/zinc/20/59/90/347205990.db2.gz XEDYMXNCSNKTMT-SNVBAGLBSA-N 0 1 260.297 2.179 20 5 CEBDMN Cc1ccc(CN(CCn2cc([N+](=O)[O-])cn2)C2CC2)o1 ZINC000610447439 347682048 /nfs/dbraw/zinc/68/20/48/347682048.db2.gz MLABPOANUARYKJ-UHFFFAOYSA-N 0 1 290.323 2.357 20 5 CEBDMN Cc1ncc([N+](=O)[O-])n1CCN(C)Cc1cccs1 ZINC000610782744 347714287 /nfs/dbraw/zinc/71/42/87/347714287.db2.gz VNGVYMJAQNXFSP-UHFFFAOYSA-N 0 1 280.353 2.293 20 5 CEBDMN CCc1[nH]nc(C(=O)N(CC)Cc2ccoc2)c1[N+](=O)[O-] ZINC000611202737 347750803 /nfs/dbraw/zinc/75/08/03/347750803.db2.gz BMBFWBWOYQDGDB-UHFFFAOYSA-N 0 1 292.295 2.136 20 5 CEBDMN O=C(Nc1ccc2nccn2c1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000611556589 347794038 /nfs/dbraw/zinc/79/40/38/347794038.db2.gz OWNUBNYZJDYGAE-UHFFFAOYSA-N 0 1 298.258 2.200 20 5 CEBDMN CCN1CCN(c2nc(C)cc(C)c2[N+](=O)[O-])C[C@H]1C ZINC000611617396 347799656 /nfs/dbraw/zinc/79/96/56/347799656.db2.gz MYVVHCBBXPQLKD-GFCCVEGCSA-N 0 1 278.356 2.137 20 5 CEBDMN COc1cc(CN2CCC[C@@H](CCO)C2)ccc1[N+](=O)[O-] ZINC000611515903 347789013 /nfs/dbraw/zinc/78/90/13/347789013.db2.gz QTNFZTRFXHWCFA-LBPRGKRZSA-N 0 1 294.351 2.198 20 5 CEBDMN CCN(Cc1c([N+](=O)[O-])ncn1C)[C@H]1CCOC(C)(C)C1 ZINC000351926635 219251252 /nfs/dbraw/zinc/25/12/52/219251252.db2.gz OWZLAHJGAZEVOE-NSHDSACASA-N 0 1 296.371 2.108 20 5 CEBDMN C[C@H](C(=O)[O-])[N@@H+](CCc1ccc([N+](=O)[O-])cc1)C1CCC1 ZINC000568770223 299152516 /nfs/dbraw/zinc/15/25/16/299152516.db2.gz XSKMEZSKFRCLKR-LLVKDONJSA-N 0 1 292.335 2.465 20 5 CEBDMN NC(=O)C[C@H](NCc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000339533149 215232612 /nfs/dbraw/zinc/23/26/12/215232612.db2.gz CTCDKSAGAVTMNV-HNNXBMFYSA-N 0 1 299.330 2.301 20 5 CEBDMN Cc1csc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)n1 ZINC000357808333 233149907 /nfs/dbraw/zinc/14/99/07/233149907.db2.gz SKSFERIBRCJFOP-UHFFFAOYSA-N 0 1 279.277 2.318 20 5 CEBDMN COc1cc([N+](=O)[O-])ccc1CN1CCC[C@H](CCO)C1 ZINC000619531341 349194633 /nfs/dbraw/zinc/19/46/33/349194633.db2.gz QAJFAWOVDISILD-GFCCVEGCSA-N 0 1 294.351 2.198 20 5 CEBDMN COc1cc([N+](=O)[O-])ccc1CN(CCO)CC(C)(C)C ZINC000619531595 349194792 /nfs/dbraw/zinc/19/47/92/349194792.db2.gz LRIYONYIOVGFCI-UHFFFAOYSA-N 0 1 296.367 2.444 20 5 CEBDMN Cn1cnc([N+](=O)[O-])c1CN1CCSC2(CCC2)CC1 ZINC000411867472 233293483 /nfs/dbraw/zinc/29/34/83/233293483.db2.gz IWRYDLKAAVKHPX-UHFFFAOYSA-N 0 1 296.396 2.190 20 5 CEBDMN C[C@@H]1CCC[C@H]1NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000104616483 186010420 /nfs/dbraw/zinc/01/04/20/186010420.db2.gz LAUPMYQPSSSFJE-LDYMZIIASA-N 0 1 288.307 2.390 20 5 CEBDMN C[C@H](C[NH2+]Cc1ccccc1[N+](=O)[O-])N(C)C1CC1 ZINC000105489224 186060351 /nfs/dbraw/zinc/06/03/51/186060351.db2.gz YTQYPBOXPIKYGU-LLVKDONJSA-N 0 1 263.341 2.167 20 5 CEBDMN C[C@@H]1CC[N@@H+](Cc2csc([N+](=O)[O-])c2)C[C@H]1C(=O)[O-] ZINC000569120524 299182938 /nfs/dbraw/zinc/18/29/38/299182938.db2.gz XYKHOVBCHBLNBT-PSASIEDQSA-N 0 1 284.337 2.199 20 5 CEBDMN CC[N@@H+](CCNc1cc(C(=O)[O-])ccc1[N+](=O)[O-])C(C)C ZINC000569122406 299183292 /nfs/dbraw/zinc/18/32/92/299183292.db2.gz HKIISBSDHFCWNI-UHFFFAOYSA-N 0 1 295.339 2.435 20 5 CEBDMN Cc1c([C@H](C)NCc2ccnn2C)cccc1[N+](=O)[O-] ZINC000152193863 188000830 /nfs/dbraw/zinc/00/08/30/188000830.db2.gz WAHVAWNUADEGLC-NSHDSACASA-N 0 1 274.324 2.488 20 5 CEBDMN CC[C@H]1CCCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000157314221 188309871 /nfs/dbraw/zinc/30/98/71/188309871.db2.gz ILVKJDNDJZJYGP-NSHDSACASA-N 0 1 252.318 2.056 20 5 CEBDMN O=[N+]([O-])c1ccccc1CN1CCC2(CC1)OCCCO2 ZINC000293185599 198553182 /nfs/dbraw/zinc/55/31/82/198553182.db2.gz WWFPVOFQLQKKPF-UHFFFAOYSA-N 0 1 292.335 2.324 20 5 CEBDMN Cc1cc(C[C@@H](C)Nc2nc(C)ccc2[N+](=O)[O-])[nH]n1 ZINC000133493160 366229766 /nfs/dbraw/zinc/22/97/66/366229766.db2.gz NDSFOCAHIJHWQK-SECBINFHSA-N 0 1 275.312 2.373 20 5 CEBDMN CC1=CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1 ZINC000272708623 191877499 /nfs/dbraw/zinc/87/74/99/191877499.db2.gz WWELUJRFJRSOCS-UHFFFAOYSA-N 0 1 262.265 2.093 20 5 CEBDMN COc1ccc(NC(=O)[C@H](C(C)C)N(C)C)cc1[N+](=O)[O-] ZINC000272839636 191940557 /nfs/dbraw/zinc/94/05/57/191940557.db2.gz GMCAGKJHMRJZQU-ZDUSSCGKSA-N 0 1 295.339 2.128 20 5 CEBDMN Cc1c([C@H](C)N[C@@H]2CCCCNC2=O)cccc1[N+](=O)[O-] ZINC000134080962 366283311 /nfs/dbraw/zinc/28/33/11/366283311.db2.gz KMQFZTHMUIJHDM-WCQYABFASA-N 0 1 291.351 2.223 20 5 CEBDMN Cc1cnc(CN(C)CCc2cccc([N+](=O)[O-])c2)cn1 ZINC000338390977 366336640 /nfs/dbraw/zinc/33/66/40/366336640.db2.gz YQVOQEAUGXNFAA-UHFFFAOYSA-N 0 1 286.335 2.368 20 5 CEBDMN C[C@H]1CC[N@@H+](Cc2ccccc2[N+](=O)[O-])C[C@@H]1C(=O)[O-] ZINC000570514527 299261429 /nfs/dbraw/zinc/26/14/29/299261429.db2.gz OZSYFKOPEYKYCG-JQWIXIFHSA-N 0 1 278.308 2.137 20 5 CEBDMN C[C@]1(C(=O)[O-])CCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000079489270 363608602 /nfs/dbraw/zinc/60/86/02/363608602.db2.gz AVOHADZVNORNSC-CQSZACIVSA-N 0 1 278.308 2.076 20 5 CEBDMN Cc1ccc([C@H](C)NCC(=O)NCC(C)C)cc1[N+](=O)[O-] ZINC000135741684 366471920 /nfs/dbraw/zinc/47/19/20/366471920.db2.gz YAPCWEFDQSCYLG-LBPRGKRZSA-N 0 1 293.367 2.326 20 5 CEBDMN COc1cccc([N+](=O)[O-])c1N1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000570985965 299288591 /nfs/dbraw/zinc/28/85/91/299288591.db2.gz WQKHYJCFVNGKOZ-PHIMTYICSA-N 0 1 279.340 2.132 20 5 CEBDMN C[C@@H]1C[C@@H](NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@H](C)O1 ZINC000296842927 200012898 /nfs/dbraw/zinc/01/28/98/200012898.db2.gz OIJVAOBCXSLYKY-VDDIYKPWSA-N 0 1 290.323 2.127 20 5 CEBDMN Cc1nn(C)cc1CN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000148890995 366585465 /nfs/dbraw/zinc/58/54/65/366585465.db2.gz BUYATESCFUSSMT-SNVBAGLBSA-N 0 1 274.324 2.488 20 5 CEBDMN Cc1[nH]ncc1CNC(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000338980085 366599377 /nfs/dbraw/zinc/59/93/77/366599377.db2.gz DRFDHHIFXXTUER-UHFFFAOYSA-N 0 1 289.295 2.256 20 5 CEBDMN CC[C@@H](C(=O)Nc1cc([N+](=O)[O-])c(C)cc1C)N(C)C ZINC000298248496 200370952 /nfs/dbraw/zinc/37/09/52/200370952.db2.gz MRBQOHIOEGFQKE-LBPRGKRZSA-N 0 1 279.340 2.490 20 5 CEBDMN C[C@@H]1CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)[C@H]1C ZINC000177054992 189024508 /nfs/dbraw/zinc/02/45/08/189024508.db2.gz IJBFPKPZWDTCOY-BDAKNGLRSA-N 0 1 288.307 2.342 20 5 CEBDMN COc1cc(CN[C@H]2C[C@H]2C(F)F)c([N+](=O)[O-])cc1O ZINC000342218545 216264674 /nfs/dbraw/zinc/26/46/74/216264674.db2.gz IPZCOZXMQIKJQL-SFYZADRCSA-N 0 1 288.250 2.052 20 5 CEBDMN CCN(CC(=O)Nc1cc([N+](=O)[O-])ccc1C)C1CC1 ZINC000029912132 361694177 /nfs/dbraw/zinc/69/41/77/361694177.db2.gz FBPXIWKHEAPGGQ-UHFFFAOYSA-N 0 1 277.324 2.326 20 5 CEBDMN O=[N+]([O-])c1ccccc1CNCCOC(F)(F)F ZINC000089051783 363927563 /nfs/dbraw/zinc/92/75/63/363927563.db2.gz KFROZEZGTFXNLQ-UHFFFAOYSA-N 0 1 264.203 2.221 20 5 CEBDMN C[C@@H](NC(=O)[C@@H](N)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000237333179 370711965 /nfs/dbraw/zinc/71/19/65/370711965.db2.gz UUEDCXGVJPSSBW-ABAIWWIYSA-N 0 1 299.330 2.472 20 5 CEBDMN C[C@@H](NC(=O)[C@H](N)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000237421900 370719624 /nfs/dbraw/zinc/71/96/24/370719624.db2.gz UUEDCXGVJPSSBW-IAQYHMDHSA-N 0 1 299.330 2.472 20 5 CEBDMN O=[N+]([O-])c1ccc(N[C@H]2CCN(Cc3ccccn3)C2)nc1 ZINC000118865964 365186959 /nfs/dbraw/zinc/18/69/59/365186959.db2.gz JPZUYIDPMBURII-ZDUSSCGKSA-N 0 1 299.334 2.071 20 5 CEBDMN COCC(COC)N[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000572355129 299361088 /nfs/dbraw/zinc/36/10/88/299361088.db2.gz XLGFASXLWDSKAK-LLVKDONJSA-N 0 1 282.340 2.215 20 5 CEBDMN Cc1cccc([C@@H](C)CNC(=O)c2n[nH]cc2[N+](=O)[O-])c1 ZINC000163897807 367271097 /nfs/dbraw/zinc/27/10/97/367271097.db2.gz XKRNUPDNQIKRJU-JTQLQIEISA-N 0 1 288.307 2.160 20 5 CEBDMN C[C@@H](C[S@](C)=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000168173110 367348247 /nfs/dbraw/zinc/34/82/47/367348247.db2.gz HJYNPCPDKDMJKV-DCXZOGHSSA-N 0 1 290.772 2.105 20 5 CEBDMN C[C@H]1CN(Cc2cccc([N+](=O)[O-])c2)CCCO1 ZINC000170766137 367409115 /nfs/dbraw/zinc/40/91/15/367409115.db2.gz GMDHIYRKMFVOIG-NSHDSACASA-N 0 1 250.298 2.206 20 5 CEBDMN COc1cc(CN2CC[C@H](C)[C@@H](OC)C2)ccc1[N+](=O)[O-] ZINC000342721532 367499409 /nfs/dbraw/zinc/49/94/09/367499409.db2.gz NKKKWSPZEQZCLT-NHYWBVRUSA-N 0 1 294.351 2.460 20 5 CEBDMN C[C@H]1CCCC[C@@H]1CCNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000343398525 367792455 /nfs/dbraw/zinc/79/24/55/367792455.db2.gz KAHWNACJYJTIDS-VHSXEESVSA-N 0 1 280.328 2.264 20 5 CEBDMN C[C@H](NC[C@H](O)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000173345113 367899467 /nfs/dbraw/zinc/89/94/67/367899467.db2.gz CJFXJWQURPMQSZ-XVKPBYJWSA-N 0 1 278.230 2.169 20 5 CEBDMN CC(C)SCCNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000345526948 368312437 /nfs/dbraw/zinc/31/24/37/368312437.db2.gz IFRZPMBTKIPIFJ-UHFFFAOYSA-N 0 1 284.337 2.172 20 5 CEBDMN CC[C@H](NCC(=O)NCC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000181547052 368468947 /nfs/dbraw/zinc/46/89/47/368468947.db2.gz FSZJSBIJGOHTOU-AWEZNQCLSA-N 0 1 291.351 2.162 20 5 CEBDMN C[C@@H](NCCn1ccc([N+](=O)[O-])n1)c1cccc(F)c1F ZINC000181951622 368509163 /nfs/dbraw/zinc/50/91/63/368509163.db2.gz TUQWZNCDVRWXHX-SECBINFHSA-N 0 1 296.277 2.420 20 5 CEBDMN O=[N+]([O-])c1cccc(-c2noc([C@H]3C[C@H]3c3nc[nH]n3)n2)c1 ZINC000349902024 369444250 /nfs/dbraw/zinc/44/42/50/369444250.db2.gz HZULPDWMWGGTPM-ZJUUUORDSA-N 0 1 298.262 2.034 20 5 CEBDMN C[C@@H]1CN(Cc2c([N+](=O)[O-])ncn2C)CC(C)(C)C1 ZINC000344027252 217014721 /nfs/dbraw/zinc/01/47/21/217014721.db2.gz KTEFTTSVUSFCOH-JTQLQIEISA-N 0 1 266.345 2.196 20 5 CEBDMN CC(=O)c1cc(N2CC[N@H+]3CCC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000252805543 371480922 /nfs/dbraw/zinc/48/09/22/371480922.db2.gz FWRXTIYLUCSSLM-ZDUSSCGKSA-N 0 1 289.335 2.082 20 5 CEBDMN CCOc1cc(CN2CC[C@@H](O)C2(C)C)ccc1[N+](=O)[O-] ZINC000361416511 371837498 /nfs/dbraw/zinc/83/74/98/371837498.db2.gz SQHIBRRYDORIND-CQSZACIVSA-N 0 1 294.351 2.339 20 5 CEBDMN CC(C)[C@@H](C)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000269143269 372355640 /nfs/dbraw/zinc/35/56/40/372355640.db2.gz OEMSIQCJMHGOAS-MRVPVSSYSA-N 0 1 252.270 2.075 20 5 CEBDMN C[C@H]1CCCCN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000269278344 372405168 /nfs/dbraw/zinc/40/51/68/372405168.db2.gz KELCFFMPTFPTIX-VIFPVBQESA-N 0 1 264.281 2.315 20 5 CEBDMN O=C(Nc1ccc2nc[nH]c2c1)c1ccc([N+](=O)[O-])o1 ZINC000344451031 217194559 /nfs/dbraw/zinc/19/45/59/217194559.db2.gz CDRWIDKLBLBAJZ-UHFFFAOYSA-N 0 1 272.220 2.316 20 5 CEBDMN C[C@H](O)C[C@H]1CCCN1Cc1ccc([N+](=O)[O-])cc1F ZINC000269868991 372583248 /nfs/dbraw/zinc/58/32/48/372583248.db2.gz YDSHJYKIQMTJKE-CMPLNLGQSA-N 0 1 282.315 2.469 20 5 CEBDMN C[C@]1(c2ccccc2)CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000365284820 372819139 /nfs/dbraw/zinc/81/91/39/372819139.db2.gz XILGPFWZZMGAGK-FMKPAKJESA-N 0 1 288.347 2.232 20 5 CEBDMN CC[C@H](NCc1ccc([N+](=O)[O-])cc1)[C@@H](O)C(F)(F)F ZINC000271002065 373058354 /nfs/dbraw/zinc/05/83/54/373058354.db2.gz QJDSJDOTSUEQCX-WDEREUQCSA-N 0 1 292.257 2.386 20 5 CEBDMN CCOc1ccc([N+](=O)[O-])cc1CN1CC[C@@H]([C@H](C)O)C1 ZINC000272654030 373602530 /nfs/dbraw/zinc/60/25/30/373602530.db2.gz ZYEREJDDZRIVHP-NWDGAFQWSA-N 0 1 294.351 2.196 20 5 CEBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC2(C1)CCCCCC2 ZINC000370215975 373607509 /nfs/dbraw/zinc/60/75/09/373607509.db2.gz NIEXRKXQNVCNFR-VXGBXAGGSA-N 0 1 266.341 2.225 20 5 CEBDMN CC1(C)CN(C(=O)[C@@H]2CC2[N+](=O)[O-])[C@H]1c1cccs1 ZINC000377097848 374788802 /nfs/dbraw/zinc/78/88/02/374788802.db2.gz FBOZHASXSWJHOM-YWVKMMECSA-N 0 1 280.349 2.323 20 5 CEBDMN O=[N+]([O-])c1ccccc1CN1CCC[C@@H](c2nnc[nH]2)C1 ZINC000378008648 375001139 /nfs/dbraw/zinc/00/11/39/375001139.db2.gz XUOHNSCTKKOPDD-GFCCVEGCSA-N 0 1 287.323 2.093 20 5 CEBDMN CC(C)NC(=O)[C@H](C)NC/C=C/c1ccccc1[N+](=O)[O-] ZINC000414541743 375844725 /nfs/dbraw/zinc/84/47/25/375844725.db2.gz JNVMNRZXHADXPG-WMADIVHISA-N 0 1 291.351 2.111 20 5 CEBDMN CN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])CC(C)(C)C ZINC000263721233 190075090 /nfs/dbraw/zinc/07/50/90/190075090.db2.gz BEFGIFAVDOLKGN-UHFFFAOYSA-N 0 1 279.340 2.172 20 5 CEBDMN CC(C)[C@H]1CN(Cc2cc(O)ccc2[N+](=O)[O-])CCO1 ZINC000330454923 377142194 /nfs/dbraw/zinc/14/21/94/377142194.db2.gz NQASUAYZSCKUGV-CQSZACIVSA-N 0 1 280.324 2.157 20 5 CEBDMN CCC[C@@H]1CCCN(Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000330999941 377232400 /nfs/dbraw/zinc/23/24/00/377232400.db2.gz ZWFARXXNZNBIMM-LLVKDONJSA-N 0 1 266.345 2.340 20 5 CEBDMN C[C@H](N[C@H]1CCN(C2CC2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000331438183 377429394 /nfs/dbraw/zinc/42/93/94/377429394.db2.gz DCIYLBUUPLXYBC-HZMBPMFUSA-N 0 1 289.335 2.009 20 5 CEBDMN C[C@@H]1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@]1(C)C(=O)[O-] ZINC000565111673 377565369 /nfs/dbraw/zinc/56/53/69/377565369.db2.gz NDKMEROPLUFLRF-ABAIWWIYSA-N 0 1 292.335 2.180 20 5 CEBDMN COc1ccc([N+](=O)[O-])cc1CN[C@H]1COCC1(C)C ZINC000313067926 249377295 /nfs/dbraw/zinc/37/72/95/249377295.db2.gz QPHZKLNGPKKQNH-ZDUSSCGKSA-N 0 1 280.324 2.118 20 5 CEBDMN CN(Cc1ccccn1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000295213185 378052862 /nfs/dbraw/zinc/05/28/62/378052862.db2.gz UWARHTWXQUYYLF-HNNXBMFYSA-N 0 1 287.319 2.155 20 5 CEBDMN C[C@H](NC(=O)CCc1cnc[nH]1)c1ccc([N+](=O)[O-])cc1 ZINC000295229217 378060620 /nfs/dbraw/zinc/06/06/20/378060620.db2.gz BLDMKSHABDLAIO-JTQLQIEISA-N 0 1 288.307 2.128 20 5 CEBDMN CCN(CC)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000298730482 378815467 /nfs/dbraw/zinc/81/54/67/378815467.db2.gz LEBWDXLHJLRDQY-SNVBAGLBSA-N 0 1 265.313 2.264 20 5 CEBDMN O=[N+]([O-])c1cnn(CCN2CCC[C@@H]2c2cccnc2)c1 ZINC000346989683 218081408 /nfs/dbraw/zinc/08/14/08/218081408.db2.gz SBOSEKCXAKVHBD-CQSZACIVSA-N 0 1 287.323 2.023 20 5 CEBDMN CC(=Cc1cccc([N+](=O)[O-])c1)CN(C)Cc1nnc[nH]1 ZINC000347309543 218185351 /nfs/dbraw/zinc/18/53/51/218185351.db2.gz DMSWJIMAJDPBKV-IZZDOVSWSA-N 0 1 287.323 2.248 20 5 CEBDMN CC(C)(O)[C@H]1CCCN1Cc1csc([N+](=O)[O-])c1 ZINC000305197201 379681215 /nfs/dbraw/zinc/68/12/15/379681215.db2.gz UJRCQZXHXQLVJN-SNVBAGLBSA-N 0 1 270.354 2.392 20 5 CEBDMN COCCN(Cc1cccc([N+](=O)[O-])c1)[C@H]1CCO[C@H]1C ZINC000489436158 380189257 /nfs/dbraw/zinc/18/92/57/380189257.db2.gz LSXXLMVEGNBTCK-WFASDCNBSA-N 0 1 294.351 2.221 20 5 CEBDMN CSCCCN(C)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000281798067 195385654 /nfs/dbraw/zinc/38/56/54/195385654.db2.gz WAXXCRDNCGHBEF-UHFFFAOYSA-N 0 1 284.337 2.126 20 5 CEBDMN CC(C)c1[nH]nc(C(=O)N(C)[C@@H]2CCSC2)c1[N+](=O)[O-] ZINC000270228626 394728865 /nfs/dbraw/zinc/72/88/65/394728865.db2.gz PVVNDMWANWBWQW-MRVPVSSYSA-N 0 1 298.368 2.019 20 5 CEBDMN CCc1[nH]nc(C(=O)N2CC[C@@H](C)C[C@H]2C)c1[N+](=O)[O-] ZINC000278696199 394833350 /nfs/dbraw/zinc/83/33/50/394833350.db2.gz VREUQIGKEUQYRZ-RKDXNWHRSA-N 0 1 280.328 2.141 20 5 CEBDMN CCN1CCN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@H](C)C1 ZINC000286189969 395016636 /nfs/dbraw/zinc/01/66/36/395016636.db2.gz AZABJMSOOIANBA-SNVBAGLBSA-N 0 1 294.311 2.033 20 5 CEBDMN CCN1C[C@H](N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1=O ZINC000391613602 395201773 /nfs/dbraw/zinc/20/17/73/395201773.db2.gz PEMYHMDZZFDDPY-DGCLKSJQSA-N 0 1 291.351 2.175 20 5 CEBDMN Cc1cnn(C)c1CN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000394076314 395204118 /nfs/dbraw/zinc/20/41/18/395204118.db2.gz BKNRIYMVTPPEMZ-NSHDSACASA-N 0 1 274.324 2.488 20 5 CEBDMN CCC[C@@H](NC1CN(C(C)=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000519698478 395209808 /nfs/dbraw/zinc/20/98/08/395209808.db2.gz AEDDKKJTABZMMZ-OAHLLOKOSA-N 0 1 291.351 2.256 20 5 CEBDMN Cc1c(CN2CC[C@](O)(C(F)F)C2)cccc1[N+](=O)[O-] ZINC000451439378 395618668 /nfs/dbraw/zinc/61/86/68/395618668.db2.gz NXKHFYJQZXXECV-CYBMUJFWSA-N 0 1 286.278 2.105 20 5 CEBDMN Cc1[nH]ncc1C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000229564734 153378810 /nfs/dbraw/zinc/37/88/10/153378810.db2.gz XSNFARZRKJJLMF-UHFFFAOYSA-N 0 1 264.216 2.018 20 5 CEBDMN Cc1cccc([C@@H]2CCCN2C(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC000363636069 156037709 /nfs/dbraw/zinc/03/77/09/156037709.db2.gz UKGOJRKPCIZXOK-HZSPNIEDSA-N 0 1 274.320 2.324 20 5 CEBDMN Cc1c(CN2CCOC[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000376501433 157231408 /nfs/dbraw/zinc/23/14/08/157231408.db2.gz PMKVWOOZWZPLKG-NSHDSACASA-N 0 1 264.325 2.372 20 5 CEBDMN C[C@@H](c1ccccc1[N+](=O)[O-])N1C[C@H](O)C(C)(C)C1 ZINC000279721848 287153142 /nfs/dbraw/zinc/15/31/42/287153142.db2.gz IYDGQWIBMYISIY-GWCFXTLKSA-N 0 1 264.325 2.359 20 5 CEBDMN CCOC[C@@H](C)NCc1cc([N+](=O)[O-])ccc1OC ZINC000044724086 175237570 /nfs/dbraw/zinc/23/75/70/175237570.db2.gz LXKRIMLTVMUKOT-SNVBAGLBSA-N 0 1 268.313 2.118 20 5 CEBDMN C[C@@H](N[C@@H](C)Cc1ccccc1[N+](=O)[O-])c1ncnn1C ZINC000449276837 260344692 /nfs/dbraw/zinc/34/46/92/260344692.db2.gz DBBDOQHFBACCGN-WDEREUQCSA-N 0 1 289.339 2.005 20 5 CEBDMN CCCNC(=O)[C@H](C)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000036959536 270224805 /nfs/dbraw/zinc/22/48/05/270224805.db2.gz TXFXUMAHNOHRLH-QWRGUYRKSA-N 0 1 279.340 2.160 20 5 CEBDMN O=[N+]([O-])c1ccc(CN[C@H](CO)CC(F)F)c(Cl)c1 ZINC000428644236 271284150 /nfs/dbraw/zinc/28/41/50/271284150.db2.gz UNALYCXQDVDDPQ-QMMMGPOBSA-N 0 1 294.685 2.354 20 5 CEBDMN COc1cc([N+](=O)[O-])ccc1CN(C)CCCCCO ZINC000430235133 271364560 /nfs/dbraw/zinc/36/45/60/271364560.db2.gz XQKBFAJKPXOMLJ-UHFFFAOYSA-N 0 1 282.340 2.198 20 5 CEBDMN CC[C@H](NCCn1cc([N+](=O)[O-])cn1)c1nc(C)cs1 ZINC000184367178 276584949 /nfs/dbraw/zinc/58/49/49/276584949.db2.gz LCTJFULKQRYXHK-NSHDSACASA-N 0 1 295.368 2.297 20 5 CEBDMN Cc1c(NS(=O)(=O)c2cccnc2)cccc1[N+](=O)[O-] ZINC000135677263 280052503 /nfs/dbraw/zinc/05/25/03/280052503.db2.gz ALKNQGGUJPAEMF-UHFFFAOYSA-N 0 1 293.304 2.099 20 5 CEBDMN Cc1cc(C)c([N+](=O)[O-])c(N2C[C@H](C)N(C)[C@@H](C)C2)n1 ZINC000338796468 280399737 /nfs/dbraw/zinc/39/97/37/280399737.db2.gz SLZILRSDLFRHIH-RYUDHWBXSA-N 0 1 278.356 2.135 20 5 CEBDMN Cc1ccc2nc(NC(=O)c3ccc([N+](=O)[O-])[nH]3)[nH]c2c1 ZINC000344484589 281161042 /nfs/dbraw/zinc/16/10/42/281161042.db2.gz NVUXOHZPGAEDLE-UHFFFAOYSA-N 0 1 285.263 2.360 20 5 CEBDMN CC(C)[C@@H]1CN(c2ncc(Cl)cc2[N+](=O)[O-])CCN1C ZINC000487080543 290331052 /nfs/dbraw/zinc/33/10/52/290331052.db2.gz SVFXONNILPTSPT-LBPRGKRZSA-N 0 1 298.774 2.420 20 5 CEBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCc1cncn1C ZINC000573528658 314164473 /nfs/dbraw/zinc/16/44/73/314164473.db2.gz KKKYFLRKZXCNRT-LLVKDONJSA-N 0 1 274.324 2.488 20 5 CEBDMN O=C1CCN(Cc2cc(O)ccc2[N+](=O)[O-])C2(CCC2)C1 ZINC000583701071 322563013 /nfs/dbraw/zinc/56/30/13/322563013.db2.gz BPFCABCFWLZGCD-UHFFFAOYSA-N 0 1 290.319 2.388 20 5 CEBDMN Cc1c([C@H](C)N[C@H](C)C(=O)N(C)C)cccc1[N+](=O)[O-] ZINC000357839894 533956408 /nfs/dbraw/zinc/95/64/08/533956408.db2.gz ZKWJRVNYAUJBML-WDEREUQCSA-N 0 1 279.340 2.031 20 5 CEBDMN COCCOCCNCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000050443983 524010437 /nfs/dbraw/zinc/01/04/37/524010437.db2.gz BKDNHVSHFHEWIF-UHFFFAOYSA-N 0 1 288.731 2.001 20 5 CEBDMN C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)[C@H]2CC2[N+](=O)[O-])C1 ZINC000363415992 525459245 /nfs/dbraw/zinc/45/92/45/525459245.db2.gz AFVBKFCJRBGGPP-GJQVQUKXSA-N 0 1 292.310 2.400 20 5 CEBDMN C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)[C@H]1CC1[N+](=O)[O-] ZINC000364815829 525460481 /nfs/dbraw/zinc/46/04/81/525460481.db2.gz CHLDSWZFNBXMOZ-OJDJGZDQSA-N 0 1 292.310 2.195 20 5 CEBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC=C(c2ccccc2F)CC1 ZINC000364966160 526500466 /nfs/dbraw/zinc/50/04/66/526500466.db2.gz FZRUPNJWVQWDDO-OCCSQVGLSA-N 0 1 290.294 2.107 20 5 CEBDMN O=[N+]([O-])c1cccc(F)c1N[C@@H]1CCN(C2CC2)C1 ZINC000156421958 527390108 /nfs/dbraw/zinc/39/01/08/527390108.db2.gz MAWGWRMRJQYZGV-SECBINFHSA-N 0 1 265.288 2.383 20 5 CEBDMN CC1(C)[C@@H]2OCCC[C@@H]2[C@@H]1OC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000744183039 575116130 /nfs/dbraw/zinc/11/61/30/575116130.db2.gz JBFYQJHKLIGSOI-AXTRIDKLSA-N 0 1 294.307 2.283 20 5 CEBDMN C[C@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C[C@H]1C(=O)[O-] ZINC000828455995 601536807 /nfs/dbraw/zinc/53/68/07/601536807.db2.gz HZSCZXBJDFWIIC-GZMMTYOYSA-N 0 1 298.726 2.401 20 5 CEBDMN C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)CCCNC(=O)[O-] ZINC000825639583 603562696 /nfs/dbraw/zinc/56/26/96/603562696.db2.gz UGURRAQWVZFCKO-JTQLQIEISA-N 0 1 281.312 2.245 20 5 CEBDMN C[C@H](C[N@@H+](C)Cc1ccc(Cl)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000827442762 604788109 /nfs/dbraw/zinc/78/81/09/604788109.db2.gz SABAHBGXZGBLMA-MRVPVSSYSA-N 0 1 286.715 2.401 20 5 CEBDMN C[C@@H]1C[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C[C@@H]1C(=O)[O-] ZINC000828457383 604790080 /nfs/dbraw/zinc/79/00/80/604790080.db2.gz TXTDLQLSDCJURV-SCZZXKLOSA-N 0 1 298.726 2.401 20 5 CEBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@@H](NC(=O)[O-])C1 ZINC000833907458 605550758 /nfs/dbraw/zinc/55/07/58/605550758.db2.gz JPKDJASZHDAASD-WDEREUQCSA-N 0 1 293.323 2.306 20 5 CEBDMN C[C@@H](C[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1Cl)C(=O)[O-] ZINC000049964264 623276507 /nfs/dbraw/zinc/27/65/07/623276507.db2.gz WUNYLKKJRBUXHF-QMMMGPOBSA-N 0 1 286.715 2.401 20 5 CEBDMN COC(=O)CC(C)(C)NCc1cc(F)ccc1[N+](=O)[O-] ZINC000178335441 623979955 /nfs/dbraw/zinc/97/99/55/623979955.db2.gz IBTVCZGQWXBHFO-UHFFFAOYSA-N 0 1 284.287 2.165 20 5 CEBDMN Cc1nn(Cc2cc(O)ccc2[N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000821052724 634614936 /nfs/dbraw/zinc/61/49/36/634614936.db2.gz PYPVZDDGMBCXAL-UHFFFAOYSA-N 0 1 292.251 2.070 20 5 CEBDMN CC(=O)OC[C@@H](C)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000893278593 628231592 /nfs/dbraw/zinc/23/15/92/628231592.db2.gz HQWZAVBGFOKFCK-ZJUUUORDSA-N 0 1 266.297 2.197 20 5 CEBDMN CC[C@H](C(=O)N1CCc2cc(C)c([N+](=O)[O-])cc21)N(C)C ZINC000840409985 634637966 /nfs/dbraw/zinc/63/79/66/634637966.db2.gz WZXSBDYQQSGDSY-GFCCVEGCSA-N 0 1 291.351 2.133 20 5 CEBDMN Cc1cc(Cl)ccc1COC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840673672 629363181 /nfs/dbraw/zinc/36/31/81/629363181.db2.gz XWHNIVMQOXIIGK-GHMZBOCLSA-N 0 1 269.684 2.357 20 5 CEBDMN CC(=O)c1c(N[C@H]2CCN(C)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000895734232 630324635 /nfs/dbraw/zinc/32/46/35/630324635.db2.gz KVRIQBADDMOMDK-KOLCDFICSA-N 0 1 277.324 2.302 20 5 CEBDMN Cc1nc([C@H](C)OC(=O)c2ccc([N+](=O)[O-])c(C)c2)n[nH]1 ZINC000840012272 631590563 /nfs/dbraw/zinc/59/05/63/631590563.db2.gz OYTWUVJEYACVPF-QMMMGPOBSA-N 0 1 290.279 2.248 20 5 CEBDMN Cc1nc([C@H](C)OC(=O)c2c(C)cccc2[N+](=O)[O-])n[nH]1 ZINC000840063411 631750192 /nfs/dbraw/zinc/75/01/92/631750192.db2.gz KYPJMXFGEACXPX-QMMMGPOBSA-N 0 1 290.279 2.248 20 5 CEBDMN CC(C)[C@H](N)c1noc(-c2ccccc2[N+](=O)[O-])n1 ZINC000041123350 632383527 /nfs/dbraw/zinc/38/35/27/632383527.db2.gz FFYDRAVFTYJIRJ-JTQLQIEISA-N 0 1 262.269 2.301 20 5 CEBDMN CCC1(C)CN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000812312756 632506498 /nfs/dbraw/zinc/50/64/98/632506498.db2.gz FUUYVRQMKMWPAK-ZDUSSCGKSA-N 0 1 264.325 2.360 20 5 CEBDMN O=C(N[C@@H]1CCCC[C@@H]1c1ccccc1)[C@@H]1CC1[N+](=O)[O-] ZINC000840285244 632654369 /nfs/dbraw/zinc/65/43/69/632654369.db2.gz DBYNJKOYKIVMKZ-KBUPBQIOSA-N 0 1 288.347 2.494 20 5 CEBDMN O=[N+]([O-])c1cc(CNCCO[C@H]2CCCCO2)cs1 ZINC000813333484 632671932 /nfs/dbraw/zinc/67/19/32/632671932.db2.gz QJYQOHBPSZLQBA-LBPRGKRZSA-N 0 1 286.353 2.289 20 5 CEBDMN O=[N+]([O-])c1ccnn1CN1CC[C@H](C2CCCC2)C1 ZINC000817368554 633642761 /nfs/dbraw/zinc/64/27/61/633642761.db2.gz IPFACPPQWCWHMD-LBPRGKRZSA-N 0 1 264.329 2.261 20 5 CEBDMN O=C(Nc1ccc2c(c1)C(=O)CCCC2)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000817503911 633684721 /nfs/dbraw/zinc/68/47/21/633684721.db2.gz KFWIXGZHCYETEE-CHWSQXEVSA-N 0 1 288.303 2.199 20 5 CEBDMN C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+](C)CC(=O)[O-] ZINC000901573848 634195474 /nfs/dbraw/zinc/19/54/74/634195474.db2.gz CDZJNEQZXYSZBX-POHAHGRESA-N 0 1 264.281 2.015 20 5 CEBDMN COCc1cc(Cl)ccc1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000819750390 634247925 /nfs/dbraw/zinc/24/79/25/634247925.db2.gz YHAXYYUZHYEAIT-MWLCHTKSSA-N 0 1 284.699 2.090 20 5 CEBDMN CC(C)N(C)c1ccccc1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000820006620 634312439 /nfs/dbraw/zinc/31/24/39/634312439.db2.gz CNMHFDOCRAMZJN-ZWNOBZJWSA-N 0 1 277.324 2.135 20 5 CEBDMN COc1cc([C@@H](C)N[C@@H]2C[C@]2(C)OC)cc([N+](=O)[O-])c1 ZINC000903204212 635012147 /nfs/dbraw/zinc/01/21/47/635012147.db2.gz RPRCTZPVDPJCLU-FZQKWOKYSA-N 0 1 280.324 2.431 20 5 CEBDMN Cc1ccc(CNC(=O)[C@@H]2CCCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000825648488 635685957 /nfs/dbraw/zinc/68/59/57/635685957.db2.gz SQLITPFPCJWTQW-ZDUSSCGKSA-N 0 1 291.351 2.004 20 5 CEBDMN Cc1ccc(CNC(=O)[C@@H]2CCCCN2C)cc1[N+](=O)[O-] ZINC000825648488 635685958 /nfs/dbraw/zinc/68/59/58/635685958.db2.gz SQLITPFPCJWTQW-ZDUSSCGKSA-N 0 1 291.351 2.004 20 5 CEBDMN CSc1cc(C)ccc1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000840498330 635704884 /nfs/dbraw/zinc/70/48/84/635704884.db2.gz BPCYLNNFEKBHHA-PSASIEDQSA-N 0 1 266.322 2.321 20 5 CEBDMN Cc1ccc(CNCC[N+](=O)[O-])cc1Br ZINC000905408276 636260489 /nfs/dbraw/zinc/26/04/89/636260489.db2.gz NGGFAHDCSLVRAJ-UHFFFAOYSA-N 0 1 273.130 2.124 20 5 CEBDMN O=C(CCN1CC[C@@H](F)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000830480779 637081886 /nfs/dbraw/zinc/08/18/86/637081886.db2.gz TWVFNNLHIAKKSN-SECBINFHSA-N 0 1 299.277 2.106 20 5 CEBDMN CCO[C@H](CC)C(=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837466040 639240760 /nfs/dbraw/zinc/24/07/60/639240760.db2.gz JMOJRTMFEYSFNT-GFCCVEGCSA-N 0 1 283.280 2.159 20 5 CEBDMN CC1(OCC(=O)OCc2cc(O)ccc2[N+](=O)[O-])CCC1 ZINC000837590243 639296996 /nfs/dbraw/zinc/29/69/96/639296996.db2.gz LUKJOIQIHLKBGH-UHFFFAOYSA-N 0 1 295.291 2.303 20 5 CEBDMN C[C@@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])c1nc(C2CC2)cs1 ZINC000841176630 639700405 /nfs/dbraw/zinc/70/04/05/639700405.db2.gz UNNIDGOMUYYRQM-GTNGPMTGSA-N 0 1 282.321 2.290 20 5 CEBDMN O=C(OCc1cnc2c(F)cccc2c1)[C@@H]1CC1[N+](=O)[O-] ZINC000841234883 639715109 /nfs/dbraw/zinc/71/51/09/639715109.db2.gz NROQOEQQDXQUMQ-ZYHUDNBSSA-N 0 1 290.250 2.082 20 5 CEBDMN C[C@@H]1CCC[C@@H](C)N(Cn2cc([N+](=O)[O-])cn2)C1 ZINC000172918413 639827875 /nfs/dbraw/zinc/82/78/75/639827875.db2.gz YQXJUMAJLUFZPA-GHMZBOCLSA-N 0 1 252.318 2.259 20 5 CEBDMN COc1ccc([C@H](C)COC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC000842330967 640018672 /nfs/dbraw/zinc/01/86/72/640018672.db2.gz JUWIUIJPYOGMQF-OASPWFOLSA-N 0 1 279.292 2.007 20 5 CEBDMN C[C@@H](CCCc1cccnc1)OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000842371023 640032776 /nfs/dbraw/zinc/03/27/76/640032776.db2.gz BXLINBPOYNHKEQ-CYZMBNFOSA-N 0 1 278.308 2.001 20 5 CEBDMN COc1cccc(-c2nc([C@H](N)C(C)C)no2)c1[N+](=O)[O-] ZINC000843151155 640309432 /nfs/dbraw/zinc/30/94/32/640309432.db2.gz CUPOWQOPTUQCHT-SNVBAGLBSA-N 0 1 292.295 2.309 20 5 CEBDMN CCCN[C@@H](C)c1nc(Cc2ccc([N+](=O)[O-])cn2)no1 ZINC000843192381 640343518 /nfs/dbraw/zinc/34/35/18/640343518.db2.gz TXIHMLMFPLMISU-VIFPVBQESA-N 0 1 291.311 2.024 20 5 CEBDMN CCc1nc2ccc(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])cc2s1 ZINC000843693280 640500434 /nfs/dbraw/zinc/50/04/34/640500434.db2.gz VDBRUEVBNPYNQC-PSASIEDQSA-N 0 1 291.332 2.462 20 5 CEBDMN CC(=O)OC1CCN(Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000153498442 640520425 /nfs/dbraw/zinc/52/04/25/640520425.db2.gz OUPYRRQTGGHOAJ-UHFFFAOYSA-N 0 1 292.335 2.431 20 5 CEBDMN C[C@@H]1CN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])C[C@H](C)N1 ZINC000153586202 640552295 /nfs/dbraw/zinc/55/22/95/640552295.db2.gz XFISNFBKFOFRKO-DTORHVGOSA-N 0 1 297.742 2.071 20 5 CEBDMN CC(=O)Nc1cccc(OC(=O)c2ccc([N+](=O)[O-])[nH]2)c1 ZINC000916999440 640836621 /nfs/dbraw/zinc/83/66/21/640836621.db2.gz CRAGARIFLGIXBI-UHFFFAOYSA-N 0 1 289.247 2.101 20 5 CEBDMN O=[N+]([O-])c1cccc(-c2ncn(CN3C4CCC3CC4)n2)c1 ZINC000917422376 640885282 /nfs/dbraw/zinc/88/52/82/640885282.db2.gz HKCZWSYDUMYTMV-UHFFFAOYSA-N 0 1 299.334 2.438 20 5 CEBDMN CCCN1CCN(c2ccc([N+](=O)[O-])cc2COC)CC1 ZINC000174991763 641299601 /nfs/dbraw/zinc/29/96/01/641299601.db2.gz AYOHVHIBKMFOKR-UHFFFAOYSA-N 0 1 293.367 2.273 20 5 CEBDMN COC(OC)[C@@H](C)NCc1c(C)ccc([N+](=O)[O-])c1C ZINC000922312769 643020915 /nfs/dbraw/zinc/02/09/15/643020915.db2.gz AZKWVGCDEBZJMP-LLVKDONJSA-N 0 1 282.340 2.309 20 5 CEBDMN C[C@@]12COC[C@H]1CN(Cc1cc(F)ccc1[N+](=O)[O-])C2 ZINC000852535036 643462107 /nfs/dbraw/zinc/46/21/07/643462107.db2.gz UEFBQAQOWIDYFJ-BXUZGUMPSA-N 0 1 280.299 2.202 20 5 CEBDMN O=[N+]([O-])c1ccnn1CN1CCC[C@@H]2CCCC[C@@H]21 ZINC000853634432 643839394 /nfs/dbraw/zinc/83/93/94/643839394.db2.gz RHXXZFWULZHTIJ-RYUDHWBXSA-N 0 1 264.329 2.403 20 5 CEBDMN COc1cc(N2C[C@@H](C)N(C)[C@@H](C)C2)c([N+](=O)[O-])cc1C ZINC000853649085 643846021 /nfs/dbraw/zinc/84/60/21/643846021.db2.gz XPLYQGZDPQBECJ-TXEJJXNPSA-N 0 1 293.367 2.441 20 5 CEBDMN CC(C)CN(Cc1ccccc1F)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839685734 644773553 /nfs/dbraw/zinc/77/35/53/644773553.db2.gz HSBUYVFQDOFXKF-TZMCWYRMSA-N 0 1 294.326 2.476 20 5 CEBDMN Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839688687 644774521 /nfs/dbraw/zinc/77/45/21/644774521.db2.gz ULSFYFMEDPNTKX-QHSBEEBCSA-N 0 1 288.347 2.365 20 5 CEBDMN O=C(Nc1cccc(CC(F)(F)F)c1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839690906 644775178 /nfs/dbraw/zinc/77/51/78/644775178.db2.gz JMKXOVIUVGWVFR-NXEZZACHSA-N 0 1 288.225 2.395 20 5 CEBDMN CC(C)C[C@H]1CCCCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839695049 644776174 /nfs/dbraw/zinc/77/61/74/644776174.db2.gz WHUKNWNOQLXUPY-JHJVBQTASA-N 0 1 268.357 2.469 20 5 CEBDMN C[C@@H]1[C@H](CO)CCCN1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000839672379 644780389 /nfs/dbraw/zinc/78/03/89/644780389.db2.gz FVKQADUSYLENOP-PWSUYJOCSA-N 0 1 282.315 2.327 20 5 CEBDMN COC(C)(C)CN(C)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000758411945 644927638 /nfs/dbraw/zinc/92/76/38/644927638.db2.gz LAOGAKBOPZSQOY-UHFFFAOYSA-N 0 1 292.339 2.259 20 5 CEBDMN O=[N+]([O-])c1ccc(CN[C@H](CO)CC(F)F)cc1Cl ZINC000763540933 645556078 /nfs/dbraw/zinc/55/60/78/645556078.db2.gz MJBYCYRLSVMEHI-QMMMGPOBSA-N 0 1 294.685 2.354 20 5 CEBDMN O=C(NCCN1CCC1)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000860357509 645771561 /nfs/dbraw/zinc/77/15/61/645771561.db2.gz GIBWHHHLCFYYBT-UHFFFAOYSA-N 0 1 299.330 2.184 20 5 CEBDMN COc1ccc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c2ccccc12 ZINC000862976216 646609695 /nfs/dbraw/zinc/60/96/95/646609695.db2.gz LOKCUSABYGQAQM-DGCLKSJQSA-N 0 1 286.287 2.452 20 5 CEBDMN CSC(C)(C)COC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000775316795 646938793 /nfs/dbraw/zinc/93/87/93/646938793.db2.gz CTCHVWPEFNMZRV-UHFFFAOYSA-N 0 1 258.299 2.221 20 5 CEBDMN CCc1cnc(COC(=O)c2ccc([N+](=O)[O-])[nH]2)s1 ZINC000785068138 647904787 /nfs/dbraw/zinc/90/47/87/647904787.db2.gz LXLSABHHFSAMHD-UHFFFAOYSA-N 0 1 281.293 2.299 20 5 CEBDMN CCC(CC)CNC(=O)[C@](C)(N)c1cccc([N+](=O)[O-])c1 ZINC000867956116 648001113 /nfs/dbraw/zinc/00/11/13/648001113.db2.gz NOQCOCYGLBFSNZ-OAHLLOKOSA-N 0 1 293.367 2.321 20 5 CEBDMN CCOC(=O)[C@H](CC)[C@H](C)OC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000789473937 648307061 /nfs/dbraw/zinc/30/70/61/648307061.db2.gz ZUWRGKGUCGTIDV-DTWKUNHWSA-N 0 1 298.295 2.058 20 5 CEBDMN Cc1[nH]nc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)c1Cl ZINC000790981958 648468019 /nfs/dbraw/zinc/46/80/19/648468019.db2.gz FNWDBBWJXSGXJO-UHFFFAOYSA-N 0 1 296.670 2.238 20 5 CEBDMN O=C(NCC[C@@H]1CCSC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000869602680 648529852 /nfs/dbraw/zinc/52/98/52/648529852.db2.gz SPNCHVRSWARATH-SECBINFHSA-N 0 1 296.348 2.173 20 5 CEBDMN O=[N+]([O-])c1ccc([C@H](O)CN2CCC(F)CC2)cc1 ZINC000880239700 651407142 /nfs/dbraw/zinc/40/71/42/651407142.db2.gz DKBVFZFDLDMOAA-CYBMUJFWSA-N 0 1 268.288 2.062 20 5 CEBDMN O=[N+]([O-])c1cccc([C@H](O)CN2CCC(F)CC2)c1 ZINC000880240132 651407226 /nfs/dbraw/zinc/40/72/26/651407226.db2.gz MNZSPZTZJBTQPO-CYBMUJFWSA-N 0 1 268.288 2.062 20 5 CEBDMN CCN1CC[C@H]1CNC(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000882494171 652107084 /nfs/dbraw/zinc/10/70/84/652107084.db2.gz OAYYMQCOFZAXQC-LBPRGKRZSA-N 0 1 291.351 2.036 20 5 CEBDMN CSCc1n[nH]c(CNc2ccc(C)cc2[N+](=O)[O-])n1 ZINC000884695495 652968247 /nfs/dbraw/zinc/96/82/47/652968247.db2.gz ZSKWAPPNXDTMOI-UHFFFAOYSA-N 0 1 293.352 2.496 20 5 CEBDMN CSCc1nnc(CNc2ccc(C)cc2[N+](=O)[O-])[nH]1 ZINC000884695495 652968248 /nfs/dbraw/zinc/96/82/48/652968248.db2.gz ZSKWAPPNXDTMOI-UHFFFAOYSA-N 0 1 293.352 2.496 20 5 CEBDMN CN(CCNCc1csc([N+](=O)[O-])c1)C(=O)C1(C)CC1 ZINC001266708971 802855172 /nfs/dbraw/zinc/85/51/72/802855172.db2.gz QWWTUEWLDXHGEI-UHFFFAOYSA-N 0 1 297.380 2.004 20 5 CEBDMN C[N@H+]1CC[C@H]1CNc1ccc(Cl)cc1[N+](=O)[O-] ZINC000712530610 814764014 /nfs/dbraw/zinc/76/40/14/814764014.db2.gz PIJPHFOAVFPTIZ-VIFPVBQESA-N 0 1 255.705 2.364 20 5 CEBDMN CN1CC[C@H]1CNc1ccc(Cl)cc1[N+](=O)[O-] ZINC000712530610 814764015 /nfs/dbraw/zinc/76/40/15/814764015.db2.gz PIJPHFOAVFPTIZ-VIFPVBQESA-N 0 1 255.705 2.364 20 5 CEBDMN Cc1cc(CNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])n[nH]1 ZINC000716768565 815145255 /nfs/dbraw/zinc/14/52/55/815145255.db2.gz MAIYTGGQXZANJI-UHFFFAOYSA-N 0 1 294.698 2.210 20 5 CEBDMN CC(C)(O)[C@@H]1CCCN1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000707131731 809880146 /nfs/dbraw/zinc/88/01/46/809880146.db2.gz UOYRTDKMHFOEIM-ZDUSSCGKSA-N 0 1 282.315 2.469 20 5 CEBDMN O=[N+]([O-])C[C@@H]1CC[C@H](NC2(c3cccc(F)c3)COC2)C1 ZINC001168972558 811321985 /nfs/dbraw/zinc/32/19/85/811321985.db2.gz NIAYEQBJPSGDTP-RISCZKNCSA-N 0 1 294.326 2.086 20 5 CEBDMN CC(C)(C)c1ccc(NC[C@H]2COCCN2)c([N+](=O)[O-])c1 ZINC001170045491 811999565 /nfs/dbraw/zinc/99/95/65/811999565.db2.gz VELUPFIUZMMCOB-LBPRGKRZSA-N 0 1 293.367 2.293 20 5 CEBDMN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N(C)C1(C)COC1 ZINC001173234536 815633764 /nfs/dbraw/zinc/63/37/64/815633764.db2.gz RUURYSKIGPEAET-NSHDSACASA-N 0 1 264.325 2.247 20 5 CEBDMN O=C(N[C@H](c1cccs1)C1CC1)c1n[nH]cc1[N+](=O)[O-] ZINC001141319463 816520969 /nfs/dbraw/zinc/52/09/69/816520969.db2.gz GUALDAKTSMQBJH-JTQLQIEISA-N 0 1 292.320 2.261 20 5 CEBDMN CC(C)(CNC(=O)c1n[nH]cc1[N+](=O)[O-])C1CCCC1 ZINC000121406948 365564973 /nfs/dbraw/zinc/56/49/73/365564973.db2.gz VXCFXBTWQPRLBL-UHFFFAOYSA-N 0 1 280.328 2.264 20 5 CEBDMN CC(C)OC[C@@H](C)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000337490417 214117384 /nfs/dbraw/zinc/11/73/84/214117384.db2.gz DPZUSNKZQFLHTC-SNVBAGLBSA-N 0 1 292.339 2.374 20 5 CEBDMN O=[N+]([O-])c1cccc(Cl)c1CN1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000125368297 187182138 /nfs/dbraw/zinc/18/21/38/187182138.db2.gz KTVQUBDJRUKSJA-RBZYPMLTSA-N 0 1 296.754 2.451 20 5 CEBDMN CCNC(=O)[C@@H](C)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000036794624 361859730 /nfs/dbraw/zinc/85/97/30/361859730.db2.gz GYCHDOQNXMVWCJ-GHMZBOCLSA-N 0 1 279.340 2.078 20 5 CEBDMN C[C@H](NCc1ccnn1C)c1cccc([N+](=O)[O-])c1 ZINC000037775635 361935856 /nfs/dbraw/zinc/93/58/56/361935856.db2.gz ODSIHZOWZIWRGQ-JTQLQIEISA-N 0 1 260.297 2.179 20 5 CEBDMN O=[N+]([O-])c1ccc(NCc2nnc[nH]2)cc1C(F)(F)F ZINC000037919965 361964632 /nfs/dbraw/zinc/96/46/32/361964632.db2.gz QHKSEHPNGNBUEF-UHFFFAOYSA-N 0 1 287.201 2.344 20 5 CEBDMN COc1ccc(C[N@H+]2CCC[C@H]2CC(=O)[O-])cc1[N+](=O)[O-] ZINC000042163679 362063845 /nfs/dbraw/zinc/06/38/45/362063845.db2.gz NVEWQKQPJIBXIQ-NSHDSACASA-N 0 1 294.307 2.043 20 5 CEBDMN O=c1c2c([nH]n1-c1cccc([N+](=O)[O-])c1)CCSC2 ZINC000601933344 346930313 /nfs/dbraw/zinc/93/03/13/346930313.db2.gz YVDLQJMERXWHAE-SNVBAGLBSA-N 0 1 277.305 2.051 20 5 CEBDMN COc1cc([N+](=O)[O-])ccc1-n1[nH]c2c(c1=O)[C@H](C)CC2 ZINC000601934488 346930813 /nfs/dbraw/zinc/93/08/13/346930813.db2.gz BMOVZDLGRQSZNY-AMIZOPFISA-N 0 1 289.291 2.352 20 5 CEBDMN COc1cc([N+](=O)[O-])ccc1-n1[nH]c(C(C)C)cc1=O ZINC000601934733 346931296 /nfs/dbraw/zinc/93/12/96/346931296.db2.gz DOFYQUGGQYSRGM-UHFFFAOYSA-N 0 1 277.280 2.352 20 5 CEBDMN COCCc1cc(=O)n(-c2ccc([N+](=O)[O-])cc2Cl)[nH]1 ZINC000601941447 346934283 /nfs/dbraw/zinc/93/42/83/346934283.db2.gz XBXZWWNHVRBQOJ-UHFFFAOYSA-N 0 1 297.698 2.377 20 5 CEBDMN COc1ccc(CN2CC[C@H](OC)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000449493511 282257460 /nfs/dbraw/zinc/25/74/60/282257460.db2.gz DZWXRSDMCNWCNS-RISCZKNCSA-N 0 1 294.351 2.460 20 5 CEBDMN CCc1nc(CNc2ccc(F)cc2[N+](=O)[O-])n[nH]1 ZINC000295021995 199304057 /nfs/dbraw/zinc/30/40/57/199304057.db2.gz UYQCJLRPUGFVGS-UHFFFAOYSA-N 0 1 265.248 2.027 20 5 CEBDMN CC(=O)c1ccc(NC2CCN(C)CC2)c([N+](=O)[O-])c1 ZINC000058851274 343648926 /nfs/dbraw/zinc/64/89/26/343648926.db2.gz LTDUGHSZSVYQDS-UHFFFAOYSA-N 0 1 277.324 2.304 20 5 CEBDMN C[N@@H+](CC(=O)Nc1cc([N+](=O)[O-])ccc1[O-])CC(C)(C)C ZINC000602127218 346979261 /nfs/dbraw/zinc/97/92/61/346979261.db2.gz RZWOJTFOZXMJQU-UHFFFAOYSA-N 0 1 295.339 2.217 20 5 CEBDMN COc1ccc(CN2CCC[C@H]([C@H](C)O)C2)cc1[N+](=O)[O-] ZINC000089927358 344131892 /nfs/dbraw/zinc/13/18/92/344131892.db2.gz VMGHSXCBCIWFJI-AAEUAGOBSA-N 0 1 294.351 2.196 20 5 CEBDMN CC(C)OC(=O)[C@@H](C)N(C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000093772851 344229837 /nfs/dbraw/zinc/22/98/37/344229837.db2.gz CLSXYNQNHGTSRU-SNVBAGLBSA-N 0 1 296.323 2.072 20 5 CEBDMN Cn1cc(CN2CCC[C@H]3CCC[C@@H]32)c([N+](=O)[O-])n1 ZINC000602454620 347040475 /nfs/dbraw/zinc/04/04/75/347040475.db2.gz OKNNDTHRJKIWHH-PWSUYJOCSA-N 0 1 264.329 2.093 20 5 CEBDMN CC(C)(O)[C@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000145852753 344409780 /nfs/dbraw/zinc/40/97/80/344409780.db2.gz BOWVGZMQELWCOX-CYBMUJFWSA-N 0 1 264.325 2.330 20 5 CEBDMN Cc1cnc(CNCCc2ccc([N+](=O)[O-])cc2)o1 ZINC000231652828 344574983 /nfs/dbraw/zinc/57/49/83/344574983.db2.gz WDEREZUWTBTSCW-UHFFFAOYSA-N 0 1 261.281 2.224 20 5 CEBDMN C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C[C@@H]1COCCO1 ZINC000590684672 345160317 /nfs/dbraw/zinc/16/03/17/345160317.db2.gz OZAMHUONFMRNIV-SMDDNHRTSA-N 0 1 280.324 2.003 20 5 CEBDMN O=[N+]([O-])c1ccccc1CN1CCC(C2(O)CC2)CC1 ZINC000593044388 345427644 /nfs/dbraw/zinc/42/76/44/345427644.db2.gz GUJOUQWNXLAOIX-UHFFFAOYSA-N 0 1 276.336 2.332 20 5 CEBDMN C[C@H](CNC(=O)c1cc(O)cc([N+](=O)[O-])c1)CC(F)F ZINC000592827174 345401136 /nfs/dbraw/zinc/40/11/36/345401136.db2.gz XHLOCTGTVSCYHJ-ZETCQYMHSA-N 0 1 288.250 2.322 20 5 CEBDMN CCOc1ccc([N+](=O)[O-])cc1CN(C[C@H](C)O)C1CC1 ZINC000594064176 345577037 /nfs/dbraw/zinc/57/70/37/345577037.db2.gz LCLXROZGLVYLPE-NSHDSACASA-N 0 1 294.351 2.339 20 5 CEBDMN COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@@H]1C[C@]1(C)OC ZINC000595104996 345743009 /nfs/dbraw/zinc/74/30/09/345743009.db2.gz COUCEXBSQHOAGT-FZZIBODNSA-N 0 1 280.324 2.431 20 5 CEBDMN Cc1noc(CN2CC[C@H](C3CC3)C2)c1[N+](=O)[O-] ZINC000595413072 345776781 /nfs/dbraw/zinc/77/67/81/345776781.db2.gz VKLQKOPPUMCLLT-JTQLQIEISA-N 0 1 251.286 2.123 20 5 CEBDMN Cc1noc(CN2CCC[C@@H]2[C@@H]2CCC[C@@H]2O)c1[N+](=O)[O-] ZINC000595515586 345801512 /nfs/dbraw/zinc/80/15/12/345801512.db2.gz YRJDOKNFJSGTBU-TUAOUCFPSA-N 0 1 295.339 2.017 20 5 CEBDMN C[C@H]1COC2(CCC2)CN1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000595681381 345847400 /nfs/dbraw/zinc/84/74/00/345847400.db2.gz LHGFKVKEHOQKAL-NSHDSACASA-N 0 1 292.335 2.444 20 5 CEBDMN C[C@H]1CN(Cc2ccc(F)cc2[N+](=O)[O-])C[C@@]1(C)CO ZINC000595861402 345900282 /nfs/dbraw/zinc/90/02/82/345900282.db2.gz VLMAQBSCARUCLN-HZMBPMFUSA-N 0 1 282.315 2.184 20 5 CEBDMN O=[N+]([O-])c1cccc(F)c1N1CCCc2[nH]ncc2C1 ZINC000596001330 345922411 /nfs/dbraw/zinc/92/24/11/345922411.db2.gz RQBSAEYORWVWAB-UHFFFAOYSA-N 0 1 276.271 2.410 20 5 CEBDMN O=[N+]([O-])c1ccc(NC[C@@H]2CCN2Cc2ccccc2)nc1 ZINC000596553405 346053226 /nfs/dbraw/zinc/05/32/26/346053226.db2.gz RWXVOKQGXYTARG-AWEZNQCLSA-N 0 1 298.346 2.098 20 5 CEBDMN COCCC1CN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000597183581 346143596 /nfs/dbraw/zinc/14/35/96/346143596.db2.gz MECHDQXUVUZZHV-UHFFFAOYSA-N 0 1 250.298 2.063 20 5 CEBDMN C/C=C\CNCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000599006363 346445386 /nfs/dbraw/zinc/44/53/86/346445386.db2.gz VZCOLWQNSDFWEH-IHWYPQMZSA-N 0 1 264.281 2.032 20 5 CEBDMN Cc1ccc(CN2CCC[C@@](C)(O)C2)cc1[N+](=O)[O-] ZINC000129458119 365860238 /nfs/dbraw/zinc/86/02/38/365860238.db2.gz KYCOSMJJPNLPRQ-CQSZACIVSA-N 0 1 264.325 2.250 20 5 CEBDMN C[C@@H]1CC[C@@H](CNCc2nc3cc([N+](=O)[O-])ccc3o2)O1 ZINC000602689541 347147907 /nfs/dbraw/zinc/14/79/07/347147907.db2.gz FGCICKCWNXRFDS-KOLCDFICSA-N 0 1 291.307 2.393 20 5 CEBDMN CC(C)[C@H](CC(F)(F)F)NCc1cn(C)nc1[N+](=O)[O-] ZINC000602818772 347212353 /nfs/dbraw/zinc/21/23/53/347212353.db2.gz WVUCNRPUMJENST-VIFPVBQESA-N 0 1 294.277 2.395 20 5 CEBDMN C[C@@H]1C[C@@H](NCc2nc3cc([N+](=O)[O-])ccc3o2)[C@@H](C)O1 ZINC000602733939 347177587 /nfs/dbraw/zinc/17/75/87/347177587.db2.gz GLWJVFOAGZQBOG-FXPVBKGRSA-N 0 1 291.307 2.392 20 5 CEBDMN CN[C@@H](C)c1cn([C@H](C)c2ccccc2[N+](=O)[O-])nn1 ZINC000603220315 347312444 /nfs/dbraw/zinc/31/24/44/347312444.db2.gz SRCZIOMBZYUQIL-VHSXEESVSA-N 0 1 275.312 2.076 20 5 CEBDMN C[C@H](c1ccccc1[N+](=O)[O-])N1CCc2cn[nH]c2C1 ZINC000611009466 347732072 /nfs/dbraw/zinc/73/20/72/347732072.db2.gz ZREHDTHPEMBDSL-SNVBAGLBSA-N 0 1 272.308 2.437 20 5 CEBDMN CCN1CCN(c2c(C)cccc2[N+](=O)[O-])C[C@@H]1C ZINC000611084505 347737475 /nfs/dbraw/zinc/73/74/75/347737475.db2.gz BWZMKAMUKFXCSI-LBPRGKRZSA-N 0 1 263.341 2.434 20 5 CEBDMN CCC[C@@H](C)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000611551556 347794280 /nfs/dbraw/zinc/79/42/80/347794280.db2.gz KRQIVMIHMQKZEE-MRVPVSSYSA-N 0 1 252.270 2.219 20 5 CEBDMN O=C([O-])C[C@@H]1CCC[N@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000086790837 179334637 /nfs/dbraw/zinc/33/46/37/179334637.db2.gz AOGJBXUJTBOETL-VIFPVBQESA-N 0 1 270.310 2.095 20 5 CEBDMN CCN1CC[C@H](N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1=O ZINC000619823354 349238275 /nfs/dbraw/zinc/23/82/75/349238275.db2.gz WDUKSQFVTLKCCC-YPMHNXCESA-N 0 1 291.351 2.175 20 5 CEBDMN C[C@H]1CCC[C@H]1NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000104616485 186009982 /nfs/dbraw/zinc/00/99/82/186009982.db2.gz LAUPMYQPSSSFJE-GZMMTYOYSA-N 0 1 288.307 2.390 20 5 CEBDMN O=C1[C@@H]2CCCCC2=NN1c1cccc([N+](=O)[O-])c1 ZINC000104931053 186032550 /nfs/dbraw/zinc/03/25/50/186032550.db2.gz PRVQCFDPVOWMDG-LLVKDONJSA-N 0 1 259.265 2.488 20 5 CEBDMN O=c1c2c([nH]n1-c1cccc([N+](=O)[O-])c1)CCCC2 ZINC000104931053 186032552 /nfs/dbraw/zinc/03/25/52/186032552.db2.gz PRVQCFDPVOWMDG-LLVKDONJSA-N 0 1 259.265 2.488 20 5 CEBDMN Cn1cnc([N+](=O)[O-])c1CN1CC(C)(C)[C@@H]2CCC[C@H]21 ZINC000339710137 215309823 /nfs/dbraw/zinc/30/98/23/215309823.db2.gz FZGNHHPEGIDVFP-GHMZBOCLSA-N 0 1 278.356 2.339 20 5 CEBDMN CC[C@H](C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)N(C)C ZINC000352183135 219348112 /nfs/dbraw/zinc/34/81/12/219348112.db2.gz AAJRFHCPFWSGGF-LLVKDONJSA-N 0 1 269.276 2.013 20 5 CEBDMN C[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1C(=O)[O-] ZINC000111255184 186379143 /nfs/dbraw/zinc/37/91/43/186379143.db2.gz OXVYSRGSJUNADB-KCJUWKMLSA-N 0 1 298.726 2.401 20 5 CEBDMN CCCc1[nH]nc(C(=O)N(C)CCC2CC2)c1[N+](=O)[O-] ZINC000131285358 366038638 /nfs/dbraw/zinc/03/86/38/366038638.db2.gz MZPOHRNEFPZMGT-UHFFFAOYSA-N 0 1 280.328 2.143 20 5 CEBDMN C[C@H]1CC[C@H](C)N1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000123243616 187080338 /nfs/dbraw/zinc/08/03/38/187080338.db2.gz PGPHMGWGCAOAMX-RYUDHWBXSA-N 0 1 291.351 2.430 20 5 CEBDMN CN(CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C1CCC1 ZINC000072721946 363162968 /nfs/dbraw/zinc/16/29/68/363162968.db2.gz IRKPXSOXYIATTH-UHFFFAOYSA-N 0 1 277.324 2.042 20 5 CEBDMN Cc1nc(CCNc2ccc(Cl)cc2[N+](=O)[O-])n[nH]1 ZINC000271651168 191261431 /nfs/dbraw/zinc/26/14/31/191261431.db2.gz SCFFTOCUBVSMKX-UHFFFAOYSA-N 0 1 281.703 2.329 20 5 CEBDMN Cc1nnc(CCNc2ccc(Cl)cc2[N+](=O)[O-])[nH]1 ZINC000271651168 191261432 /nfs/dbraw/zinc/26/14/32/191261432.db2.gz SCFFTOCUBVSMKX-UHFFFAOYSA-N 0 1 281.703 2.329 20 5 CEBDMN CC(C)[C@H]1CCC[C@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000152445467 188019834 /nfs/dbraw/zinc/01/98/34/188019834.db2.gz XOYYPOFXJFCALX-UWVGGRQHSA-N 0 1 280.328 2.263 20 5 CEBDMN O=C(CN1C[C@@H]2CCC[C@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000152886259 188050724 /nfs/dbraw/zinc/05/07/24/188050724.db2.gz NFBJUHWUXVLBRO-RYUDHWBXSA-N 0 1 289.335 2.265 20 5 CEBDMN CC(C)C1CCC(NC(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC000156053530 188240891 /nfs/dbraw/zinc/24/08/91/188240891.db2.gz CJQCPOKGUURWNF-UHFFFAOYSA-N 0 1 280.328 2.263 20 5 CEBDMN Cc1cc(NCCCc2nc[nH]n2)c(F)cc1[N+](=O)[O-] ZINC000292518928 198317396 /nfs/dbraw/zinc/31/73/96/198317396.db2.gz GWGUBBWBLCIASG-UHFFFAOYSA-N 0 1 279.275 2.205 20 5 CEBDMN Cc1ccc(CN(C)[C@H]2CCOC2)cc1[N+](=O)[O-] ZINC000132071485 366115573 /nfs/dbraw/zinc/11/55/73/366115573.db2.gz PHUCAFVHMZNWKI-LBPRGKRZSA-N 0 1 250.298 2.124 20 5 CEBDMN CC[C@H](Cc1ccccc1)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000132459503 366146217 /nfs/dbraw/zinc/14/62/17/366146217.db2.gz DHRNEGOAWOZOQG-LLVKDONJSA-N 0 1 288.307 2.069 20 5 CEBDMN O=[N+]([O-])c1ccc([C@H]2CCCN(Cc3c[nH]nn3)C2)cc1 ZINC000451551770 283031872 /nfs/dbraw/zinc/03/18/72/283031872.db2.gz VEWPWVFVIYSTAL-LBPRGKRZSA-N 0 1 287.323 2.093 20 5 CEBDMN CC(C)N(C)C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC000294411091 199029161 /nfs/dbraw/zinc/02/91/61/199029161.db2.gz PGQFCGCMTHJCNK-UHFFFAOYSA-N 0 1 288.307 2.465 20 5 CEBDMN CCN(CC)C(=O)CN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000135128027 366399507 /nfs/dbraw/zinc/39/95/07/366399507.db2.gz BBMLLPLEIGWQBG-GFCCVEGCSA-N 0 1 293.367 2.422 20 5 CEBDMN CC(C)c1nc(CNc2ccc([N+](=O)[O-])c(N)c2F)n[nH]1 ZINC000294869560 199223342 /nfs/dbraw/zinc/22/33/42/199223342.db2.gz DBMLTFORZXTJTA-UHFFFAOYSA-N 0 1 294.290 2.170 20 5 CEBDMN O=[N+]([O-])c1ccc(NCc2n[nH]c(C3CC3)n2)c(F)c1 ZINC000294936995 199258834 /nfs/dbraw/zinc/25/88/34/199258834.db2.gz KSZZVQKOBGCWSH-UHFFFAOYSA-N 0 1 277.259 2.342 20 5 CEBDMN COc1cccc(N2C[C@H](C)N(C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000338784993 366522312 /nfs/dbraw/zinc/52/23/12/366522312.db2.gz BCEULRWADWMWPH-QWRGUYRKSA-N 0 1 279.340 2.132 20 5 CEBDMN C[C@@H]1C[C@H](NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@H](C)O1 ZINC000296842924 200013104 /nfs/dbraw/zinc/01/31/04/200013104.db2.gz OIJVAOBCXSLYKY-PTRXPTGYSA-N 0 1 290.323 2.127 20 5 CEBDMN O=C(N[C@H]1CCCc2sccc21)c1n[nH]cc1[N+](=O)[O-] ZINC000137376837 366543274 /nfs/dbraw/zinc/54/32/74/366543274.db2.gz KBVSTDVCLUQBBX-QMMMGPOBSA-N 0 1 292.320 2.187 20 5 CEBDMN CC[C@H](CNC(=O)c1n[nH]cc1[N+](=O)[O-])c1ccccc1 ZINC000179256554 189181428 /nfs/dbraw/zinc/18/14/28/189181428.db2.gz SZFNJZQUTXVNAX-SNVBAGLBSA-N 0 1 288.307 2.242 20 5 CEBDMN O=[N+]([O-])c1ccc([O-])cc1C[N@H+]1CCC[C@H]1[C@@H]1CCCO1 ZINC000339168070 366687432 /nfs/dbraw/zinc/68/74/32/366687432.db2.gz KCAYCTFSHNGIGY-GJZGRUSLSA-N 0 1 292.335 2.444 20 5 CEBDMN CC(C)N(CCO)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000093634017 364205246 /nfs/dbraw/zinc/20/52/46/364205246.db2.gz SRCIPNGDCQAJHD-UHFFFAOYSA-N 0 1 272.732 2.451 20 5 CEBDMN O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H]1CCCc2[nH]ncc21 ZINC000342736413 216500980 /nfs/dbraw/zinc/50/09/80/216500980.db2.gz QFPGVWQIGXYXBW-LLVKDONJSA-N 0 1 286.291 2.377 20 5 CEBDMN COC[C@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000112989759 364866236 /nfs/dbraw/zinc/86/62/36/364866236.db2.gz SZRJHPMIFBHXFS-LBPRGKRZSA-N 0 1 294.351 2.462 20 5 CEBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCCCC[C@@H]1c1ccncc1 ZINC000360166902 296073346 /nfs/dbraw/zinc/07/33/46/296073346.db2.gz VJNWTSKXYAINRC-MGPQQGTHSA-N 0 1 289.335 2.191 20 5 CEBDMN CC[C@H]1CCCN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000340554379 366933629 /nfs/dbraw/zinc/93/36/29/366933629.db2.gz NTDYOBHMVOKLCL-VIFPVBQESA-N 0 1 288.307 2.486 20 5 CEBDMN Cc1cc([C@@H](C)NC(=O)c2n[nH]cc2[N+](=O)[O-])c(C)s1 ZINC000159845885 366953616 /nfs/dbraw/zinc/95/36/16/366953616.db2.gz OYDDMRASCFNZAC-SSDOTTSWSA-N 0 1 294.336 2.487 20 5 CEBDMN C[C@@H]1CCC[C@@H](CCNC(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000160051082 366968437 /nfs/dbraw/zinc/96/84/37/366968437.db2.gz LSINPRMKHWAIDY-ZJUUUORDSA-N 0 1 280.328 2.264 20 5 CEBDMN Cc1cc(C[C@H](C)NC(=O)c2ccc([N+](=O)[O-])s2)n[nH]1 ZINC000161207972 367067906 /nfs/dbraw/zinc/06/79/06/367067906.db2.gz VGCGTAGHKCTIMV-ZETCQYMHSA-N 0 1 294.336 2.049 20 5 CEBDMN Cc1sc(C(=O)N[C@H]2CCCN(C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000343542537 367873888 /nfs/dbraw/zinc/87/38/88/367873888.db2.gz YHDQBHBYSWWNCI-SCZZXKLOSA-N 0 1 297.380 2.177 20 5 CEBDMN O=C(N[C@@H]1CC[C@H]2CCC[C@@H]2C1)c1n[nH]cc1[N+](=O)[O-] ZINC000408031154 284097629 /nfs/dbraw/zinc/09/76/29/284097629.db2.gz KZSAAHVQBGCVFM-OPRDCNLKSA-N 0 1 278.312 2.017 20 5 CEBDMN C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[C@@H](C)[C@H](O)C1 ZINC000330658912 203088076 /nfs/dbraw/zinc/08/80/76/203088076.db2.gz PIPRZNZFXLSSLT-UHIISALHSA-N 0 1 264.325 2.359 20 5 CEBDMN CSC[C@H](O)CN(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000188101797 369295847 /nfs/dbraw/zinc/29/58/47/369295847.db2.gz NKLXGPVVARSQFY-CYBMUJFWSA-N 0 1 296.392 2.283 20 5 CEBDMN CCc1[nH]nc(C(=O)N(CC)C2CCCC2)c1[N+](=O)[O-] ZINC000188204151 369317862 /nfs/dbraw/zinc/31/78/62/369317862.db2.gz GTYINXMQFUBULD-UHFFFAOYSA-N 0 1 280.328 2.285 20 5 CEBDMN CC[C@]1(CO)CCCN1Cc1cc([N+](=O)[O-])ccc1OC ZINC000189661085 369553554 /nfs/dbraw/zinc/55/35/54/369553554.db2.gz SYSRZPFBCDJIMX-OAHLLOKOSA-N 0 1 294.351 2.340 20 5 CEBDMN Cc1nnc(CCNCc2ccc([N+](=O)[O-])cc2F)s1 ZINC000352472521 369746587 /nfs/dbraw/zinc/74/65/87/369746587.db2.gz GFLKUXOUMFUSJH-UHFFFAOYSA-N 0 1 296.327 2.226 20 5 CEBDMN Cc1cc(NCCN2CCSCC2)ccc1[N+](=O)[O-] ZINC000226231310 370330910 /nfs/dbraw/zinc/33/09/10/370330910.db2.gz ZGTISHGOOBLGAW-UHFFFAOYSA-N 0 1 281.381 2.364 20 5 CEBDMN COc1ccc([N+](=O)[O-])cc1CN1CCC[C@@](C)(O)CC1 ZINC000230376378 370458890 /nfs/dbraw/zinc/45/88/90/370458890.db2.gz KLHPNEUYWHTLES-OAHLLOKOSA-N 0 1 294.351 2.340 20 5 CEBDMN Cc1c(CN[C@@H](C)c2ccnn2C)cccc1[N+](=O)[O-] ZINC000235526309 370569055 /nfs/dbraw/zinc/56/90/55/370569055.db2.gz ZKHNHRSSISRLPU-NSHDSACASA-N 0 1 274.324 2.488 20 5 CEBDMN CCn1c(C)nc([N+](=O)[O-])c1N1C[C@@H](C)N(CC)C[C@@H]1C ZINC000361040728 371613762 /nfs/dbraw/zinc/61/37/62/371613762.db2.gz ARCYHHKFAJBHFH-MNOVXSKESA-N 0 1 295.387 2.039 20 5 CEBDMN Cc1ccc(-c2nc(C3(N)CCC3)no2)cc1[N+](=O)[O-] ZINC000261929651 371775346 /nfs/dbraw/zinc/77/53/46/371775346.db2.gz LKLSDZYIJRCIAZ-UHFFFAOYSA-N 0 1 274.280 2.291 20 5 CEBDMN O=C([O-])C1CC[NH+](Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000262640283 371890270 /nfs/dbraw/zinc/89/02/70/371890270.db2.gz ITXNDXPPHWCGKX-UHFFFAOYSA-N 0 1 282.271 2.031 20 5 CEBDMN C[C@H]1C[C@H](CO)CCN1Cc1ccccc1[N+](=O)[O-] ZINC000344116050 217057464 /nfs/dbraw/zinc/05/74/64/217057464.db2.gz AUORZXBMOURGBW-NWDGAFQWSA-N 0 1 264.325 2.188 20 5 CEBDMN COc1ccc(CN2CC[C@@H](CO)C[C@H]2C)cc1[N+](=O)[O-] ZINC000344126601 217062858 /nfs/dbraw/zinc/06/28/58/217062858.db2.gz IZUJSCHQBBRMRX-DGCLKSJQSA-N 0 1 294.351 2.196 20 5 CEBDMN COc1ccc(CN2CC[C@@H](CO)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000344126602 217063983 /nfs/dbraw/zinc/06/39/83/217063983.db2.gz IZUJSCHQBBRMRX-WCQYABFASA-N 0 1 294.351 2.196 20 5 CEBDMN COc1ccccc1[C@@H]1CCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000363094057 372626362 /nfs/dbraw/zinc/62/63/62/372626362.db2.gz QROYAJMQTZPPTP-FRRDWIJNSA-N 0 1 290.319 2.024 20 5 CEBDMN CN(Cc1csc([N+](=O)[O-])c1)C[C@H]1CCC[C@@H]1O ZINC000270063026 372653296 /nfs/dbraw/zinc/65/32/96/372653296.db2.gz HFVKDBPJXZBVIM-MNOVXSKESA-N 0 1 270.354 2.249 20 5 CEBDMN CCOc1ccc([N+](=O)[O-])cc1CN1C[C@H](O)[C@H](CC)C1 ZINC000270996138 373055160 /nfs/dbraw/zinc/05/51/60/373055160.db2.gz YMQHOSVVDQBSPE-RISCZKNCSA-N 0 1 294.351 2.196 20 5 CEBDMN O=C(NCC1CCSCC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272537468 373540371 /nfs/dbraw/zinc/54/03/71/373540371.db2.gz NKKCJNITPKQWOO-UHFFFAOYSA-N 0 1 296.348 2.173 20 5 CEBDMN CC[C@@H](C)c1nc([C@H](C)Nc2ncc([N+](=O)[O-])cn2)n[nH]1 ZINC000276761820 374291832 /nfs/dbraw/zinc/29/18/32/374291832.db2.gz AHLQBJQHMOVQHE-SFYZADRCSA-N 0 1 291.315 2.190 20 5 CEBDMN Cc1ccc(-c2cnccn2)cc1NC(=O)[C@H]1C[C@@H]1[N+](=O)[O-] ZINC000373631250 374394397 /nfs/dbraw/zinc/39/43/97/374394397.db2.gz LZFVDNVRFPSOIO-FZMZJTMJSA-N 0 1 298.302 2.056 20 5 CEBDMN CC[C@H](C)[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])C(F)(F)F ZINC000278155018 374736691 /nfs/dbraw/zinc/73/66/91/374736691.db2.gz OTTHXXLSQIEZIB-XNCJUZBTSA-N 0 1 294.233 2.025 20 5 CEBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCCn2c(cc3ccccc32)C1 ZINC000377146618 374801830 /nfs/dbraw/zinc/80/18/30/374801830.db2.gz MOPXUUCINFEWMN-UKRRQHHQSA-N 0 1 299.330 2.039 20 5 CEBDMN C[C@H]1CCC[C@H](CO)N1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000283072696 375649254 /nfs/dbraw/zinc/64/92/54/375649254.db2.gz KFKBVMLIIFZMQU-CMPLNLGQSA-N 0 1 282.315 2.469 20 5 CEBDMN Cc1nc([C@H](C)Nc2c(F)cccc2[N+](=O)[O-])n[nH]1 ZINC000286272619 375893619 /nfs/dbraw/zinc/89/36/19/375893619.db2.gz FUBXFPXWRZXBCD-LURJTMIESA-N 0 1 265.248 2.334 20 5 CEBDMN O=[N+]([O-])c1cccc(F)c1NCCCCN1CCOCC1 ZINC000286515666 375980502 /nfs/dbraw/zinc/98/05/02/375980502.db2.gz XBHQGJPKVQFUAP-UHFFFAOYSA-N 0 1 297.330 2.258 20 5 CEBDMN O=C(NC[C@H]1CCCSC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000288007935 376359381 /nfs/dbraw/zinc/35/93/81/376359381.db2.gz IZQGOMVMDGHVTH-SECBINFHSA-N 0 1 296.348 2.173 20 5 CEBDMN CC(C)[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2)CCN1C ZINC000331132013 377296401 /nfs/dbraw/zinc/29/64/01/377296401.db2.gz JKGLYEMPESBVJK-CQSZACIVSA-N 0 1 291.351 2.007 20 5 CEBDMN CO[C@H](CNCc1csc([N+](=O)[O-])c1)C1CC1 ZINC000292906731 377346417 /nfs/dbraw/zinc/34/64/17/377346417.db2.gz FBKIAMUHFGVRHJ-SNVBAGLBSA-N 0 1 256.327 2.171 20 5 CEBDMN O=C(NCc1ccccc1F)c1cc(O)cc([N+](=O)[O-])c1 ZINC000427938991 377469928 /nfs/dbraw/zinc/46/99/28/377469928.db2.gz SRLWRQOFPKFBGP-UHFFFAOYSA-N 0 1 290.250 2.370 20 5 CEBDMN C[C@@H]1CN(CCOc2ccccc2[N+](=O)[O-])[C@@H]1C ZINC000293336465 377525994 /nfs/dbraw/zinc/52/59/94/377525994.db2.gz GVZZFFMGAFZLKI-GHMZBOCLSA-N 0 1 250.298 2.314 20 5 CEBDMN COC[C@H]1CCN(Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000265824199 190210494 /nfs/dbraw/zinc/21/04/94/190210494.db2.gz SNCFUYSYKUSVIP-NSHDSACASA-N 0 1 280.324 2.072 20 5 CEBDMN CC[N@@H+](Cc1ccc(C)c([N+](=O)[O-])c1)[C@@H](C)CO ZINC000293715867 377720063 /nfs/dbraw/zinc/72/00/63/377720063.db2.gz SWGIQGGGIBCVBD-NSHDSACASA-N 0 1 252.314 2.106 20 5 CEBDMN CCC[C@@]1(COC)CCCN1Cc1c([N+](=O)[O-])ncn1C ZINC000447392822 378107056 /nfs/dbraw/zinc/10/70/56/378107056.db2.gz CKTLSGBTNOXSKG-AWEZNQCLSA-N 0 1 296.371 2.109 20 5 CEBDMN CC[N@H+]1CCC[C@@H]1CNc1ccc([N+](=O)[O-])c(N)c1F ZINC000296632495 378598049 /nfs/dbraw/zinc/59/80/49/378598049.db2.gz VSQHVTCAFZFHNR-SECBINFHSA-N 0 1 282.319 2.212 20 5 CEBDMN Cc1ccc(NC(=O)NC[C@@H]2CCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000299262310 378946169 /nfs/dbraw/zinc/94/61/69/378946169.db2.gz VTPYCXFQSZGPBH-LBPRGKRZSA-N 0 1 292.339 2.119 20 5 CEBDMN C[C@H](C1CC1)N(C)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000299260659 378947031 /nfs/dbraw/zinc/94/70/31/378947031.db2.gz GQSJIPBISLSJEJ-MRVPVSSYSA-N 0 1 288.307 2.342 20 5 CEBDMN CC(C)[C@@H]1C[C@H]1NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000458109594 380011253 /nfs/dbraw/zinc/01/12/53/380011253.db2.gz FSABFNDRKVYDOU-NWDGAFQWSA-N 0 1 264.281 2.075 20 5 CEBDMN COCCO[C@H]1CCN([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000275560681 285114142 /nfs/dbraw/zinc/11/41/42/285114142.db2.gz NRSQXRMOXSIISF-STQMWFEESA-N 0 1 294.351 2.393 20 5 CEBDMN Cc1cc(N2CCN(C)C[C@H]2C(C)C)ncc1[N+](=O)[O-] ZINC000301429394 394460488 /nfs/dbraw/zinc/46/04/88/394460488.db2.gz JASHHANWGHDOFB-ZDUSSCGKSA-N 0 1 278.356 2.075 20 5 CEBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@@H]1Cc1cccc(F)c1 ZINC000364486625 394910428 /nfs/dbraw/zinc/91/04/28/394910428.db2.gz UPILQWBJLDJXOF-MGPQQGTHSA-N 0 1 292.310 2.024 20 5 CEBDMN Cc1cc([N+](=O)[O-])ccc1N1CCC[C@H](c2nc[nH]n2)C1 ZINC000370845168 395017276 /nfs/dbraw/zinc/01/72/76/395017276.db2.gz YNMGEGRUEXDOEI-NSHDSACASA-N 0 1 287.323 2.405 20 5 CEBDMN O=[N+]([O-])c1cc(F)ccc1N[C@@H]1CCc2[nH]cnc2C1 ZINC000370859738 395019075 /nfs/dbraw/zinc/01/90/75/395019075.db2.gz FNXIVWBIOCRGEW-SECBINFHSA-N 0 1 276.271 2.426 20 5 CEBDMN CN1CCN(c2ccc([N+](=O)[O-])nc2)[C@@H](c2ccccc2)C1 ZINC000344414767 395054435 /nfs/dbraw/zinc/05/44/35/395054435.db2.gz GNWQKCAHPADTIF-OAHLLOKOSA-N 0 1 298.346 2.483 20 5 CEBDMN COC(=O)C[C@H](C)SCc1cc(O)ccc1[N+](=O)[O-] ZINC000436477548 395119366 /nfs/dbraw/zinc/11/93/66/395119366.db2.gz YPEDRJIVGGOVRL-QMMMGPOBSA-N 0 1 285.321 2.485 20 5 CEBDMN CC1(C)C[C@@H](NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CO1 ZINC000418028893 395174573 /nfs/dbraw/zinc/17/45/73/395174573.db2.gz HWTPAPNKUVLAPO-SECBINFHSA-N 0 1 290.323 2.128 20 5 CEBDMN CC(C)c1[nH]nc(C(=O)N2[C@@H](C)CC[C@@H]2C)c1[N+](=O)[O-] ZINC000408400652 395298585 /nfs/dbraw/zinc/29/85/85/395298585.db2.gz VUKVNOCIBNAQKU-IUCAKERBSA-N 0 1 280.328 2.454 20 5 CEBDMN C[C@H]1CC[C@@H](NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000444480190 395433562 /nfs/dbraw/zinc/43/35/62/395433562.db2.gz JWZOEQWVCLPCPX-DTWKUNHWSA-N 0 1 288.307 2.390 20 5 CEBDMN CC[C@H]1[C@@H](CO)CCN1Cc1c(F)cccc1[N+](=O)[O-] ZINC000451256076 395599729 /nfs/dbraw/zinc/59/97/29/395599729.db2.gz OIUBJVKTVCVFBP-MFKMUULPSA-N 0 1 282.315 2.327 20 5 CEBDMN O=[N+]([O-])c1ccccc1CN1CC[C@@H](O)CC12CCC2 ZINC000572831323 395589167 /nfs/dbraw/zinc/58/91/67/395589167.db2.gz PCDUKKIFHPJQAH-CYBMUJFWSA-N 0 1 276.336 2.474 20 5 CEBDMN CCn1nc(C)c([N+](=O)[O-])c1N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000226881624 153336576 /nfs/dbraw/zinc/33/65/76/153336576.db2.gz HZUJLQVVYNSADH-GXSJLCMTSA-N 0 1 281.360 2.014 20 5 CEBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1Cc2ccccc2C2(CCC2)C1 ZINC000376029432 157179158 /nfs/dbraw/zinc/17/91/58/157179158.db2.gz NRZPZTRMGFDWSQ-OCCSQVGLSA-N 0 1 286.331 2.116 20 5 CEBDMN O=C([O-])C[C@@H]1CCCC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000038027759 174013591 /nfs/dbraw/zinc/01/35/91/174013591.db2.gz QOUXBAXOZHKLNP-LBPRGKRZSA-N 0 1 278.308 2.424 20 5 CEBDMN O=C([O-])C[C@@H]1CCCC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000038027531 174014201 /nfs/dbraw/zinc/01/42/01/174014201.db2.gz IKMZQFIJTRTKQZ-LBPRGKRZSA-N 0 1 278.308 2.424 20 5 CEBDMN CN1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000040690806 174376795 /nfs/dbraw/zinc/37/67/95/174376795.db2.gz JSDQBFWCTXXSAI-VIFPVBQESA-N 0 1 297.742 2.072 20 5 CEBDMN O=C([C@H]1CC1[N+](=O)[O-])N1CCC(c2ccccc2)CC1 ZINC000044466590 175177759 /nfs/dbraw/zinc/17/77/59/175177759.db2.gz PVSAMNWBKVRQPM-KBPBESRZSA-N 0 1 274.320 2.058 20 5 CEBDMN COCCCCN(C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000419376767 270442555 /nfs/dbraw/zinc/44/25/55/270442555.db2.gz BNEOJLPBEYXAOP-UHFFFAOYSA-N 0 1 292.339 2.330 20 5 CEBDMN C[C@@H](Sc1nc(N)cc(N)n1)c1ccccc1[N+](=O)[O-] ZINC000361251636 274275328 /nfs/dbraw/zinc/27/53/28/274275328.db2.gz MXEYAGMWXGEPJQ-SSDOTTSWSA-N 0 1 291.336 2.233 20 5 CEBDMN CC(C)c1[nH]nc(C(=O)N2CCCSCC2)c1[N+](=O)[O-] ZINC000269369141 276040605 /nfs/dbraw/zinc/04/06/05/276040605.db2.gz LQRYVTZZXPFYNC-UHFFFAOYSA-N 0 1 298.368 2.020 20 5 CEBDMN CC(C)c1[nH]nc(C(=O)N2CC[C@H](C)[C@H]2C)c1[N+](=O)[O-] ZINC000269336992 278000745 /nfs/dbraw/zinc/00/07/45/278000745.db2.gz BNOFPUXFHLCLJK-DTWKUNHWSA-N 0 1 280.328 2.312 20 5 CEBDMN Cc1cc(C(=O)N2CCN(C)CC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000354006856 280329233 /nfs/dbraw/zinc/32/92/33/280329233.db2.gz OBFHBXMUTXAWQU-LBPRGKRZSA-N 0 1 291.351 2.069 20 5 CEBDMN CCc1[nH]nc(C(=O)N2CC[C@H](C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000178895636 281363196 /nfs/dbraw/zinc/36/31/96/281363196.db2.gz MJYKUOHNKFAKEX-UWVGGRQHSA-N 0 1 294.355 2.389 20 5 CEBDMN O=[N+]([O-])c1ccc(CN2CC3(C2)CCOCC3)cc1 ZINC000459621024 290197245 /nfs/dbraw/zinc/19/72/45/290197245.db2.gz OHMVFBQBSQKKLV-UHFFFAOYSA-N 0 1 262.309 2.207 20 5 CEBDMN COC[C@H](N[C@H](C)c1ccccc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000278889357 293166110 /nfs/dbraw/zinc/16/61/10/293166110.db2.gz XEBAIUZJTWAINV-ZLDLUXBVSA-N 0 1 294.351 2.439 20 5 CEBDMN CC(C)[C@@H](C)NC(=O)CN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180426984 312767883 /nfs/dbraw/zinc/76/78/83/312767883.db2.gz PQJSUMGAAUVKSA-NEPJUHHUSA-N 0 1 293.367 2.406 20 5 CEBDMN COc1cccc([N+](=O)[O-])c1N1CCN(CC(C)C)CC1 ZINC000576121778 314244709 /nfs/dbraw/zinc/24/47/09/314244709.db2.gz MTTHJVPVXVYSLN-UHFFFAOYSA-N 0 1 293.367 2.381 20 5 CEBDMN CC(C)C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)CC(=O)[O-] ZINC000062742836 519717275 /nfs/dbraw/zinc/71/72/75/519717275.db2.gz VFQUDWIHGBMSAI-UHFFFAOYSA-N 0 1 280.324 2.180 20 5 CEBDMN C[C@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)N1CCCC1 ZINC000056197197 525535375 /nfs/dbraw/zinc/53/53/75/525535375.db2.gz VDPBKCSTQLPPNL-RYUDHWBXSA-N 0 1 291.351 2.256 20 5 CEBDMN O=C([C@H]1CC1[N+](=O)[O-])N1CC=C(c2ccccc2F)CC1 ZINC000364966159 526562949 /nfs/dbraw/zinc/56/29/49/526562949.db2.gz FZRUPNJWVQWDDO-JSGCOSHPSA-N 0 1 290.294 2.107 20 5 CEBDMN C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCCN(C(=O)[O-])CC1 ZINC000739056772 574891666 /nfs/dbraw/zinc/89/16/66/574891666.db2.gz FYKYEQJIMJQUMF-NSHDSACASA-N 0 1 293.323 2.342 20 5 CEBDMN C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCCN(C(=O)[O-])CC1 ZINC000739056772 574891668 /nfs/dbraw/zinc/89/16/68/574891668.db2.gz FYKYEQJIMJQUMF-NSHDSACASA-N 0 1 293.323 2.342 20 5 CEBDMN C[C@@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2)CC[C@H]1NC(=O)[O-] ZINC000739191560 574898738 /nfs/dbraw/zinc/89/87/38/574898738.db2.gz PNRNDEQDRNTUQS-ZWNOBZJWSA-N 0 1 293.323 2.073 20 5 CEBDMN Cc1nn(CN2C[C@@H](C)C[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000740860800 574969879 /nfs/dbraw/zinc/96/98/79/574969879.db2.gz INPWSUCNRIQAJH-IUCAKERBSA-N 0 1 252.318 2.096 20 5 CEBDMN COc1ccc(OC(=O)c2ccc([N+](=O)[O-])[nH]2)cc1OC ZINC000744321457 575118915 /nfs/dbraw/zinc/11/89/15/575118915.db2.gz SBNLCOWGCBMSIB-UHFFFAOYSA-N 0 1 292.247 2.159 20 5 CEBDMN O=C(OCc1ccsc1)c1ccc([N+](=O)[O-])[nH]1 ZINC000744235152 575117040 /nfs/dbraw/zinc/11/70/40/575117040.db2.gz JZSDULJBFGDMCG-UHFFFAOYSA-N 0 1 252.251 2.341 20 5 CEBDMN C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])CCC(=O)[O-] ZINC000820580050 598127093 /nfs/dbraw/zinc/12/70/93/598127093.db2.gz QUNZXDJSUSZUHU-GQCTYLIASA-N 0 1 264.281 2.015 20 5 CEBDMN Cc1c(C[N@H+](C)[C@H]2CCN(C(=O)[O-])C2)cccc1[N+](=O)[O-] ZINC000829859576 603486479 /nfs/dbraw/zinc/48/64/79/603486479.db2.gz OKYICQOMDPJWAZ-LBPRGKRZSA-N 0 1 293.323 2.087 20 5 CEBDMN C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H](N(C)C(=O)[O-])C1 ZINC000825631584 603797189 /nfs/dbraw/zinc/79/71/89/603797189.db2.gz ZWJZCEXXLKWMPM-GWCFXTLKSA-N 0 1 293.323 2.340 20 5 CEBDMN C[C@H]1CSCCCN1Cc1cccnc1[N+](=O)[O-] ZINC000934297007 624395918 /nfs/dbraw/zinc/39/59/18/624395918.db2.gz WZOVZGZTZWVFGQ-JTQLQIEISA-N 0 1 267.354 2.317 20 5 CEBDMN Cc1nn(CN2C[C@H](C)[C@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000841693792 628924354 /nfs/dbraw/zinc/92/43/54/628924354.db2.gz VMRSJMFIABNIRV-QXEWZRGKSA-N 0 1 252.318 2.034 20 5 CEBDMN Cc1ccc(COC(=O)[C@@H]2CC2[N+](=O)[O-])c(Cl)c1 ZINC000840672578 629315866 /nfs/dbraw/zinc/31/58/66/629315866.db2.gz BPKINUVYLFZSJO-MWLCHTKSSA-N 0 1 269.684 2.357 20 5 CEBDMN Cc1nc([C@H](C)NCc2c(C)ccc([N+](=O)[O-])c2C)n[nH]1 ZINC000894777805 629633030 /nfs/dbraw/zinc/63/30/30/629633030.db2.gz MTBKWUBDIDHIHA-JTQLQIEISA-N 0 1 289.339 2.489 20 5 CEBDMN COc1cc([N+](=O)[O-])ccc1CON=C(N)C(C)C ZINC000797421792 630231624 /nfs/dbraw/zinc/23/16/24/630231624.db2.gz CJNKJOWGCWDCQR-UHFFFAOYSA-N 0 1 267.285 2.258 20 5 CEBDMN O=[N+]([O-])c1ccc(CN2C[C@@H]3[C@H](O)CC[C@@H]3C2)cc1Cl ZINC000895781546 630349744 /nfs/dbraw/zinc/34/97/44/630349744.db2.gz YGUGTIIQAMJQEF-UHIISALHSA-N 0 1 296.754 2.451 20 5 CEBDMN CC(C)(C)N1CC[C@H]1C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000895798120 630353245 /nfs/dbraw/zinc/35/32/45/630353245.db2.gz ATNVCCFFJPMKBG-ZDUSSCGKSA-N 0 1 291.351 2.084 20 5 CEBDMN Cc1cnc(N2CCN(C)C[C@H]2CC(C)C)c([N+](=O)[O-])c1 ZINC000896650669 630625230 /nfs/dbraw/zinc/62/52/30/630625230.db2.gz KTHMULSNJWSPQU-CYBMUJFWSA-N 0 1 292.383 2.465 20 5 CEBDMN Cc1nc([C@@H](C)OC(=O)c2cccc(C)c2[N+](=O)[O-])n[nH]1 ZINC000839967789 631431431 /nfs/dbraw/zinc/43/14/31/631431431.db2.gz FAZYOBFBOAYAHU-MRVPVSSYSA-N 0 1 290.279 2.248 20 5 CEBDMN Cc1nc([C@@H](C)OC(=O)c2cccc([N+](=O)[O-])c2C)n[nH]1 ZINC000840019520 631636465 /nfs/dbraw/zinc/63/64/65/631636465.db2.gz MNGHMRSGCZZUQI-MRVPVSSYSA-N 0 1 290.279 2.248 20 5 CEBDMN O=c1cc(C2CCOCC2)[nH]n1-c1ccc([N+](=O)[O-])cc1 ZINC000899349198 632798676 /nfs/dbraw/zinc/79/86/76/632798676.db2.gz XRAMADLEBVDWNO-UHFFFAOYSA-N 0 1 289.291 2.114 20 5 CEBDMN COCc1ccc(COC(=O)c2ccc([N+](=O)[O-])[nH]2)cc1 ZINC000816247095 633159872 /nfs/dbraw/zinc/15/98/72/633159872.db2.gz LUQOGIYTYBUTBI-UHFFFAOYSA-N 0 1 290.275 2.426 20 5 CEBDMN C[C@@]1(C(=O)OCc2cc(O)ccc2[N+](=O)[O-])CC1(F)F ZINC000817250273 633609272 /nfs/dbraw/zinc/60/92/72/633609272.db2.gz JHTJKHSCGJJROF-NSHDSACASA-N 0 1 287.218 2.389 20 5 CEBDMN Cc1nc([C@@H]2CCN(c3ccc([N+](=O)[O-])cc3)C2)n[nH]1 ZINC000840378854 634134918 /nfs/dbraw/zinc/13/49/18/634134918.db2.gz VLOYMLTZRGQKOM-SNVBAGLBSA-N 0 1 273.296 2.015 20 5 CEBDMN Cc1nnc([C@@H]2CCN(c3ccc([N+](=O)[O-])cc3)C2)[nH]1 ZINC000840378854 634134924 /nfs/dbraw/zinc/13/49/24/634134924.db2.gz VLOYMLTZRGQKOM-SNVBAGLBSA-N 0 1 273.296 2.015 20 5 CEBDMN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N(C)Cc1cnc[nH]1 ZINC000824361843 635413584 /nfs/dbraw/zinc/41/35/84/635413584.db2.gz UBOQVDQKQYFNTR-UHFFFAOYSA-N 0 1 288.307 2.207 20 5 CEBDMN Cc1cc(Br)ccc1CNCC[N+](=O)[O-] ZINC000905107243 635818936 /nfs/dbraw/zinc/81/89/36/635818936.db2.gz XLEAXXPEGQNJSR-UHFFFAOYSA-N 0 1 273.130 2.124 20 5 CEBDMN COC(=O)N(C)CCN(C)Cc1ccc([N+](=O)[O-])cc1C ZINC000827340883 636299077 /nfs/dbraw/zinc/29/90/77/636299077.db2.gz SVUOGQCORUPOJL-UHFFFAOYSA-N 0 1 295.339 2.033 20 5 CEBDMN O=C(OCc1cc(O)ccc1[N+](=O)[O-])C1(C(F)F)CC1 ZINC000830034158 636973793 /nfs/dbraw/zinc/97/37/93/636973793.db2.gz QVFAULGXWBSJAN-UHFFFAOYSA-N 0 1 287.218 2.389 20 5 CEBDMN O=[N+]([O-])c1ccc([C@@H]2CCCN(CC3OCCO3)C2)cc1 ZINC000831538395 637365974 /nfs/dbraw/zinc/36/59/74/637365974.db2.gz BXNXCWBYXUJFPY-CYBMUJFWSA-N 0 1 292.335 2.147 20 5 CEBDMN O=C(OCc1cc(O)ccc1[N+](=O)[O-])[C@H]1C[C@@H]1C(F)F ZINC000837710009 639351998 /nfs/dbraw/zinc/35/19/98/639351998.db2.gz DWQXVJRAQCYNFQ-IUCAKERBSA-N 0 1 287.218 2.245 20 5 CEBDMN COCC1(C(=O)OCc2cc(O)ccc2[N+](=O)[O-])CCC1 ZINC000837715524 639353649 /nfs/dbraw/zinc/35/36/49/639353649.db2.gz RJFARUJFHAHDPX-UHFFFAOYSA-N 0 1 295.291 2.160 20 5 CEBDMN O=C(OCCc1ccccc1Cl)[C@@H]1CC1[N+](=O)[O-] ZINC000840673626 639521091 /nfs/dbraw/zinc/52/10/91/639521091.db2.gz WDSFNZCDUUITSR-MWLCHTKSSA-N 0 1 269.684 2.091 20 5 CEBDMN CC(C)(C)c1nc(COC(=O)[C@@H]2CC2[N+](=O)[O-])cs1 ZINC000840672742 639521169 /nfs/dbraw/zinc/52/11/69/639521169.db2.gz MSFNFWJZFVFSDO-RKDXNWHRSA-N 0 1 284.337 2.149 20 5 CEBDMN C[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)CCN1 ZINC000841103224 639679290 /nfs/dbraw/zinc/67/92/90/639679290.db2.gz NPIBLLYNZHFCHF-MRVPVSSYSA-N 0 1 298.730 2.074 20 5 CEBDMN C[S@@](=O)CCCNCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000229229684 639684881 /nfs/dbraw/zinc/68/48/81/639684881.db2.gz HFEVVIZZMNWYSJ-GOSISDBHSA-N 0 1 290.772 2.106 20 5 CEBDMN CC1(C)C[C@H](OC(=O)[C@@H]2CC2[N+](=O)[O-])c2ccccc2O1 ZINC000841219770 639710219 /nfs/dbraw/zinc/71/02/19/639710219.db2.gz OCPBKAVGELAYCW-WZRBSPASSA-N 0 1 291.303 2.497 20 5 CEBDMN CC(C)(COC(=O)[C@@H]1CC1[N+](=O)[O-])COc1ccccc1 ZINC000842354267 640026455 /nfs/dbraw/zinc/02/64/55/640026455.db2.gz WUCVARSXPZFJLW-CHWSQXEVSA-N 0 1 293.319 2.300 20 5 CEBDMN C[C@H](CCCc1cccnc1)OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000842371025 640033160 /nfs/dbraw/zinc/03/31/60/640033160.db2.gz BXLINBPOYNHKEQ-RAIGVLPGSA-N 0 1 278.308 2.001 20 5 CEBDMN CCNCc1nc(-c2ccc([N+](=O)[O-])cc2C)no1 ZINC000843187961 640338452 /nfs/dbraw/zinc/33/84/52/640338452.db2.gz VQPAPDJTDWBXEX-UHFFFAOYSA-N 0 1 262.269 2.063 20 5 CEBDMN O=C(N[C@@H](C1CCC1)C1CCCC1)[C@@H]1CC1[N+](=O)[O-] ZINC000843666998 640490902 /nfs/dbraw/zinc/49/09/02/640490902.db2.gz GQCIVMYNAXPPNW-JHJVBQTASA-N 0 1 266.341 2.127 20 5 CEBDMN CCON(C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)C(C)C ZINC000844082072 640598576 /nfs/dbraw/zinc/59/85/76/640598576.db2.gz MXZNYSDZOCCVMV-UHFFFAOYSA-N 0 1 292.295 2.273 20 5 CEBDMN C/C(=C\C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1)C(=O)[O-] ZINC000846263033 641246957 /nfs/dbraw/zinc/24/69/57/641246957.db2.gz XJVBAUFHOBXRNN-IZZDOVSWSA-N 0 1 278.308 2.100 20 5 CEBDMN O=C(OC[C@H]1CCC1(F)F)c1ccc([N+](=O)[O-])[nH]1 ZINC000851312040 642978139 /nfs/dbraw/zinc/97/81/39/642978139.db2.gz FENFFXXVZWHNJV-ZCFIWIBFSA-N 0 1 260.196 2.125 20 5 CEBDMN CC1(C)CCC[C@](O)(COC(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000851355732 642993723 /nfs/dbraw/zinc/99/37/23/642993723.db2.gz ZCWWYAICRPLIQN-CQSZACIVSA-N 0 1 296.323 2.411 20 5 CEBDMN C[C@@]12COC[C@@H]1CN(Cc1ccc([N+](=O)[O-])c(F)c1)C2 ZINC000852534740 643461407 /nfs/dbraw/zinc/46/14/07/643461407.db2.gz OUZQUGDUBKTASE-SMDDNHRTSA-N 0 1 280.299 2.202 20 5 CEBDMN Cc1c(-c2noc(CNC(C)C)n2)cccc1[N+](=O)[O-] ZINC000854160168 644001478 /nfs/dbraw/zinc/00/14/78/644001478.db2.gz NDKGHXFIVLMDHW-UHFFFAOYSA-N 0 1 276.296 2.451 20 5 CEBDMN O=C(N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)[C@@H]1CC1[N+](=O)[O-] ZINC000839471457 644236681 /nfs/dbraw/zinc/23/66/81/644236681.db2.gz WFNBFYCDMMZCKL-ZOLYEBIHSA-N 0 1 266.341 2.127 20 5 CEBDMN COC(=O)C[C@@H](NCc1cc(F)ccc1[N+](=O)[O-])C1CC1 ZINC000754542272 644388017 /nfs/dbraw/zinc/38/80/17/644388017.db2.gz UFDZQWVKXZFXJR-GFCCVEGCSA-N 0 1 296.298 2.165 20 5 CEBDMN CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])[C@H](C)c1cccc(OC)c1 ZINC000839691383 644775714 /nfs/dbraw/zinc/77/57/14/644775714.db2.gz NDNPMXBSKGDWNV-LERXQTSPSA-N 0 1 292.335 2.270 20 5 CEBDMN CC[C@@H](Cc1ccccc1)N(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839693655 644776135 /nfs/dbraw/zinc/77/61/35/644776135.db2.gz PRGBZRARUDGUTG-BFHYXJOUSA-N 0 1 276.336 2.131 20 5 CEBDMN O=C(N[C@H]1CCC[C@@H](c2ccccc2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000839735948 644786661 /nfs/dbraw/zinc/78/66/61/644786661.db2.gz CMVSLZQZTQAHGY-LXTVHRRPSA-N 0 1 288.347 2.494 20 5 CEBDMN CCc1ccc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1CC ZINC000839717678 644790836 /nfs/dbraw/zinc/79/08/36/644790836.db2.gz GMEUHPLBCMPMJU-CHWSQXEVSA-N 0 1 262.309 2.415 20 5 CEBDMN COCc1csc(COC(=O)c2ccc([N+](=O)[O-])[nH]2)c1 ZINC000857041751 644797843 /nfs/dbraw/zinc/79/78/43/644797843.db2.gz TUARIKQAGXFVHW-UHFFFAOYSA-N 0 1 296.304 2.488 20 5 CEBDMN Cc1ccccc1C[C@@H](C)N(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839742485 644801773 /nfs/dbraw/zinc/80/17/73/644801773.db2.gz YKBMVQPWKPXISD-MRVWCRGKSA-N 0 1 276.336 2.050 20 5 CEBDMN C[C@H](CC1CCCCC1)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839746318 644803951 /nfs/dbraw/zinc/80/39/51/644803951.db2.gz VBGPRAZMGYITBS-YUSALJHKSA-N 0 1 254.330 2.127 20 5 CEBDMN CC(C)Cn1ncc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1C1CC1 ZINC000839771964 644810213 /nfs/dbraw/zinc/81/02/13/644810213.db2.gz XQEYYIOCPKTZFC-ZYHUDNBSSA-N 0 1 292.339 2.020 20 5 CEBDMN CCc1ccc(CCOC(=O)c2ccc([N+](=O)[O-])[nH]2)nc1 ZINC000764823571 645695202 /nfs/dbraw/zinc/69/52/02/645695202.db2.gz WMGAMOMAVPNYCO-UHFFFAOYSA-N 0 1 289.291 2.280 20 5 CEBDMN C[C@H](OC(=O)c1ccc([N+](=O)[O-])[nH]1)c1ncc(Cl)n1C ZINC000773879540 646784159 /nfs/dbraw/zinc/78/41/59/646784159.db2.gz PBBACUBAZVJTES-LURJTMIESA-N 0 1 298.686 2.228 20 5 CEBDMN CCO[C@@H]1COCC[C@H]1NCc1cc(F)ccc1[N+](=O)[O-] ZINC000776485685 647065881 /nfs/dbraw/zinc/06/58/81/647065881.db2.gz UNTROEQIRSODBG-TZMCWYRMSA-N 0 1 298.314 2.018 20 5 CEBDMN CN(Cc1ccc([N+](=O)[O-])c(Cl)c1)C1CC(O)C1 ZINC000783673637 647746640 /nfs/dbraw/zinc/74/66/40/647746640.db2.gz RAWNUSNOPKYCSP-UHFFFAOYSA-N 0 1 270.716 2.203 20 5 CEBDMN Cc1ccc(N2C[C@@H](C)N(C)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000785837760 647961979 /nfs/dbraw/zinc/96/19/79/647961979.db2.gz SLYJMJULHGJZQB-NEPJUHHUSA-N 0 1 263.341 2.432 20 5 CEBDMN CC(C)(C)CCNC(=O)[C@@](C)(N)c1cccc([N+](=O)[O-])c1 ZINC000867946134 647997152 /nfs/dbraw/zinc/99/71/52/647997152.db2.gz CDSXXFHIOWSWOT-HNNXBMFYSA-N 0 1 293.367 2.321 20 5 CEBDMN O=C(OCCN1CCCCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000869897487 648642704 /nfs/dbraw/zinc/64/27/04/648642704.db2.gz VXZHGTODQRSABU-UHFFFAOYSA-N 0 1 296.298 2.377 20 5 CEBDMN CN(Cn1cc([N+](=O)[O-])cn1)[C@H]1CCC(C)(C)C1 ZINC000794685591 648902933 /nfs/dbraw/zinc/90/29/33/648902933.db2.gz MCCHJUZTDIPQGE-JTQLQIEISA-N 0 1 252.318 2.259 20 5 CEBDMN COCCCN[C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872016111 649242142 /nfs/dbraw/zinc/24/21/42/649242142.db2.gz FAUCQMVQDWHCMJ-VIFPVBQESA-N 0 1 256.277 2.421 20 5 CEBDMN CO[C@H](C)CN[C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872064944 649260239 /nfs/dbraw/zinc/26/02/39/649260239.db2.gz PQUHAOUSZBZSSM-BDAKNGLRSA-N 0 1 256.277 2.419 20 5 CEBDMN C[C@@H](NCC[C@@H](O)C(F)F)c1c(F)cccc1[N+](=O)[O-] ZINC000872090358 649270395 /nfs/dbraw/zinc/27/03/95/649270395.db2.gz BOWTWYAWKNKJEC-GMSGAONNSA-N 0 1 292.257 2.401 20 5 CEBDMN CN1CCC[C@H]2[C@@H]1CCN2c1ncc([N+](=O)[O-])cc1Cl ZINC000872781732 649488984 /nfs/dbraw/zinc/48/89/84/649488984.db2.gz XWAHCWQHJLTSER-RYUDHWBXSA-N 0 1 296.758 2.316 20 5 CEBDMN CC(=O)c1c(NC2CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000881773161 651879994 /nfs/dbraw/zinc/87/99/94/651879994.db2.gz WEGPVFRKYHEXTI-UHFFFAOYSA-N 0 1 277.324 2.304 20 5 CEBDMN CCc1cc(CNc2ccnc(F)c2[N+](=O)[O-])n[nH]1 ZINC000881978507 651929529 /nfs/dbraw/zinc/92/95/29/651929529.db2.gz ROALBHHJCVASML-UHFFFAOYSA-N 0 1 265.248 2.027 20 5 CEBDMN CC(C)C[C@@H]1CCCN1Cn1nccc1[N+](=O)[O-] ZINC000129592625 652035607 /nfs/dbraw/zinc/03/56/07/652035607.db2.gz WFHNUYFRNYEDPT-NSHDSACASA-N 0 1 252.318 2.259 20 5 CEBDMN Cc1cc(Cl)c([N+](=O)[O-])c(N2C[C@@H](C)N(C)C[C@@H]2C)n1 ZINC001164632261 719184744 /nfs/dbraw/zinc/18/47/44/719184744.db2.gz DRNXAZZYDHGPGT-ZJUUUORDSA-N 0 1 298.774 2.480 20 5 CEBDMN CC(C)[C@@H](N)c1noc(-c2ccc(F)cc2[N+](=O)[O-])n1 ZINC000159933774 806846975 /nfs/dbraw/zinc/84/69/75/806846975.db2.gz FHLWYZVFWKEOOM-SNVBAGLBSA-N 0 1 280.259 2.440 20 5 CEBDMN CN1CC[C@H](Nc2ncc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC001167278303 802625163 /nfs/dbraw/zinc/62/51/63/802625163.db2.gz GPVCFVQKARARNY-ZETCQYMHSA-N 0 1 290.245 2.125 20 5 CEBDMN CCCN(CCNC(=O)CC)Cc1cccc([N+](=O)[O-])c1 ZINC001267309838 803354225 /nfs/dbraw/zinc/35/42/25/803354225.db2.gz UJWQXKLVOJSQDB-UHFFFAOYSA-N 0 1 293.367 2.333 20 5 CEBDMN O=[N+]([O-])c1ccc(Cl)cc1CN[C@@H]1CC12CC(O)C2 ZINC000724998653 803382342 /nfs/dbraw/zinc/38/23/42/803382342.db2.gz MZPQLHUWGOAUKP-YXMLORGKSA-N 0 1 282.727 2.251 20 5 CEBDMN CS[C@@H]1CC[C@@H](N(C)Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC001119249275 815079678 /nfs/dbraw/zinc/07/96/78/815079678.db2.gz AUNUFBLPBCSDET-GHMZBOCLSA-N 0 1 284.385 2.044 20 5 CEBDMN C[C@@H]1COC[C@H]1NCc1ccc([N+](=O)[O-])cc1Cl ZINC000699780857 807842165 /nfs/dbraw/zinc/84/21/65/807842165.db2.gz CMDQMAQEKHLSPT-PRHODGIISA-N 0 1 270.716 2.373 20 5 CEBDMN C[C@@H]1COC[C@@H]1NCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000699789815 807845981 /nfs/dbraw/zinc/84/59/81/807845981.db2.gz QWEXXLJWERSWEE-KCJUWKMLSA-N 0 1 270.716 2.373 20 5 CEBDMN C[C@H]1COC[C@@H]1NCc1cc([N+](=O)[O-])ccc1Cl ZINC000699841833 807869273 /nfs/dbraw/zinc/86/92/73/807869273.db2.gz AAHWCTQLWHCMRU-UFBFGSQYSA-N 0 1 270.716 2.373 20 5 CEBDMN O=[N+]([O-])c1ccc(CN[C@@H]2CC23CC(O)C3)c(Cl)c1 ZINC000725001163 811056678 /nfs/dbraw/zinc/05/66/78/811056678.db2.gz ZGEHQZSKWAKHMT-YXMLORGKSA-N 0 1 282.727 2.251 20 5 CEBDMN CN(CC(=O)c1ccccc1)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169035803 811346009 /nfs/dbraw/zinc/34/60/09/811346009.db2.gz CJVSZTQVVCVOKC-GXTWGEPZSA-N 0 1 276.336 2.247 20 5 CEBDMN CC(C)(C)c1ccc(NC[C@@H]2COCCN2)c([N+](=O)[O-])c1 ZINC001170045489 811999592 /nfs/dbraw/zinc/99/95/92/811999592.db2.gz VELUPFIUZMMCOB-GFCCVEGCSA-N 0 1 293.367 2.293 20 5 CEBDMN O=[N+]([O-])c1ccc2c(c1)CC[C@H](N1CCO[C@@H]3C[C@@H]31)CC2 ZINC001172919190 815544414 /nfs/dbraw/zinc/54/44/14/815544414.db2.gz FEBKXGSREWZQFA-VNQPRFMTSA-N 0 1 288.347 2.315 20 5 CEBDMN Cc1cc(NC(=O)[C@@H](C(C)C)N(C)C)cc([N+](=O)[O-])c1 ZINC001124126377 815599658 /nfs/dbraw/zinc/59/96/58/815599658.db2.gz LULDZFBSPLMXJN-CYBMUJFWSA-N 0 1 279.340 2.428 20 5 CEBDMN O=[N+]([O-])c1ccc(CN2CCC(CCO)CC2)cc1F ZINC000401157939 814721480 /nfs/dbraw/zinc/72/14/80/814721480.db2.gz YYQWSXLATWQNCI-UHFFFAOYSA-N 0 1 282.315 2.328 20 5 CEBDMN Cc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2F)on1 ZINC000036562094 814869404 /nfs/dbraw/zinc/86/94/04/814869404.db2.gz VFHZPZXBVPVHBV-UHFFFAOYSA-N 0 1 265.200 2.283 20 5 CEBDMN Cc1ccc(C[N@H+](CC(=O)[O-])CC(C)C)cc1[N+](=O)[O-] ZINC000714015655 814881700 /nfs/dbraw/zinc/88/17/00/814881700.db2.gz OHNYTXWMMBAOCI-UHFFFAOYSA-N 0 1 280.324 2.446 20 5 CEBDMN Nc1ccc(NC(=O)c2cccc3nc[nH]c32)cc1[N+](=O)[O-] ZINC001141767353 816585772 /nfs/dbraw/zinc/58/57/72/816585772.db2.gz HBPMLGWMQUBETF-UHFFFAOYSA-N 0 1 297.274 2.306 20 5 CEBDMN Cn1ccc(CNCCc2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC001178326138 816727047 /nfs/dbraw/zinc/72/70/47/816727047.db2.gz BEWHRXMXMJTFNF-UHFFFAOYSA-N 0 1 294.742 2.314 20 5 CEBDMN O=[N+]([O-])c1ccc(Cl)cc1NCCCc1nc[nH]n1 ZINC000124783775 187154383 /nfs/dbraw/zinc/15/43/83/187154383.db2.gz PNPXWFDJWCUYMD-UHFFFAOYSA-N 0 1 281.703 2.411 20 5 CEBDMN Cc1[nH]ncc1CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000037982971 361971105 /nfs/dbraw/zinc/97/11/05/361971105.db2.gz LPLZHQJEQWJVME-UHFFFAOYSA-N 0 1 294.698 2.210 20 5 CEBDMN COc1ccc([N+](=O)[O-])c(NCc2n[nH]c(C(C)C)n2)c1 ZINC000294977879 199280585 /nfs/dbraw/zinc/28/05/85/199280585.db2.gz OWCZGAKVNFJZTA-UHFFFAOYSA-N 0 1 291.311 2.457 20 5 CEBDMN O=c1cc(C[C@H]2CCCO2)[nH]n1-c1ccc([N+](=O)[O-])cc1 ZINC000601935526 346931480 /nfs/dbraw/zinc/93/14/80/346931480.db2.gz WZJAVGZNHIUJFJ-CYBMUJFWSA-N 0 1 289.291 2.257 20 5 CEBDMN Cc1cc(CNCCOc2ccc([N+](=O)[O-])cc2)on1 ZINC000044990926 343479058 /nfs/dbraw/zinc/47/90/58/343479058.db2.gz SHGCJAVAIOOICY-UHFFFAOYSA-N 0 1 277.280 2.060 20 5 CEBDMN Cc1ccc2[nH]c3c(c2c1)CN(C(=O)[C@@H]1CC1[N+](=O)[O-])CC3 ZINC000052531786 343562478 /nfs/dbraw/zinc/56/24/78/343562478.db2.gz LTXQTEKNIJOLCR-IAQYHMDHSA-N 0 1 299.330 2.026 20 5 CEBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@@H]1CCc1ccccc1 ZINC000055487902 343604745 /nfs/dbraw/zinc/60/47/45/343604745.db2.gz QUVRFCSFITWCKE-KFWWJZLASA-N 0 1 288.347 2.275 20 5 CEBDMN CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N(C)C ZINC000602160201 346984619 /nfs/dbraw/zinc/98/46/19/346984619.db2.gz LQEAKZHABZFUTG-SNVBAGLBSA-N 0 1 294.355 2.304 20 5 CEBDMN CCO[C@H]1CCCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000076403495 343889609 /nfs/dbraw/zinc/88/96/09/343889609.db2.gz KSURZMWHENJDKC-ZDUSSCGKSA-N 0 1 294.351 2.475 20 5 CEBDMN Cc1ccc(CN(C)C(=O)c2n[nH]c(C)c2[N+](=O)[O-])s1 ZINC000076465955 343891250 /nfs/dbraw/zinc/89/12/50/343891250.db2.gz SXCBLKQKPPGFFD-UHFFFAOYSA-N 0 1 294.336 2.268 20 5 CEBDMN O=[N+]([O-])c1ccc(N2CCCC[C@@H]2c2nnc[nH]2)cc1 ZINC000295008141 539382533 /nfs/dbraw/zinc/38/25/33/539382533.db2.gz SFPHVVPHWXUCGB-GFCCVEGCSA-N 0 1 273.296 2.445 20 5 CEBDMN CCCO[C@H]1CCCN(Cc2cn(C)nc2[N+](=O)[O-])CC1 ZINC000602475670 347049735 /nfs/dbraw/zinc/04/97/35/347049735.db2.gz QINLMUVETXDYMJ-ZDUSSCGKSA-N 0 1 296.371 2.109 20 5 CEBDMN CC(C)[C@@H]1CCC[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000140484077 344398375 /nfs/dbraw/zinc/39/83/75/344398375.db2.gz QKONOSBDUSCMSB-ZDUSSCGKSA-N 0 1 291.351 2.314 20 5 CEBDMN COc1ccc(CN2CCCCC[C@H]2CO)cc1[N+](=O)[O-] ZINC000157012183 344444971 /nfs/dbraw/zinc/44/49/71/344444971.db2.gz NFWLFFYQWDWEBE-ZDUSSCGKSA-N 0 1 294.351 2.340 20 5 CEBDMN O=[N+]([O-])c1cc(C(F)F)ccc1NCCc1nc[nH]n1 ZINC000312244424 344737739 /nfs/dbraw/zinc/73/77/39/344737739.db2.gz LAESSICQKSLDKI-UHFFFAOYSA-N 0 1 283.238 2.305 20 5 CEBDMN CC(C)[N@H+]1CC[C@H](N(C)Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000449785625 282367209 /nfs/dbraw/zinc/36/72/09/282367209.db2.gz HUXNKWGASFEMFL-ZDUSSCGKSA-N 0 1 293.367 2.215 20 5 CEBDMN COC(=O)[C@@H]1CCC[C@@H]1NCc1ccc([N+](=O)[O-])cc1F ZINC000590657127 345155804 /nfs/dbraw/zinc/15/58/04/345155804.db2.gz DLUIUDZETCEMIU-YPMHNXCESA-N 0 1 296.298 2.165 20 5 CEBDMN C[C@@H]1[C@H](C)N(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H](C)CN1C ZINC000593188225 345450879 /nfs/dbraw/zinc/45/08/79/345450879.db2.gz ZALQNFVSFXXXKM-TUAOUCFPSA-N 0 1 291.351 2.148 20 5 CEBDMN O=C([O-])C[N@H+](Cc1c(F)cccc1[N+](=O)[O-])CC1CC1 ZINC000593290439 345463286 /nfs/dbraw/zinc/46/32/86/345463286.db2.gz DKMXMPURFXLXFQ-UHFFFAOYSA-N 0 1 282.271 2.031 20 5 CEBDMN O=[N+]([O-])c1ccc(NCc2n[nH]c([C@@H]3CCCO3)n2)cc1 ZINC000594588459 345652513 /nfs/dbraw/zinc/65/25/13/345652513.db2.gz AZFIDSJBBNMMLF-NSHDSACASA-N 0 1 289.295 2.177 20 5 CEBDMN CC(C)N(Cc1ccc(F)cc1[N+](=O)[O-])C[C@@H](C)O ZINC000595311915 345760025 /nfs/dbraw/zinc/76/00/25/345760025.db2.gz JLPAXOUYFPPBTP-SNVBAGLBSA-N 0 1 270.304 2.325 20 5 CEBDMN CCOc1ccc([N+](=O)[O-])cc1CN(C)Cc1cnc[nH]1 ZINC000595597504 345821867 /nfs/dbraw/zinc/82/18/67/345821867.db2.gz SGBDCGRRCXCSGF-UHFFFAOYSA-N 0 1 290.323 2.349 20 5 CEBDMN CC[C@H]1CN(C)CCN1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595504540 345797639 /nfs/dbraw/zinc/79/76/39/345797639.db2.gz FOSVYWIDCKNLED-ZDUSSCGKSA-N 0 1 281.331 2.260 20 5 CEBDMN O=[N+]([O-])c1ccc(CN2CC[C@H]3COC[C@@H]3C2)c(F)c1 ZINC000595827005 345887029 /nfs/dbraw/zinc/88/70/29/345887029.db2.gz BVUNYYABPOEMLP-RYUDHWBXSA-N 0 1 280.299 2.202 20 5 CEBDMN O=[N+]([O-])c1ccc(CN2CC[C@H]3COC[C@H]3C2)c(F)c1 ZINC000595827004 345887405 /nfs/dbraw/zinc/88/74/05/345887405.db2.gz BVUNYYABPOEMLP-NWDGAFQWSA-N 0 1 280.299 2.202 20 5 CEBDMN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CC[C@@]2(O)C[C@H]2C1 ZINC000595765428 345870641 /nfs/dbraw/zinc/87/06/41/345870641.db2.gz KYMZAKJZPJTFLG-VHRBIJSZSA-N 0 1 262.309 2.113 20 5 CEBDMN C[C@@H]1CCN(CCOc2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000595782433 345875059 /nfs/dbraw/zinc/87/50/59/345875059.db2.gz ZUGHONWCVWSZFP-OLZOCXBDSA-N 0 1 294.351 2.473 20 5 CEBDMN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@H]2C[C@H]2C1 ZINC000595812697 345882757 /nfs/dbraw/zinc/88/27/57/345882757.db2.gz YMMLMDJLKMJACT-WOPDTQHZSA-N 0 1 289.335 2.264 20 5 CEBDMN O=[N+]([O-])c1ccc2[nH]c(N3CCCc4[nH]ncc4C3)nc2c1 ZINC000596002106 345922073 /nfs/dbraw/zinc/92/20/73/345922073.db2.gz DTBWHYMRINONQI-UHFFFAOYSA-N 0 1 298.306 2.147 20 5 CEBDMN COc1cccc([N+](=O)[O-])c1N[C@H]1CC[N@H+](C2CC2)C1 ZINC000596090270 345937159 /nfs/dbraw/zinc/93/71/59/345937159.db2.gz ANBWUKOKIOCITJ-JTQLQIEISA-N 0 1 277.324 2.252 20 5 CEBDMN COc1cccc([N+](=O)[O-])c1N[C@H]1CCN(C2CC2)C1 ZINC000596090270 345937160 /nfs/dbraw/zinc/93/71/60/345937160.db2.gz ANBWUKOKIOCITJ-JTQLQIEISA-N 0 1 277.324 2.252 20 5 CEBDMN CCOc1cc(N(C)Cc2cnc[nH]2)ccc1[N+](=O)[O-] ZINC000596307367 345995515 /nfs/dbraw/zinc/99/55/15/345995515.db2.gz VILWNZMRZWGFPR-UHFFFAOYSA-N 0 1 276.296 2.353 20 5 CEBDMN CC(C)Oc1nc(N(C)Cc2cnc[nH]2)ccc1[N+](=O)[O-] ZINC000596311818 345996857 /nfs/dbraw/zinc/99/68/57/345996857.db2.gz GWIKTJRYMQKWBB-UHFFFAOYSA-N 0 1 291.311 2.137 20 5 CEBDMN O=[N+]([O-])c1ccc(OCCCSc2cn[nH]n2)cc1 ZINC000177375289 232353578 /nfs/dbraw/zinc/35/35/78/232353578.db2.gz PDMPOAGHYAOAJP-UHFFFAOYSA-N 0 1 280.309 2.274 20 5 CEBDMN Cc1ccc(CN2CCC3(COC3)C2)cc1[N+](=O)[O-] ZINC000597231476 346156038 /nfs/dbraw/zinc/15/60/38/346156038.db2.gz XVEBSIWOJYWNDW-UHFFFAOYSA-N 0 1 262.309 2.126 20 5 CEBDMN O=C(NCC1=CCCC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000598377583 346341566 /nfs/dbraw/zinc/34/15/66/346341566.db2.gz XLGBLDCVIGWYJW-UHFFFAOYSA-N 0 1 262.265 2.141 20 5 CEBDMN CCN1CCN(c2ccc3cnccc3c2[N+](=O)[O-])CC1 ZINC000599015429 346445857 /nfs/dbraw/zinc/44/58/57/346445857.db2.gz YMDTVLBOROSREZ-UHFFFAOYSA-N 0 1 286.335 2.285 20 5 CEBDMN COCCN1CCC[C@H]1CNc1ccsc1[N+](=O)[O-] ZINC000601111683 346756160 /nfs/dbraw/zinc/75/61/60/346756160.db2.gz XUHFGTYJZLYUEE-JTQLQIEISA-N 0 1 285.369 2.179 20 5 CEBDMN Cc1[nH]ncc1CN(C)c1c(Cl)cncc1[N+](=O)[O-] ZINC000601180952 346778854 /nfs/dbraw/zinc/77/88/54/346778854.db2.gz AJMKSUYLIUIVDD-UHFFFAOYSA-N 0 1 281.703 2.311 20 5 CEBDMN CN1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000601227591 346795569 /nfs/dbraw/zinc/79/55/69/346795569.db2.gz FXRACSNUVYEGKE-UHFFFAOYSA-N 0 1 292.339 2.153 20 5 CEBDMN CN(Cc1ccc(Cl)cc1[N+](=O)[O-])C[C@@H](O)C1CC1 ZINC000610571745 347692682 /nfs/dbraw/zinc/69/26/82/347692682.db2.gz GMCQQGMATCXNCC-CYBMUJFWSA-N 0 1 284.743 2.451 20 5 CEBDMN CCO[C@@H]1CCC[N@H+](Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000610930459 347723114 /nfs/dbraw/zinc/72/31/14/347723114.db2.gz KMSLKBJTLCDSEQ-CYBMUJFWSA-N 0 1 280.324 2.301 20 5 CEBDMN CCO[C@@H]1CCC[N@@H+](Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000610930459 347723117 /nfs/dbraw/zinc/72/31/17/347723117.db2.gz KMSLKBJTLCDSEQ-CYBMUJFWSA-N 0 1 280.324 2.301 20 5 CEBDMN O=[N+]([O-])c1cc(F)ccc1N1CCc2cn[nH]c2C1 ZINC000611006516 347732282 /nfs/dbraw/zinc/73/22/82/347732282.db2.gz IBMURWGZAWJJQW-UHFFFAOYSA-N 0 1 262.244 2.020 20 5 CEBDMN CCN1CCN(Cc2cc([N+](=O)[O-])ccc2OC)C[C@H]1C ZINC000611091785 347739022 /nfs/dbraw/zinc/73/90/22/347739022.db2.gz NVOZMGJCQFFELQ-GFCCVEGCSA-N 0 1 293.367 2.129 20 5 CEBDMN Cc1cc(CNC/C=C\c2ccccc2[N+](=O)[O-])ncn1 ZINC000611134727 347742926 /nfs/dbraw/zinc/74/29/26/347742926.db2.gz GAPKMMYMCUDVNI-XQRVVYSFSA-N 0 1 284.319 2.496 20 5 CEBDMN COc1ccc(CN(C)CC2=CCCOC2)cc1[N+](=O)[O-] ZINC000611268088 347761341 /nfs/dbraw/zinc/76/13/41/347761341.db2.gz HYMFXXUYRIIJHO-UHFFFAOYSA-N 0 1 292.335 2.382 20 5 CEBDMN C[C@@H]1OCC[C@@]1(C)NCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000617252621 348658330 /nfs/dbraw/zinc/65/83/30/348658330.db2.gz WPJOWUZQGSGUCV-LKFCYVNXSA-N 0 1 291.307 2.393 20 5 CEBDMN O=C([C@H]1CC1[N+](=O)[O-])N1CCC2(CCCCC2)CC1 ZINC000359934144 233170265 /nfs/dbraw/zinc/17/02/65/233170265.db2.gz HTHFOCZBXJDWDE-RYUDHWBXSA-N 0 1 266.341 2.225 20 5 CEBDMN CC[C@@H](N[C@@H]1CCN(CC)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000619823378 349238046 /nfs/dbraw/zinc/23/80/46/349238046.db2.gz YQDTZMMZWUQRBP-ZIAGYGMSSA-N 0 1 291.351 2.256 20 5 CEBDMN COc1cc([N+](=O)[O-])ccc1CN1CCC[C@H](CO)[C@H]1C ZINC000412095724 233337962 /nfs/dbraw/zinc/33/79/62/233337962.db2.gz TYHRPOSGXRYLRP-DGCLKSJQSA-N 0 1 294.351 2.196 20 5 CEBDMN CCN[C@@H](C)c1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000109504863 186257770 /nfs/dbraw/zinc/25/77/70/186257770.db2.gz DWNRCLYLEQWMFU-QMMMGPOBSA-N 0 1 262.269 2.315 20 5 CEBDMN O=[N+]([O-])c1ccc(N[C@@H]2CCN(Cc3ccncc3)C2)nc1 ZINC000122266282 187023614 /nfs/dbraw/zinc/02/36/14/187023614.db2.gz SFMMXHZYSLIHQU-CYBMUJFWSA-N 0 1 299.334 2.071 20 5 CEBDMN CCN(CC(=O)Nc1ccc([N+](=O)[O-])cc1C)C1CC1 ZINC000072560318 363145896 /nfs/dbraw/zinc/14/58/96/363145896.db2.gz VVPXZQGQTTTYEN-UHFFFAOYSA-N 0 1 277.324 2.326 20 5 CEBDMN CC(C)N1C[C@H](N[C@@H](C)c2ccc([N+](=O)[O-])cc2)CC1=O ZINC000271535152 191198926 /nfs/dbraw/zinc/19/89/26/191198926.db2.gz SPVGHQNZABCYJA-WCQYABFASA-N 0 1 291.351 2.255 20 5 CEBDMN CCOCCN(C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000157924485 188347351 /nfs/dbraw/zinc/34/73/51/188347351.db2.gz ZELHEOQRZMWEEG-UHFFFAOYSA-N 0 1 256.277 2.202 20 5 CEBDMN C[C@H](CO)N(C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000132155635 366122582 /nfs/dbraw/zinc/12/25/82/366122582.db2.gz CIYUKIDAIKMOSQ-MRVPVSSYSA-N 0 1 258.705 2.061 20 5 CEBDMN CCN(CC(=O)N[C@H](C)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000271731898 191294134 /nfs/dbraw/zinc/29/41/34/191294134.db2.gz SPZLBZLHEXTAFC-LLVKDONJSA-N 0 1 291.351 2.256 20 5 CEBDMN CO[C@H]1CCCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000076348017 363541451 /nfs/dbraw/zinc/54/14/51/363541451.db2.gz KDEAOMPHOHQBJQ-LBPRGKRZSA-N 0 1 250.298 2.206 20 5 CEBDMN CCn1cc(CN[C@H](C)c2ccc(N)c([N+](=O)[O-])c2)cn1 ZINC000294687074 199134506 /nfs/dbraw/zinc/13/45/06/199134506.db2.gz IKOIFPCSMZOTMO-SNVBAGLBSA-N 0 1 289.339 2.244 20 5 CEBDMN Cc1n[nH]cc1CN[C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294922752 199251543 /nfs/dbraw/zinc/25/15/43/199251543.db2.gz XDGQIALJKSIJEZ-MRVPVSSYSA-N 0 1 275.312 2.059 20 5 CEBDMN O=c1ccc([N+](=O)[O-])cn1CCN1CC[C@@H]1c1ccccc1 ZINC000341574983 216019514 /nfs/dbraw/zinc/01/95/14/216019514.db2.gz LTYYXESRZKLJOW-OAHLLOKOSA-N 0 1 299.330 2.204 20 5 CEBDMN O=[N+]([O-])c1ccn(CCN2CCC(C(F)(F)F)CC2)n1 ZINC000176271092 188987531 /nfs/dbraw/zinc/98/75/31/188987531.db2.gz XKAYCJZZSJCCIS-UHFFFAOYSA-N 0 1 292.261 2.066 20 5 CEBDMN CCC(CC)(CC)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000137240018 366538138 /nfs/dbraw/zinc/53/81/38/366538138.db2.gz WRTVMKPYZKVADK-UHFFFAOYSA-N 0 1 254.290 2.017 20 5 CEBDMN Cc1nn(C)cc1CN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000148890722 366584642 /nfs/dbraw/zinc/58/46/42/366584642.db2.gz BUYATESCFUSSMT-JTQLQIEISA-N 0 1 274.324 2.488 20 5 CEBDMN O=[N+]([O-])c1ccc(O)cc1CN1CCC[C@@H]1c1ncc[nH]1 ZINC000339064308 366636165 /nfs/dbraw/zinc/63/61/65/366636165.db2.gz DZIGOOGEVSITND-CYBMUJFWSA-N 0 1 288.307 2.361 20 5 CEBDMN O=[N+]([O-])c1ccccc1CCN[C@H]1CCn2ccnc21 ZINC000297968127 200310546 /nfs/dbraw/zinc/31/05/46/200310546.db2.gz ZRSLXMNVLLXNBS-LBPRGKRZSA-N 0 1 272.308 2.068 20 5 CEBDMN Cc1cc(C[C@@H](C)NC(=O)c2csc([N+](=O)[O-])c2)n[nH]1 ZINC000178184491 189096223 /nfs/dbraw/zinc/09/62/23/189096223.db2.gz MJZSRMCHOZFVCQ-SSDOTTSWSA-N 0 1 294.336 2.049 20 5 CEBDMN COc1cc(CN[C@@H]2C[C@@H]2C(F)F)c([N+](=O)[O-])cc1O ZINC000342218539 216265191 /nfs/dbraw/zinc/26/51/91/216265191.db2.gz IPZCOZXMQIKJQL-JGVFFNPUSA-N 0 1 288.250 2.052 20 5 CEBDMN O=C([O-])[C@H]1CCCC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000003756182 361289875 /nfs/dbraw/zinc/28/98/75/361289875.db2.gz YAHSRDAQQHEUPZ-GFCCVEGCSA-N 0 1 264.281 2.034 20 5 CEBDMN O=[N+]([O-])c1cc2ccccc2nc1NCCN1CC=CCC1 ZINC000339973379 366733976 /nfs/dbraw/zinc/73/39/76/366733976.db2.gz ANWJEXDAGGZEPE-UHFFFAOYSA-N 0 1 298.346 2.239 20 5 CEBDMN C[C@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)c1ccccn1 ZINC000356372940 370683745 /nfs/dbraw/zinc/68/37/45/370683745.db2.gz ZBXAPKJBOMDRQS-VIFPVBQESA-N 0 1 287.275 2.186 20 5 CEBDMN CN(Cc1cscn1)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356410595 370700364 /nfs/dbraw/zinc/70/03/64/370700364.db2.gz AFRMOZZYKSXNCE-UHFFFAOYSA-N 0 1 293.304 2.029 20 5 CEBDMN O=[N+]([O-])c1ccc2c(c1)CN(CC[C@@H]1CCOC1)CCO2 ZINC000356535290 370745115 /nfs/dbraw/zinc/74/51/15/370745115.db2.gz XYJXNUPPMHCNPB-GFCCVEGCSA-N 0 1 292.335 2.216 20 5 CEBDMN C[C@@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)c1cccnc1 ZINC000356552789 370752607 /nfs/dbraw/zinc/75/26/07/370752607.db2.gz SQUSIXPAMMUMQD-SECBINFHSA-N 0 1 287.275 2.186 20 5 CEBDMN C[C@@H](CC1CC1)NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000112691642 364828531 /nfs/dbraw/zinc/82/85/31/364828531.db2.gz MRGAKSVFNLBBRK-QMMMGPOBSA-N 0 1 288.307 2.390 20 5 CEBDMN O=C(N[C@H]1CC=CCC1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000172396657 367734487 /nfs/dbraw/zinc/73/44/87/367734487.db2.gz SHSCNQIZPHKQQV-VIFPVBQESA-N 0 1 286.291 2.310 20 5 CEBDMN CC(C)(C)OC(=O)CCNCc1csc([N+](=O)[O-])c1 ZINC000174431969 368022481 /nfs/dbraw/zinc/02/24/81/368022481.db2.gz DQMCAVYAVYKKRQ-UHFFFAOYSA-N 0 1 286.353 2.478 20 5 CEBDMN CCN1C[C@@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000344438538 368123659 /nfs/dbraw/zinc/12/36/59/368123659.db2.gz XCOCEHWUOXKOAD-TXEJJXNPSA-N 0 1 291.351 2.150 20 5 CEBDMN O=[N+]([O-])c1cnn(CCN2CCC(C(F)(F)F)CC2)c1 ZINC000174879449 368075863 /nfs/dbraw/zinc/07/58/63/368075863.db2.gz IFWVNOWWNVJMPB-UHFFFAOYSA-N 0 1 292.261 2.066 20 5 CEBDMN CC(C)[C@H](C)NC(=O)CN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180427004 368381935 /nfs/dbraw/zinc/38/19/35/368381935.db2.gz PQJSUMGAAUVKSA-RYUDHWBXSA-N 0 1 293.367 2.406 20 5 CEBDMN COC(=O)N1CC(N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000181463160 368458690 /nfs/dbraw/zinc/45/86/90/368458690.db2.gz VWKFFFZWJWWETH-JTQLQIEISA-N 0 1 293.323 2.004 20 5 CEBDMN O=C([O-])[C@@]12CCC[C@H]1C[N@@H+](Cc1csc([N+](=O)[O-])c1)C2 ZINC000346649463 368752060 /nfs/dbraw/zinc/75/20/60/368752060.db2.gz HTJFFZFGXXOBIX-GXFFZTMASA-N 0 1 296.348 2.343 20 5 CEBDMN O=[N+]([O-])c1cnn(CCNCc2ccc(Cl)cc2F)c1 ZINC000189387629 369508384 /nfs/dbraw/zinc/50/83/84/369508384.db2.gz JGDXXRJKXMKRTM-UHFFFAOYSA-N 0 1 298.705 2.374 20 5 CEBDMN CN(Cc1ccc([N+](=O)[O-])cc1F)[C@@H]1CCC[C@@H]1O ZINC000352668215 369826829 /nfs/dbraw/zinc/82/68/29/369826829.db2.gz QKSLOLZHGWLCRT-OLZOCXBDSA-N 0 1 268.288 2.079 20 5 CEBDMN CCCNC(=O)CN[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192608626 369833709 /nfs/dbraw/zinc/83/37/09/369833709.db2.gz TYSMHXRPHHWRBW-CQSZACIVSA-N 0 1 291.351 2.088 20 5 CEBDMN COC(=O)[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000249115905 371296730 /nfs/dbraw/zinc/29/67/30/371296730.db2.gz RWODQTORMUVACP-SMDDNHRTSA-N 0 1 292.335 2.226 20 5 CEBDMN CO[C@@H]1CCN([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000361372321 371813930 /nfs/dbraw/zinc/81/39/30/371813930.db2.gz MPURUYYQGGUSKD-GHMZBOCLSA-N 0 1 250.298 2.377 20 5 CEBDMN CN(Cc1c([N+](=O)[O-])ncn1C)[C@@H]1CCC(C)(C)C1 ZINC000361471279 371864616 /nfs/dbraw/zinc/86/46/16/371864616.db2.gz YTJJPNLUJUOTGW-SNVBAGLBSA-N 0 1 266.345 2.339 20 5 CEBDMN O=C(NCc1ccccc1-c1ccncc1)[C@@H]1CC1[N+](=O)[O-] ZINC000363066844 372623232 /nfs/dbraw/zinc/62/32/32/372623232.db2.gz VTSZDUBPSONXSZ-CABCVRRESA-N 0 1 297.314 2.030 20 5 CEBDMN CN(CC(C)(C)C)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272523209 373532664 /nfs/dbraw/zinc/53/26/64/373532664.db2.gz LLORFMBDGOLYFO-UHFFFAOYSA-N 0 1 266.297 2.419 20 5 CEBDMN Cn1cnc([N+](=O)[O-])c1CN1CC[C@@H](c2ccccc2)C1 ZINC000370044793 373564277 /nfs/dbraw/zinc/56/42/77/373564277.db2.gz HUCJUWIBDKMSGI-CYBMUJFWSA-N 0 1 286.335 2.318 20 5 CEBDMN C[C@H]1CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)[C@H]1C ZINC000272680145 373612477 /nfs/dbraw/zinc/61/24/77/373612477.db2.gz NFLBJIBSCYKZRX-IUCAKERBSA-N 0 1 264.281 2.171 20 5 CEBDMN Cc1ccccc1[C@H]1C[C@H](NC(=O)[C@H]2CC2[N+](=O)[O-])C1 ZINC000370535019 373678274 /nfs/dbraw/zinc/67/82/74/373678274.db2.gz IDCGMWKNVWSEJP-IMIFBBOLSA-N 0 1 274.320 2.022 20 5 CEBDMN C[C@@H]1C[C@H](c2ccccc2)N(C(=O)[C@H]2CC2[N+](=O)[O-])C1 ZINC000376196390 374699262 /nfs/dbraw/zinc/69/92/62/374699262.db2.gz GHINUEMMDUFZCZ-YXCITZCRSA-N 0 1 274.320 2.261 20 5 CEBDMN O=C(N[C@@H]1CCC[C@@H]1c1ccccc1)[C@@H]1CC1[N+](=O)[O-] ZINC000377603739 374894922 /nfs/dbraw/zinc/89/49/22/374894922.db2.gz CNKDVVYZIOUOPK-AAVRWANBSA-N 0 1 274.320 2.104 20 5 CEBDMN O=C(Nc1ccccc1-c1nnc[nH]1)c1ccc([N+](=O)[O-])o1 ZINC000378419928 375097415 /nfs/dbraw/zinc/09/74/15/375097415.db2.gz UELQFCIINDRVJU-UHFFFAOYSA-N 0 1 299.246 2.225 20 5 CEBDMN CCN1C[C@H](C)N(C(=O)c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000345967340 217764781 /nfs/dbraw/zinc/76/47/81/217764781.db2.gz SBGXYGIHAAOUQJ-NEPJUHHUSA-N 0 1 291.351 2.150 20 5 CEBDMN O=[N+]([O-])c1cccnc1Nc1cc2n(n1)CCCC2 ZINC000286582446 376003375 /nfs/dbraw/zinc/00/33/75/376003375.db2.gz REVRYQZIQUPDHP-UHFFFAOYSA-N 0 1 259.269 2.266 20 5 CEBDMN Cn1nc(Nc2ncccc2[N+](=O)[O-])cc1C1CC1 ZINC000291217675 377124878 /nfs/dbraw/zinc/12/48/78/377124878.db2.gz VTAZBHGZPNIVSH-UHFFFAOYSA-N 0 1 259.269 2.344 20 5 CEBDMN C[C@@H](O)[C@H]1C[C@H](C)CC[N@H+]1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000330444423 377135115 /nfs/dbraw/zinc/13/51/15/377135115.db2.gz CFWASKKAZJSOFM-UEKVPHQBSA-N 0 1 294.351 2.282 20 5 CEBDMN C[N@H+](Cc1cc([O-])ccc1[N+](=O)[O-])C[C@@H]1CCCOC1 ZINC000330446596 377137471 /nfs/dbraw/zinc/13/74/71/377137471.db2.gz XYEBRGZQPZBPOV-NSHDSACASA-N 0 1 280.324 2.159 20 5 CEBDMN CC[N@H+]1C[C@@H](C)N(Cc2cc([O-])ccc2[N+](=O)[O-])C[C@@H]1C ZINC000330452325 377138966 /nfs/dbraw/zinc/13/89/66/377138966.db2.gz KSYZWENKGJKWGL-NWDGAFQWSA-N 0 1 293.367 2.215 20 5 CEBDMN CC[N@H+]1C[C@H](C)N(Cc2cc([O-])ccc2[N+](=O)[O-])C[C@@H]1C ZINC000330452326 377139288 /nfs/dbraw/zinc/13/92/88/377139288.db2.gz KSYZWENKGJKWGL-RYUDHWBXSA-N 0 1 293.367 2.215 20 5 CEBDMN C[N@H+](Cc1cc([O-])ccc1[N+](=O)[O-])C[C@H]1CCCC[C@@H]1O ZINC000330461091 377144190 /nfs/dbraw/zinc/14/41/90/377144190.db2.gz WOALZPZVTNPINM-ABAIWWIYSA-N 0 1 294.351 2.283 20 5 CEBDMN C[C@@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C[C@H]1C(=O)[O-] ZINC000565303029 377634238 /nfs/dbraw/zinc/63/42/38/377634238.db2.gz KRCPUSVWKBKIBT-ZWNOBZJWSA-N 0 1 278.308 2.137 20 5 CEBDMN CC(C)C1(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000293917692 377825136 /nfs/dbraw/zinc/82/51/36/377825136.db2.gz LOYOCCGNGBGLPW-UHFFFAOYSA-N 0 1 288.307 2.390 20 5 CEBDMN CN(Cc1ccccn1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000295213188 378053470 /nfs/dbraw/zinc/05/34/70/378053470.db2.gz UWARHTWXQUYYLF-OAHLLOKOSA-N 0 1 287.319 2.155 20 5 CEBDMN COc1ccc([N+](=O)[O-])cc1CN(C)[C@H](C)C(C)(C)O ZINC000295226496 378059245 /nfs/dbraw/zinc/05/92/45/378059245.db2.gz WHZPVXJESAPXCS-SNVBAGLBSA-N 0 1 282.340 2.195 20 5 CEBDMN CC[C@@H](C)[C@@H](CNC(=O)c1cc(O)cc([N+](=O)[O-])c1)OC ZINC000295322583 378105536 /nfs/dbraw/zinc/10/55/36/378105536.db2.gz BDOVQRPHRRXATN-NOZJJQNGSA-N 0 1 296.323 2.091 20 5 CEBDMN CC(F)(F)CCCNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000295561968 378213002 /nfs/dbraw/zinc/21/30/02/378213002.db2.gz LJQUIDVUPMNXRV-UHFFFAOYSA-N 0 1 288.250 2.466 20 5 CEBDMN C[C@@]1(F)CCCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000295471807 378173410 /nfs/dbraw/zinc/17/34/10/378173410.db2.gz HWRUGDNPAMTCRU-CYBMUJFWSA-N 0 1 282.271 2.265 20 5 CEBDMN Cc1cccc(CNCCn2cc([N+](=O)[O-])cn2)c1F ZINC000295763524 378294549 /nfs/dbraw/zinc/29/45/49/378294549.db2.gz QJNVCXORTOAERF-UHFFFAOYSA-N 0 1 278.287 2.029 20 5 CEBDMN O=[N+]([O-])c1ccc(Cl)cc1NCCN1CCC(O)CC1 ZINC000296142374 378430957 /nfs/dbraw/zinc/43/09/57/378430957.db2.gz XIDYOBOEWLTWKN-UHFFFAOYSA-N 0 1 299.758 2.117 20 5 CEBDMN CC[C@@H](N[C@H](C)c1cccc([N+](=O)[O-])c1C)C(=O)NC ZINC000453400145 378886177 /nfs/dbraw/zinc/88/61/77/378886177.db2.gz KTTMXZVSFLCRSA-ZYHUDNBSSA-N 0 1 279.340 2.078 20 5 CEBDMN CC[C@@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1C)C(=O)NC ZINC000453400142 378886222 /nfs/dbraw/zinc/88/62/22/378886222.db2.gz KTTMXZVSFLCRSA-CMPLNLGQSA-N 0 1 279.340 2.078 20 5 CEBDMN C[C@]1(F)CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000347361747 218206851 /nfs/dbraw/zinc/20/68/51/218206851.db2.gz VRTNEHXAMBELIU-AWEZNQCLSA-N 0 1 295.314 2.357 20 5 CEBDMN O=[N+]([O-])c1cc(F)c(CSc2cn[nH]n2)c(F)c1 ZINC000505559365 379082355 /nfs/dbraw/zinc/08/23/55/379082355.db2.gz JWGHHSRVOZROEI-UHFFFAOYSA-N 0 1 272.236 2.283 20 5 CEBDMN O=[N+]([O-])c1ccccc1/C=C\C[N@H+](CCO)C1CC1 ZINC000507139158 379097436 /nfs/dbraw/zinc/09/74/36/379097436.db2.gz AIOJLZUCXGZFHG-HYXAFXHYSA-N 0 1 262.309 2.065 20 5 CEBDMN COc1ccc(CN2CCCC[C@@H]2[C@@H](C)O)cc1[N+](=O)[O-] ZINC000303976670 379500791 /nfs/dbraw/zinc/50/07/91/379500791.db2.gz CIPKAQMDJMJNDF-DGCLKSJQSA-N 0 1 294.351 2.339 20 5 CEBDMN CN(c1ncc([N+](=O)[O-])cc1Cl)[C@H]1CCCN(C)C1 ZINC000267132843 190305403 /nfs/dbraw/zinc/30/54/03/190305403.db2.gz WAEPNUSBAHWKPB-VIFPVBQESA-N 0 1 284.747 2.174 20 5 CEBDMN CO[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000267610387 190341554 /nfs/dbraw/zinc/34/15/54/190341554.db2.gz BCXOJBURESIMLJ-LBPRGKRZSA-N 0 1 250.298 2.124 20 5 CEBDMN C[C@@H](CN1CCCCC1)Nc1ncc([N+](=O)[O-])s1 ZINC000189684537 130008251 /nfs/dbraw/zinc/00/82/51/130008251.db2.gz PXRKUJBTBFJHCA-VIFPVBQESA-N 0 1 270.358 2.338 20 5 CEBDMN C[C@@H]1CC(O)C[C@@H](C)N1Cc1cccc([N+](=O)[O-])c1 ZINC000191266920 130211376 /nfs/dbraw/zinc/21/13/76/130211376.db2.gz DXCUYGHABZAGOA-GHMZBOCLSA-N 0 1 264.325 2.329 20 5 CEBDMN CCN(CC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000052560851 394558143 /nfs/dbraw/zinc/55/81/43/394558143.db2.gz XXXCJHTXRVDSSW-LLVKDONJSA-N 0 1 291.351 2.256 20 5 CEBDMN CC1(C)C(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)C1(C)C ZINC000356621632 394581187 /nfs/dbraw/zinc/58/11/87/394581187.db2.gz PRYZBFKNAQNARS-UHFFFAOYSA-N 0 1 278.308 2.465 20 5 CEBDMN CCc1nnc(SCCOc2ccccc2[N+](=O)[O-])[nH]1 ZINC000048598796 394517678 /nfs/dbraw/zinc/51/76/78/394517678.db2.gz NOIIWNLDMCLGDZ-UHFFFAOYSA-N 0 1 294.336 2.446 20 5 CEBDMN CCc1n[nH]c(SCCOc2ccccc2[N+](=O)[O-])n1 ZINC000048598796 394517682 /nfs/dbraw/zinc/51/76/82/394517682.db2.gz NOIIWNLDMCLGDZ-UHFFFAOYSA-N 0 1 294.336 2.446 20 5 CEBDMN Cc1ncsc1NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356806685 394619517 /nfs/dbraw/zinc/61/95/17/394619517.db2.gz UJFHLFVQKWJJGC-UHFFFAOYSA-N 0 1 279.277 2.318 20 5 CEBDMN CC(C)c1ccc(C(=O)N2CCN[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000422832817 394818143 /nfs/dbraw/zinc/81/81/43/394818143.db2.gz GDSGPJCOJHPMRW-NSHDSACASA-N 0 1 291.351 2.152 20 5 CEBDMN Cc1cccc([N+](=O)[O-])c1N1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000338786864 394928929 /nfs/dbraw/zinc/92/89/29/394928929.db2.gz QFIISZWMFJNVCN-TXEJJXNPSA-N 0 1 263.341 2.432 20 5 CEBDMN CC(C)[C@H](O)CN(C)Cc1ccccc1[N+](=O)[O-] ZINC000284333899 394942975 /nfs/dbraw/zinc/94/29/75/394942975.db2.gz QOGGOWJKBCKYAW-CYBMUJFWSA-N 0 1 252.314 2.044 20 5 CEBDMN O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)c1ccc(O)cc1 ZINC000436662890 395141914 /nfs/dbraw/zinc/14/19/14/395141914.db2.gz DTGHBBJSVBJUEC-UHFFFAOYSA-N 0 1 286.243 2.122 20 5 CEBDMN CCOC[C@H]1CCN(Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000430247115 395164122 /nfs/dbraw/zinc/16/41/22/395164122.db2.gz YBBBLRGVAVMBIR-LBPRGKRZSA-N 0 1 294.351 2.462 20 5 CEBDMN Cc1cc([N+](=O)[O-])ccc1CN1CCN(C)C[C@@H]1C ZINC000350023579 395179523 /nfs/dbraw/zinc/17/95/23/395179523.db2.gz ZQKLTKIFOAKLPV-LBPRGKRZSA-N 0 1 263.341 2.039 20 5 CEBDMN C[C@@H]1CN(C)[C@@H](C)CN1c1ccc(F)cc1[N+](=O)[O-] ZINC000351509827 395226740 /nfs/dbraw/zinc/22/67/40/395226740.db2.gz MWRWZFZUTQGQGM-VHSXEESVSA-N 0 1 267.304 2.263 20 5 CEBDMN CCN1C[C@@H](N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1=O ZINC000391613604 395201374 /nfs/dbraw/zinc/20/13/74/395201374.db2.gz PEMYHMDZZFDDPY-YPMHNXCESA-N 0 1 291.351 2.175 20 5 CEBDMN CN(CCCCCO)Cc1csc([N+](=O)[O-])c1 ZINC000434660602 395318299 /nfs/dbraw/zinc/31/82/99/395318299.db2.gz AJFPLQHZWZOECF-UHFFFAOYSA-N 0 1 258.343 2.251 20 5 CEBDMN CC(C)(O)C[N@@H+](CCOc1ccccc1[N+](=O)[O-])C1CC1 ZINC000189896394 395333259 /nfs/dbraw/zinc/33/32/59/395333259.db2.gz ZVBXCZVRFBAQQK-UHFFFAOYSA-N 0 1 294.351 2.209 20 5 CEBDMN COc1cc(CN2CC[C@@H](O)C(C)(C)C2)ccc1[N+](=O)[O-] ZINC000446065987 395480196 /nfs/dbraw/zinc/48/01/96/395480196.db2.gz GDDKNETUJMGCLE-CQSZACIVSA-N 0 1 294.351 2.196 20 5 CEBDMN C[C@@H](N(C)Cc1csc([N+](=O)[O-])c1)C(C)(C)O ZINC000451356266 395609742 /nfs/dbraw/zinc/60/97/42/395609742.db2.gz AOCABHXTKNBTPB-MRVPVSSYSA-N 0 1 258.343 2.248 20 5 CEBDMN Cc1cc2[nH]ncc2cc1NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000573626762 395612539 /nfs/dbraw/zinc/61/25/39/395612539.db2.gz OJTQPDXBXUOZRI-UHFFFAOYSA-N 0 1 297.274 2.427 20 5 CEBDMN Cc1nc([C@@H]2CCCN(c3sccc3[N+](=O)[O-])C2)n[nH]1 ZINC000611413843 400666538 /nfs/dbraw/zinc/66/65/38/400666538.db2.gz ZTBXRMFUYAEESB-SECBINFHSA-N 0 1 293.352 2.467 20 5 CEBDMN Cc1nnc([C@@H]2CCCN(c3sccc3[N+](=O)[O-])C2)[nH]1 ZINC000611413843 400666542 /nfs/dbraw/zinc/66/65/42/400666542.db2.gz ZTBXRMFUYAEESB-SECBINFHSA-N 0 1 293.352 2.467 20 5 CEBDMN O=[N+]([O-])c1cccc(CN2CCC(n3cncn3)CC2)c1 ZINC000360042164 155198756 /nfs/dbraw/zinc/19/87/56/155198756.db2.gz UECNBMZAQROHTB-UHFFFAOYSA-N 0 1 287.323 2.023 20 5 CEBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CC[C@H]2CCC[C@H]21 ZINC000408374652 165725343 /nfs/dbraw/zinc/72/53/43/165725343.db2.gz IODJSDQSGIMHJL-NOZJJQNGSA-N 0 1 276.292 2.315 20 5 CEBDMN CC(C)N1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000020544135 171243110 /nfs/dbraw/zinc/24/31/10/171243110.db2.gz DIOOZHZVRPBQFV-UHFFFAOYSA-N 0 1 292.339 2.153 20 5 CEBDMN C[C@H]1[C@H](C)N(C(=O)Nc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000356087892 228116345 /nfs/dbraw/zinc/11/63/45/228116345.db2.gz TXEGIOHLHCTODI-QWRGUYRKSA-N 0 1 292.339 2.151 20 5 CEBDMN CCC[C@@H](C(=O)[O-])[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000517750863 260115656 /nfs/dbraw/zinc/11/56/56/260115656.db2.gz TVZPIBICRLIZFQ-LBPRGKRZSA-N 0 1 266.297 2.280 20 5 CEBDMN CCC[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])CC(=O)[O-] ZINC000514660611 266031817 /nfs/dbraw/zinc/03/18/17/266031817.db2.gz BKOZRMGRBRIQSL-ALCCZGGFSA-N 0 1 278.308 2.405 20 5 CEBDMN CCCNC(=O)[C@@H](C)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000035019433 270224896 /nfs/dbraw/zinc/22/48/96/270224896.db2.gz MXUQGSNWBOSCPI-WDEREUQCSA-N 0 1 279.340 2.160 20 5 CEBDMN COc1cc([N+](=O)[O-])ccc1CN(CC(C)(C)O)C1CC1 ZINC000430212264 271363302 /nfs/dbraw/zinc/36/33/02/271363302.db2.gz LPVWZGKYRSOYME-UHFFFAOYSA-N 0 1 294.351 2.339 20 5 CEBDMN Cc1cc(N2CC[C@@H](CO)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000228485410 274709139 /nfs/dbraw/zinc/70/91/39/274709139.db2.gz VCFZNTXLHCICKU-LLVKDONJSA-N 0 1 287.319 2.270 20 5 CEBDMN CC(C)c1[nH]nc(C(=O)N2CCC[C@@H]2CF)c1[N+](=O)[O-] ZINC000294184977 278000167 /nfs/dbraw/zinc/00/01/67/278000167.db2.gz UCKYRIDCYYVGGV-MRVPVSSYSA-N 0 1 284.291 2.015 20 5 CEBDMN C[C@@H]1c2ccccc2CCN1CCn1ccc([N+](=O)[O-])n1 ZINC000176235633 279134292 /nfs/dbraw/zinc/13/42/92/279134292.db2.gz COJSRFDMAIAMML-GFCCVEGCSA-N 0 1 286.335 2.411 20 5 CEBDMN C[C@@H]1C[C@H](Nc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC[N@H+]1C ZINC000211473015 280206918 /nfs/dbraw/zinc/20/69/18/280206918.db2.gz PACMWJBZUYSBLS-MWLCHTKSSA-N 0 1 293.323 2.188 20 5 CEBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@H](C)C(=O)N(C)C ZINC000539124802 298245064 /nfs/dbraw/zinc/24/50/64/298245064.db2.gz UCWPUTKPCZTWMG-GHMZBOCLSA-N 0 1 279.340 2.031 20 5 CEBDMN Cn1cc(CN[C@H]2CCc3c2cccc3[N+](=O)[O-])cn1 ZINC000574170506 314193741 /nfs/dbraw/zinc/19/37/41/314193741.db2.gz GJLREIPEPRHXOA-ZDUSSCGKSA-N 0 1 272.308 2.105 20 5 CEBDMN Cc1ccccc1C1=CCN(C(=O)[C@H]2CC2[N+](=O)[O-])CC1 ZINC000374634008 525084749 /nfs/dbraw/zinc/08/47/49/525084749.db2.gz XWXKQXVWJVUZDP-LSDHHAIUSA-N 0 1 286.331 2.276 20 5 CEBDMN Cc1c(C[N@H+]2C[C@@H](C)C[C@H](C(=O)[O-])C2)cccc1[N+](=O)[O-] ZINC000263110672 525709621 /nfs/dbraw/zinc/70/96/21/525709621.db2.gz BSHMCHXHQXQQHP-GWCFXTLKSA-N 0 1 292.335 2.446 20 5 CEBDMN Cc1cnc(C(C)(C)NCCn2ccc([N+](=O)[O-])n2)s1 ZINC000183929139 525981899 /nfs/dbraw/zinc/98/18/99/525981899.db2.gz HXYPWGOYHOTMPV-UHFFFAOYSA-N 0 1 295.368 2.081 20 5 CEBDMN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccncc1 ZINC000068038797 526088280 /nfs/dbraw/zinc/08/82/80/526088280.db2.gz KEYCWEPVBVOULY-UHFFFAOYSA-N 0 1 293.304 2.099 20 5 CEBDMN O=C([C@H]1CC1[N+](=O)[O-])N1CC=C(c2cccs2)CC1 ZINC000363410797 526562460 /nfs/dbraw/zinc/56/24/60/526562460.db2.gz HFSKTAWNGQXKCT-QWRGUYRKSA-N 0 1 278.333 2.029 20 5 CEBDMN O=C([C@H]1CC1[N+](=O)[O-])N1CC=C(c2ccccc2F)CC1 ZINC000364966158 526565447 /nfs/dbraw/zinc/56/54/47/526565447.db2.gz FZRUPNJWVQWDDO-GXTWGEPZSA-N 0 1 290.294 2.107 20 5 CEBDMN O=C(NCc1cccc(-c2cccnc2)c1)[C@@H]1CC1[N+](=O)[O-] ZINC000364097954 526708277 /nfs/dbraw/zinc/70/82/77/526708277.db2.gz OUSPTGSQOZIQAE-CABCVRRESA-N 0 1 297.314 2.030 20 5 CEBDMN O=[N+]([O-])c1ccn(C2CCN(Cc3ccco3)CC2)n1 ZINC000365117617 527406639 /nfs/dbraw/zinc/40/66/39/527406639.db2.gz QQRQQGAKZKKXOA-UHFFFAOYSA-N 0 1 276.296 2.221 20 5 CEBDMN CC(C)CN1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000248220425 535101500 /nfs/dbraw/zinc/10/15/00/535101500.db2.gz HOSFOMBMWFLCEJ-UHFFFAOYSA-N 0 1 291.351 2.009 20 5 CEBDMN O=C(OCCc1ccsc1)c1ccc([N+](=O)[O-])[nH]1 ZINC000726336829 574425647 /nfs/dbraw/zinc/42/56/47/574425647.db2.gz PIYHZHIJLRMBLH-UHFFFAOYSA-N 0 1 266.278 2.384 20 5 CEBDMN CCN1CCN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@H]1C ZINC000754080397 574522767 /nfs/dbraw/zinc/52/27/67/574522767.db2.gz USUWGSCJEUWTLZ-SNVBAGLBSA-N 0 1 294.311 2.033 20 5 CEBDMN CCc1cc(CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)n[nH]1 ZINC000732800554 574631427 /nfs/dbraw/zinc/63/14/27/574631427.db2.gz SMMASAJHKZLFMY-UHFFFAOYSA-N 0 1 288.307 2.119 20 5 CEBDMN C[C@@H](C(=O)[O-])[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000054067779 597720342 /nfs/dbraw/zinc/72/03/42/597720342.db2.gz FEHKQIDIHZSZEM-ZETCQYMHSA-N 0 1 272.688 2.153 20 5 CEBDMN C[C@@H]1C[NH+](Cc2ccc([N+](=O)[O-])cc2)C[C@@H](C)N1C(=O)[O-] ZINC000220638777 602832316 /nfs/dbraw/zinc/83/23/16/602832316.db2.gz NWUGJRNZTZQKDA-GHMZBOCLSA-N 0 1 293.323 2.167 20 5 CEBDMN O=C(NC1(Cc2cccc(F)c2)CCC1)[C@@H]1CC1[N+](=O)[O-] ZINC000840425032 634654889 /nfs/dbraw/zinc/65/48/89/634654889.db2.gz GBOOOLRPWUYEDM-CHWSQXEVSA-N 0 1 292.310 2.072 20 5 CEBDMN Cc1[nH]nc(CN2CCc3c(cccc3[N+](=O)[O-])C2)c1C ZINC000894029002 629095997 /nfs/dbraw/zinc/09/59/97/629095997.db2.gz XAXCCTJSBUQVEO-UHFFFAOYSA-N 0 1 286.335 2.493 20 5 CEBDMN O=C(OCc1cc(F)ccc1Cl)[C@@H]1CC1[N+](=O)[O-] ZINC000840673469 629357824 /nfs/dbraw/zinc/35/78/24/629357824.db2.gz OTDXGUBGNIQPLL-PSASIEDQSA-N 0 1 273.647 2.188 20 5 CEBDMN COc1cc([C@@H](C)NCCc2ccccc2[N+](=O)[O-])on1 ZINC000925155503 631123839 /nfs/dbraw/zinc/12/38/39/631123839.db2.gz VWUPEZYQKPNYMM-SNVBAGLBSA-N 0 1 291.307 2.485 20 5 CEBDMN CCc1cc(CNc2cc(N)ccc2[N+](=O)[O-])n[nH]1 ZINC000800851929 631149000 /nfs/dbraw/zinc/14/90/00/631149000.db2.gz YMQYJHUVKLYIIH-UHFFFAOYSA-N 0 1 261.285 2.075 20 5 CEBDMN CN1CCC[C@H]1CNc1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000804376949 631671936 /nfs/dbraw/zinc/67/19/36/631671936.db2.gz NXEWQGPJKBAOPT-VIFPVBQESA-N 0 1 280.284 2.009 20 5 CEBDMN CCc1cc(CNc2ccc(N)cc2[N+](=O)[O-])n[nH]1 ZINC000804451423 631685373 /nfs/dbraw/zinc/68/53/73/631685373.db2.gz JHEWNDGSLVEOEQ-UHFFFAOYSA-N 0 1 261.285 2.075 20 5 CEBDMN CCc1cc(CNc2c([N+](=O)[O-])cccc2[N+](=O)[O-])n[nH]1 ZINC000804451833 631685549 /nfs/dbraw/zinc/68/55/49/631685549.db2.gz XNCZKKACPWLZEP-UHFFFAOYSA-N 0 1 291.267 2.401 20 5 CEBDMN Cc1nc([C@H](C)OC(=O)c2cc([N+](=O)[O-])c(C)s2)n[nH]1 ZINC000840198733 632206405 /nfs/dbraw/zinc/20/64/05/632206405.db2.gz CLKPBJJCGQVDQR-YFKPBYRVSA-N 0 1 296.308 2.309 20 5 CEBDMN CC(C)(C(=O)NOC1CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000812793104 632582014 /nfs/dbraw/zinc/58/20/14/632582014.db2.gz OKUDISFIOWIPSD-UHFFFAOYSA-N 0 1 278.308 2.473 20 5 CEBDMN C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1CNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000899405917 632835448 /nfs/dbraw/zinc/83/54/48/632835448.db2.gz QXNLFVDEYWYLLE-UMGHXEBTSA-N 0 1 290.319 2.322 20 5 CEBDMN Cc1nsc(C)c1COC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000816342732 633176213 /nfs/dbraw/zinc/17/62/13/633176213.db2.gz DOCSNERJFZSXQJ-UHFFFAOYSA-N 0 1 281.293 2.353 20 5 CEBDMN CC[N@@H+](CC(=O)[O-])C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000901425098 634103741 /nfs/dbraw/zinc/10/37/41/634103741.db2.gz SGNOANVEKJXCDD-XFFZJAGNSA-N 0 1 278.308 2.405 20 5 CEBDMN Cc1nc([C@@H]2CCN(c3ccc(C)cc3[N+](=O)[O-])C2)n[nH]1 ZINC000840377733 634113129 /nfs/dbraw/zinc/11/31/29/634113129.db2.gz GOEFDIHBHFZGPS-LLVKDONJSA-N 0 1 287.323 2.324 20 5 CEBDMN Cc1nnc([C@@H]2CCN(c3ccc(C)cc3[N+](=O)[O-])C2)[nH]1 ZINC000840377733 634113132 /nfs/dbraw/zinc/11/31/32/634113132.db2.gz GOEFDIHBHFZGPS-LLVKDONJSA-N 0 1 287.323 2.324 20 5 CEBDMN O=C(CCN1CCC[C@H](F)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000902995368 634924656 /nfs/dbraw/zinc/92/46/56/634924656.db2.gz CJURBAFPZSNWDX-NSHDSACASA-N 0 1 295.314 2.357 20 5 CEBDMN COc1cc([C@@H](C)NCc2cnn(C)c2)cc([N+](=O)[O-])c1 ZINC000903075942 634958253 /nfs/dbraw/zinc/95/82/53/634958253.db2.gz HKIUXFRDOLCOFS-SNVBAGLBSA-N 0 1 290.323 2.188 20 5 CEBDMN Nc1ccc(-c2noc([C@H]3CCCCN3)n2)cc1[N+](=O)[O-] ZINC000822635018 634959792 /nfs/dbraw/zinc/95/97/92/634959792.db2.gz NHYVVEAGVNSIHY-SNVBAGLBSA-N 0 1 289.295 2.042 20 5 CEBDMN O=C([O-])CC[C@@H]1CCCC[N@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000903407343 635102999 /nfs/dbraw/zinc/10/29/99/635102999.db2.gz GMRGRBINXNMYAX-LBPRGKRZSA-N 0 1 293.323 2.209 20 5 CEBDMN Cc1[nH]c2c(cc(C)cc2CNCC[N+](=O)[O-])c1C ZINC000905059749 635805835 /nfs/dbraw/zinc/80/58/35/635805835.db2.gz HXXVNAGJBBJNNQ-UHFFFAOYSA-N 0 1 261.325 2.459 20 5 CEBDMN C[C@H](COc1ccccc1C(F)(F)F)NCC[N+](=O)[O-] ZINC000905066012 635809629 /nfs/dbraw/zinc/80/96/29/635809629.db2.gz AIBOUEPPARKWMV-SECBINFHSA-N 0 1 292.257 2.339 20 5 CEBDMN O=[N+]([O-])CCN[C@@H]1CCCc2c(F)cc(F)cc21 ZINC000905274218 636202030 /nfs/dbraw/zinc/20/20/30/636202030.db2.gz NWLGHOFIYFRTIM-GFCCVEGCSA-N 0 1 256.252 2.209 20 5 CEBDMN O=[N+]([O-])CCNC[C@H](O)c1ccc(-c2ccccc2)cc1 ZINC000905365594 636246686 /nfs/dbraw/zinc/24/66/86/636246686.db2.gz KOJTVKQIYOOPIS-INIZCTEOSA-N 0 1 286.331 2.253 20 5 CEBDMN COCC1(CC(=O)OCc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000829870565 636947625 /nfs/dbraw/zinc/94/76/25/636947625.db2.gz POMAZGCQMNEGAX-UHFFFAOYSA-N 0 1 295.291 2.160 20 5 CEBDMN Cc1cc(N[C@H]2CC[N@@H+](C)[C@@H]2C)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000910355939 638025319 /nfs/dbraw/zinc/02/53/19/638025319.db2.gz PJULIGVWOGUKCJ-KOLCDFICSA-N 0 1 293.323 2.106 20 5 CEBDMN O=C(OCc1cc(O)ccc1[N+](=O)[O-])[C@H]1CCCS1 ZINC000837553970 639279735 /nfs/dbraw/zinc/27/97/35/639279735.db2.gz CURQMBXLNRMMDZ-LLVKDONJSA-N 0 1 283.305 2.239 20 5 CEBDMN CC1(C(=O)OCc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000837576192 639290356 /nfs/dbraw/zinc/29/03/56/639290356.db2.gz ULEFKLZYFNCANA-UHFFFAOYSA-N 0 1 251.238 2.144 20 5 CEBDMN CC(C)(C)C[C@@H](O)C(=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837592611 639298247 /nfs/dbraw/zinc/29/82/47/639298247.db2.gz PKPJVCDBUQCUII-GFCCVEGCSA-N 0 1 297.307 2.141 20 5 CEBDMN CC[C@H](C)OCC(=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837593168 639299135 /nfs/dbraw/zinc/29/91/35/639299135.db2.gz NURJAVFZMIVMIQ-VIFPVBQESA-N 0 1 283.280 2.159 20 5 CEBDMN O=C(CCC(F)F)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837695877 639345995 /nfs/dbraw/zinc/34/59/95/639345995.db2.gz LRKCGDJMCPSFNW-UHFFFAOYSA-N 0 1 275.207 2.389 20 5 CEBDMN C[C@@H]1C[C@@H](C)[C@@H](C(=O)OCc2cc(O)ccc2[N+](=O)[O-])O1 ZINC000837703584 639350649 /nfs/dbraw/zinc/35/06/49/639350649.db2.gz GWJJJJPUEGIJRF-KKFJDGPESA-N 0 1 295.291 2.157 20 5 CEBDMN CO[C@H](COC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000840673455 639521076 /nfs/dbraw/zinc/52/10/76/639521076.db2.gz NYGMMYNSHUJVKR-IJLUTSLNSA-N 0 1 299.710 2.236 20 5 CEBDMN O=C(Nc1cc2c(cc1Cl)CCC2=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000841199996 639704962 /nfs/dbraw/zinc/70/49/62/639704962.db2.gz WQPLRFIVDOLDNK-LDYMZIIASA-N 0 1 294.694 2.073 20 5 CEBDMN Cc1cccc(OC(=O)[C@@H]2CC2[N+](=O)[O-])c1Cl ZINC000841201487 639705018 /nfs/dbraw/zinc/70/50/18/639705018.db2.gz YAIMZXIZIKYKHU-HTQZYQBOSA-N 0 1 255.657 2.219 20 5 CEBDMN CC1(C)[C@@H]2CN(Cn3ncc4ccc([N+](=O)[O-])cc43)C[C@@H]21 ZINC000172938463 639830213 /nfs/dbraw/zinc/83/02/13/639830213.db2.gz FZMCFNKKPPLZAY-BETUJISGSA-N 0 1 286.335 2.490 20 5 CEBDMN CC1CCC(OC2CCN(CC[N+](=O)[O-])CC2)CC1 ZINC000929603219 639992978 /nfs/dbraw/zinc/99/29/78/639992978.db2.gz KSEDLJYPBICUTK-UHFFFAOYSA-N 0 1 270.373 2.323 20 5 CEBDMN O=C(OC1(Cc2ccc(F)cc2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC000842342101 640021954 /nfs/dbraw/zinc/02/19/54/640021954.db2.gz YCHDZKJPIZQAEZ-VXGBXAGGSA-N 0 1 279.267 2.109 20 5 CEBDMN C[C@H]1CC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C[C@H]1C(=O)[O-] ZINC000842937917 640225447 /nfs/dbraw/zinc/22/54/47/640225447.db2.gz SOGGZBMQCGHJQN-JOYOIKCWSA-N 0 1 296.298 2.277 20 5 CEBDMN CCCN[C@@H](C)c1nc(-c2ccc([N+](=O)[O-])o2)no1 ZINC000843238813 640365646 /nfs/dbraw/zinc/36/56/46/640365646.db2.gz ZZFAFHFSQZTBTB-ZETCQYMHSA-N 0 1 266.257 2.298 20 5 CEBDMN O=[N+]([O-])c1ccc(Cl)c(CN[C@H](CO)CCF)c1 ZINC000846096318 641179613 /nfs/dbraw/zinc/17/96/13/641179613.db2.gz GIHBSPOAQJYLBN-VIFPVBQESA-N 0 1 276.695 2.058 20 5 CEBDMN CCN1C[C@H](CN[C@@H](C)c2cccc([N+](=O)[O-])c2)OC1=O ZINC000846845416 641451019 /nfs/dbraw/zinc/45/10/19/641451019.db2.gz OAQGWGTVKITQBA-GWCFXTLKSA-N 0 1 293.323 2.086 20 5 CEBDMN CC[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccccc1F ZINC000847145665 641583325 /nfs/dbraw/zinc/58/33/25/641583325.db2.gz SABVPDAPRFEGFU-YUSALJHKSA-N 0 1 266.272 2.058 20 5 CEBDMN O=C(OCCCc1cncs1)c1ccc([N+](=O)[O-])[nH]1 ZINC000847777343 641768255 /nfs/dbraw/zinc/76/82/55/641768255.db2.gz PONZHPBUXKWIEB-UHFFFAOYSA-N 0 1 281.293 2.169 20 5 CEBDMN O=C(OC[C@H]1CCc2cccnc21)c1ccc([N+](=O)[O-])[nH]1 ZINC000847835528 641801120 /nfs/dbraw/zinc/80/11/20/641801120.db2.gz ALQLDOJAIMRMKP-SNVBAGLBSA-N 0 1 287.275 2.205 20 5 CEBDMN CCc1nc([C@H](C)OC(=O)c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000849670532 642395310 /nfs/dbraw/zinc/39/53/10/642395310.db2.gz WHHFWAWLMGWBMI-QMMMGPOBSA-N 0 1 290.279 2.193 20 5 CEBDMN Cc1cc(CC(=O)O[C@@H](C)c2ccccc2[N+](=O)[O-])n[nH]1 ZINC000756243759 642550800 /nfs/dbraw/zinc/55/08/00/642550800.db2.gz MWFALZNZTHANRC-JTQLQIEISA-N 0 1 289.291 2.473 20 5 CEBDMN CC(C)CNC(=O)[C@@H](C)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000228977422 643380310 /nfs/dbraw/zinc/38/03/10/643380310.db2.gz WUFKVRIGBOCUEM-VXGBXAGGSA-N 0 1 293.367 2.406 20 5 CEBDMN O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CC[C@H]2COC[C@@H]2C1 ZINC000852669978 643505778 /nfs/dbraw/zinc/50/57/78/643505778.db2.gz UOEVHLLSZGQSSJ-JQWIXIFHSA-N 0 1 280.299 2.202 20 5 CEBDMN O=[N+]([O-])c1ccc(F)cc1CN1CC[C@H]2COC[C@@H]2C1 ZINC000852669978 643505785 /nfs/dbraw/zinc/50/57/85/643505785.db2.gz UOEVHLLSZGQSSJ-JQWIXIFHSA-N 0 1 280.299 2.202 20 5 CEBDMN COC(=O)[C@]12C[C@H]1C[C@H](NCc1csc([N+](=O)[O-])c1)C2 ZINC000877722801 650871053 /nfs/dbraw/zinc/87/10/53/650871053.db2.gz KLNUBAUERRDFLX-NRUUGDAUSA-N 0 1 296.348 2.088 20 5 CEBDMN CC(C)(CCC(=O)NCc1ccc2nc[nH]c2c1)[N+](=O)[O-] ZINC000854810277 644174943 /nfs/dbraw/zinc/17/49/43/644174943.db2.gz PCJCSKNYIBTGDW-UHFFFAOYSA-N 0 1 290.323 2.015 20 5 CEBDMN C[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccc2c(c1)CCCC2 ZINC000839471317 644236548 /nfs/dbraw/zinc/23/65/48/644236548.db2.gz WHQJJIOJFFQDQZ-COLVAYQJSA-N 0 1 288.347 2.408 20 5 CEBDMN C[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1c(F)cccc1Cl ZINC000839695758 644776018 /nfs/dbraw/zinc/77/60/18/644776018.db2.gz ATXNSOFDQDOXAI-NYNCVSEMSA-N 0 1 286.690 2.322 20 5 CEBDMN CN(Cc1cc2ccccc2o1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839695223 644776143 /nfs/dbraw/zinc/77/61/43/644776143.db2.gz CDLFYDBMEWMYAZ-VXGBXAGGSA-N 0 1 274.276 2.056 20 5 CEBDMN O=C(Nc1ccc2nc(C3CC3)oc2c1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839701775 644778191 /nfs/dbraw/zinc/77/81/91/644778191.db2.gz QMQDRKPKZNPPKS-MWLCHTKSSA-N 0 1 287.275 2.309 20 5 CEBDMN Cc1ccc([C@H]2C[C@@H](C)N(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)cc1 ZINC000839748288 644804978 /nfs/dbraw/zinc/80/49/78/644804978.db2.gz ZBPQHFMOTCAVRP-FAAHXZRKSA-N 0 1 288.347 2.365 20 5 CEBDMN O=C(NCc1c(Cl)oc2ccccc21)[C@@H]1CC1[N+](=O)[O-] ZINC000862774989 646565181 /nfs/dbraw/zinc/56/51/81/646565181.db2.gz FCCOCFNFBZRNBF-PSASIEDQSA-N 0 1 294.694 2.368 20 5 CEBDMN C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])NCc1nccn1C ZINC000866258428 647699422 /nfs/dbraw/zinc/69/94/22/647699422.db2.gz WFPDMZIPVVBSPU-SNVBAGLBSA-N 0 1 292.314 2.188 20 5 CEBDMN CN(Cc1ccc([N+](=O)[O-])c(Cl)c1)CC1(CO)CC1 ZINC000783732480 647753125 /nfs/dbraw/zinc/75/31/25/647753125.db2.gz FODMQZYPCNYRGN-UHFFFAOYSA-N 0 1 284.743 2.453 20 5 CEBDMN CC[C@@H](C)CCNC(=O)[C@](C)(N)c1cccc([N+](=O)[O-])c1 ZINC000867984678 648011176 /nfs/dbraw/zinc/01/11/76/648011176.db2.gz QZOZLHNPSTWGBG-IAQYHMDHSA-N 0 1 293.367 2.321 20 5 CEBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1C[C@@H]2CC=CC[C@@H]2C1 ZINC000871519929 649095051 /nfs/dbraw/zinc/09/50/51/649095051.db2.gz QBKRSOIJMGKNBM-PHIMTYICSA-N 0 1 288.303 2.339 20 5 CEBDMN C[C@H](O)CCN[C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872036102 649249165 /nfs/dbraw/zinc/24/91/65/649249165.db2.gz RVEQONTWHRJVEY-IUCAKERBSA-N 0 1 256.277 2.155 20 5 CEBDMN C[C@@H](NCCc1ccnn1C)c1c(F)cccc1[N+](=O)[O-] ZINC000872062778 649258369 /nfs/dbraw/zinc/25/83/69/649258369.db2.gz POSYABJSWSCJNV-SNVBAGLBSA-N 0 1 292.314 2.361 20 5 CEBDMN CON1CCC(N[C@H](C)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000872078966 649266338 /nfs/dbraw/zinc/26/63/38/649266338.db2.gz FIPNVZUUYLMAEU-SNVBAGLBSA-N 0 1 297.330 2.410 20 5 CEBDMN C[C@@H](N[C@H]1C[C@@H](CO)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872093555 649271411 /nfs/dbraw/zinc/27/14/11/649271411.db2.gz VYNQBWLUJNMLIF-BBBLOLIVSA-N 0 1 268.288 2.155 20 5 CEBDMN O=[N+]([O-])c1cccnc1N1CCN(CCCC2CC2)CC1 ZINC000878693855 651166447 /nfs/dbraw/zinc/16/64/47/651166447.db2.gz HRXADEJMECQYRF-UHFFFAOYSA-N 0 1 290.367 2.302 20 5 CEBDMN C[C@]1(c2ccccc2)CCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000882025689 651940980 /nfs/dbraw/zinc/94/09/80/651940980.db2.gz GBKSNIUVWPXFKI-UMVBOHGHSA-N 0 1 274.320 2.189 20 5 CEBDMN CC(C)C[C@H]1CCCN1Cn1cc([N+](=O)[O-])cn1 ZINC000129593277 652035899 /nfs/dbraw/zinc/03/58/99/652035899.db2.gz QOYDNFKTNHMORV-LLVKDONJSA-N 0 1 252.318 2.259 20 5 CEBDMN CC/C(C)=C/C(=O)NCCNCc1csc([N+](=O)[O-])c1 ZINC001126751520 806514885 /nfs/dbraw/zinc/51/48/85/806514885.db2.gz GLGSTTJCAAIEOB-UXBLZVDNSA-N 0 1 297.380 2.218 20 5 CEBDMN Cc1nnc(S/C=C/c2ccc([N+](=O)[O-])o2)[nH]1 ZINC001115829688 814759496 /nfs/dbraw/zinc/75/94/96/814759496.db2.gz HYTSTRPGUGGLEO-SNAWJCMRSA-N 0 1 252.255 2.377 20 5 CEBDMN Cc1n[nH]c(S/C=C/c2ccc([N+](=O)[O-])o2)n1 ZINC001115829688 814759501 /nfs/dbraw/zinc/75/95/01/814759501.db2.gz HYTSTRPGUGGLEO-SNAWJCMRSA-N 0 1 252.255 2.377 20 5 CEBDMN C[C@H]1CN(Cc2cc(F)ccc2[N+](=O)[O-])C[C@]1(C)CO ZINC000694696173 803580182 /nfs/dbraw/zinc/58/01/82/803580182.db2.gz XVGMNHCFDDSEPM-IINYFYTJSA-N 0 1 282.315 2.184 20 5 CEBDMN Cc1ncc(COC(=O)c2ccc([N+](=O)[O-])[nH]2)s1 ZINC000918537042 807977443 /nfs/dbraw/zinc/97/74/43/807977443.db2.gz GJWYVSLTRBQWFS-UHFFFAOYSA-N 0 1 267.266 2.045 20 5 CEBDMN CN(Cc1cc(Cl)ccc1[N+](=O)[O-])C[C@H]1C[C@@H](O)C1 ZINC000703635649 809673767 /nfs/dbraw/zinc/67/37/67/809673767.db2.gz PYHYLCYDGYVKGM-WVSHTKLVSA-N 0 1 284.743 2.451 20 5 CEBDMN O=[N+]([O-])c1ccc(CNCCOC2CCC2)c(F)c1 ZINC000709145570 809942986 /nfs/dbraw/zinc/94/29/86/809942986.db2.gz TWWMFKXOXRJPOQ-UHFFFAOYSA-N 0 1 268.288 2.393 20 5 CEBDMN CCN1CC[C@H]1CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000712333599 811192250 /nfs/dbraw/zinc/19/22/50/811192250.db2.gz GYOHADFXDLDNMS-JTQLQIEISA-N 0 1 297.742 2.072 20 5 CEBDMN O=C1CC[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)[C@@H]2CCCC[C@H]12 ZINC001169007588 811332311 /nfs/dbraw/zinc/33/23/11/811332311.db2.gz OIBNIIQAQUOFNJ-RFQIPJPRSA-N 0 1 280.368 2.265 20 5 CEBDMN CN(CC(=O)c1ccccc1)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169035805 811346674 /nfs/dbraw/zinc/34/66/74/811346674.db2.gz CJVSZTQVVCVOKC-OCCSQVGLSA-N 0 1 276.336 2.247 20 5 CEBDMN CCN(CC(=O)OC(C)(C)C)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169040369 811350808 /nfs/dbraw/zinc/35/08/08/811350808.db2.gz ZJSZUSSNISEEAL-VXGBXAGGSA-N 0 1 286.372 2.095 20 5 CEBDMN O=C(O[C@H]1CCCC=C1Br)[C@@H]1CC1[N+](=O)[O-] ZINC001123381130 815512960 /nfs/dbraw/zinc/51/29/60/815512960.db2.gz AQWNXVJHYOIHBQ-VDAHYXPESA-N 0 1 290.113 2.026 20 5 CEBDMN O=[N+]([O-])c1ccc2c(c1)CC[C@H](N1CC3(CCO3)C1)CC2 ZINC001172915248 815543837 /nfs/dbraw/zinc/54/38/37/815543837.db2.gz MQANNJAINZBVCO-CQSZACIVSA-N 0 1 288.347 2.317 20 5 CEBDMN CCC(CC)C(=O)NCCNCc1ccccc1[N+](=O)[O-] ZINC001123834854 815563829 /nfs/dbraw/zinc/56/38/29/815563829.db2.gz LJCUQUYOYRMRLL-UHFFFAOYSA-N 0 1 293.367 2.237 20 5 CEBDMN CCN1CCN(c2cc(OC)cc(F)c2[N+](=O)[O-])C[C@H]1C ZINC000754078814 814117579 /nfs/dbraw/zinc/11/75/79/814117579.db2.gz APWDFMFJIKHUKQ-SNVBAGLBSA-N 0 1 297.330 2.273 20 5 CEBDMN C[C@@](O)(CNCc1cc([N+](=O)[O-])ccc1Cl)C(F)F ZINC000698592790 814658236 /nfs/dbraw/zinc/65/82/36/814658236.db2.gz QFIOWIMDYXQMOB-LLVKDONJSA-N 0 1 294.685 2.354 20 5 CEBDMN CCN1CC[C@H]1CNc1cc(OC)ccc1[N+](=O)[O-] ZINC000712543835 814764498 /nfs/dbraw/zinc/76/44/98/814764498.db2.gz UUCUUDRJQFPYRQ-JTQLQIEISA-N 0 1 265.313 2.110 20 5 CEBDMN CCOc1cccc(NC[C@H]2CCN2CC)c1[N+](=O)[O-] ZINC000712550658 814765575 /nfs/dbraw/zinc/76/55/75/814765575.db2.gz VORZKDBIMFJLPS-LLVKDONJSA-N 0 1 279.340 2.500 20 5 CEBDMN Cc1cnc(CN)n1[C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173233460 815632386 /nfs/dbraw/zinc/63/23/86/815632386.db2.gz IVNLEIIGAWBKJS-SNVBAGLBSA-N 0 1 274.324 2.362 20 5 CEBDMN CC[C@H](NC(=O)c1[nH]ncc1F)c1cccc([N+](=O)[O-])c1 ZINC001137927794 815705630 /nfs/dbraw/zinc/70/56/30/815705630.db2.gz RVLQRSXITGKING-NSHDSACASA-N 0 1 292.270 2.338 20 5 CEBDMN CC[C@@H](C(=O)Nc1ccc(C)c([N+](=O)[O-])c1)N(C)C ZINC000124426729 187137002 /nfs/dbraw/zinc/13/70/02/187137002.db2.gz DMTDDYRMXYGKLM-NSHDSACASA-N 0 1 265.313 2.182 20 5 CEBDMN CC[C@H](NCc1csc([N+](=O)[O-])c1)[C@@H](O)C(F)F ZINC000294959212 199270410 /nfs/dbraw/zinc/27/04/10/199270410.db2.gz DQNVOAXPRYQPLL-IONNQARKSA-N 0 1 280.296 2.151 20 5 CEBDMN C[C@H](Cn1ccnc1)NCc1csc([N+](=O)[O-])c1 ZINC000037563127 361904794 /nfs/dbraw/zinc/90/47/94/361904794.db2.gz YYNZEKNPURKKHL-SECBINFHSA-N 0 1 266.326 2.031 20 5 CEBDMN Cc1cc([N+](=O)[O-])ccc1NCCCCN1CCOCC1 ZINC000080574551 344014912 /nfs/dbraw/zinc/01/49/12/344014912.db2.gz CTYXBJGXKPUTLT-UHFFFAOYSA-N 0 1 293.367 2.428 20 5 CEBDMN Cc1[nH]n(-c2cccc([N+](=O)[O-])c2)c(=O)c1C1CC1 ZINC000601932883 346929861 /nfs/dbraw/zinc/92/98/61/346929861.db2.gz TYHAUQVECZWFKH-LBPRGKRZSA-N 0 1 259.265 2.344 20 5 CEBDMN CC[C@@H]1[C@@H](CO)CCN1Cc1csc([N+](=O)[O-])c1 ZINC000449431852 282234633 /nfs/dbraw/zinc/23/46/33/282234633.db2.gz ZJBRJZMCDGLMDA-GHMZBOCLSA-N 0 1 270.354 2.249 20 5 CEBDMN C[C@H]1CCc2c(=O)n(-c3ccc([N+](=O)[O-])cc3)[nH]c21 ZINC000601935743 346931497 /nfs/dbraw/zinc/93/14/97/346931497.db2.gz XIDQHDSVJNCOFJ-KWQFWETISA-N 0 1 259.265 2.344 20 5 CEBDMN CCc1[nH]n(-c2ccc([N+](=O)[O-])cc2F)c(=O)c1C ZINC000601943631 346935909 /nfs/dbraw/zinc/93/59/09/346935909.db2.gz SCSSGVGQZPWQEV-SSDOTTSWSA-N 0 1 265.244 2.483 20 5 CEBDMN Cc1nccc(-c2cccc(NC(=O)[C@@H]3C[C@@H]3[N+](=O)[O-])c2)n1 ZINC000044499961 343473277 /nfs/dbraw/zinc/47/32/77/343473277.db2.gz YFHLPCOIKLXZOE-OCCSQVGLSA-N 0 1 298.302 2.056 20 5 CEBDMN Cc1cc(NCc2n[nH]c(C(C)C)n2)ncc1[N+](=O)[O-] ZINC000295055010 199321971 /nfs/dbraw/zinc/32/19/71/199321971.db2.gz YCRCRWRFEACZKW-UHFFFAOYSA-N 0 1 276.300 2.152 20 5 CEBDMN O=[N+]([O-])c1ccc(N2CCN(C3CC3)CC2)c2ccncc21 ZINC000067384115 343735628 /nfs/dbraw/zinc/73/56/28/343735628.db2.gz DIYVYAPWUIDBFS-UHFFFAOYSA-N 0 1 298.346 2.427 20 5 CEBDMN CNC(=O)C1CCN([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000075613429 343859339 /nfs/dbraw/zinc/85/93/39/343859339.db2.gz GQLRPUJRVZRPAC-NSHDSACASA-N 0 1 291.351 2.114 20 5 CEBDMN Cc1ccc([N+](=O)[O-])c(NCCCCN2CCOCC2)c1 ZINC000088701157 344113131 /nfs/dbraw/zinc/11/31/31/344113131.db2.gz ZRUMMFBJFRJILP-UHFFFAOYSA-N 0 1 293.367 2.428 20 5 CEBDMN O=[N+]([O-])c1ccc(O)cc1CN1CCO[C@H]2CCCC[C@@H]21 ZINC000091978624 344174731 /nfs/dbraw/zinc/17/47/31/344174731.db2.gz NMDOZKDVFYKFCM-GJZGRUSLSA-N 0 1 292.335 2.444 20 5 CEBDMN COc1ccc(CN2CCC[C@H]([C@@H](C)O)C2)cc1[N+](=O)[O-] ZINC000089927359 344131187 /nfs/dbraw/zinc/13/11/87/344131187.db2.gz VMGHSXCBCIWFJI-YPMHNXCESA-N 0 1 294.351 2.196 20 5 CEBDMN C[C@H](N(C)Cc1cn(C)nc1[N+](=O)[O-])C(C)(C)C ZINC000602443675 347035370 /nfs/dbraw/zinc/03/53/70/347035370.db2.gz HOUQRTGHKKFSAJ-VIFPVBQESA-N 0 1 254.334 2.195 20 5 CEBDMN CC[C@H](O)[C@H]1CCCC[N@H+]1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000093321576 344219909 /nfs/dbraw/zinc/21/99/09/344219909.db2.gz ZIDPNTYQJQQZGX-CABCVRRESA-N 0 1 294.351 2.426 20 5 CEBDMN CCn1nccc1CNCc1cccc([N+](=O)[O-])c1 ZINC000125304818 344318793 /nfs/dbraw/zinc/31/87/93/344318793.db2.gz FZVKARBSSUXRST-UHFFFAOYSA-N 0 1 260.297 2.101 20 5 CEBDMN COc1cc(N[C@H]2CCN(C3CC3)C2)c(F)cc1[N+](=O)[O-] ZINC000227858131 344556921 /nfs/dbraw/zinc/55/69/21/344556921.db2.gz LDCHHMMTZAAANW-VIFPVBQESA-N 0 1 295.314 2.391 20 5 CEBDMN C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@](C)(C(=O)[O-])C1 ZINC000227826236 344556936 /nfs/dbraw/zinc/55/69/36/344556936.db2.gz QDSDIQJAWRKWQH-YGRLFVJLSA-N 0 1 278.308 2.452 20 5 CEBDMN COc1ccc(CN(C)C[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000052103090 362467396 /nfs/dbraw/zinc/46/73/96/362467396.db2.gz UCRQVLZADSOMSB-GFCCVEGCSA-N 0 1 280.324 2.214 20 5 CEBDMN CN(CC(=O)OC(C)(C)C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000338954065 282361195 /nfs/dbraw/zinc/36/11/95/282361195.db2.gz VYFRDJBKCOUHRY-UHFFFAOYSA-N 0 1 296.323 2.074 20 5 CEBDMN CO[C@@H](C)CN(C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000586787098 345021843 /nfs/dbraw/zinc/02/18/43/345021843.db2.gz ZIGUAFNYLKFABY-VIFPVBQESA-N 0 1 279.296 2.203 20 5 CEBDMN COC(=O)c1ccc([N+](=O)[O-])c(CN2CCC[C@@H]2C)c1 ZINC000589498126 345084375 /nfs/dbraw/zinc/08/43/75/345084375.db2.gz OCQXMJZCWNUUEY-JTQLQIEISA-N 0 1 278.308 2.366 20 5 CEBDMN Cc1sc(-c2nc([C@@H]3CCCN3)no2)cc1[N+](=O)[O-] ZINC000592356620 345345110 /nfs/dbraw/zinc/34/51/10/345345110.db2.gz BCCDQCANTVLQOS-ZETCQYMHSA-N 0 1 280.309 2.439 20 5 CEBDMN C[C@@H]1[C@H](C)N(C(=O)c2ccccc2[N+](=O)[O-])[C@@H](C)CN1C ZINC000593187201 345450921 /nfs/dbraw/zinc/45/09/21/345450921.db2.gz HBRYUHRXNFKSBJ-TUAOUCFPSA-N 0 1 291.351 2.148 20 5 CEBDMN C[C@@H]1CCCN(Cc2cc([O-])ccc2[N+](=O)[O-])[C@@H]1CC[NH3+] ZINC000593733298 345529318 /nfs/dbraw/zinc/52/93/18/345529318.db2.gz LENPBAYCYYOGAB-BXUZGUMPSA-N 0 1 293.367 2.250 20 5 CEBDMN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCCn1cccn1 ZINC000595014330 345726888 /nfs/dbraw/zinc/72/68/88/345726888.db2.gz OFFHBIBAJGTMNR-NSHDSACASA-N 0 1 290.323 2.151 20 5 CEBDMN Cc1noc(CN2CCc3ccccc3CC2)c1[N+](=O)[O-] ZINC000595322120 345761606 /nfs/dbraw/zinc/76/16/06/345761606.db2.gz LTLJTJNOJPTMHL-UHFFFAOYSA-N 0 1 287.319 2.492 20 5 CEBDMN O=[N+]([O-])c1ccccc1CN[C@H]1CO[C@@H](C2CC2)C1 ZINC000597047905 346120301 /nfs/dbraw/zinc/12/03/01/346120301.db2.gz RXMWQVVWTWJIRA-TZMCWYRMSA-N 0 1 262.309 2.252 20 5 CEBDMN O=C(NCC[C@@H]1CC1(F)F)c1cc(O)cc([N+](=O)[O-])c1 ZINC000598785018 346420017 /nfs/dbraw/zinc/42/00/17/346420017.db2.gz WGNYLTQWKJGWDN-MRVPVSSYSA-N 0 1 286.234 2.076 20 5 CEBDMN O=[N+]([O-])c1ccc(CN2CC[C@H]3CC[C@@H](C2)[S@]3=O)cc1 ZINC000599632178 346549880 /nfs/dbraw/zinc/54/98/80/346549880.db2.gz ZOJKAFWKONPUNG-CKNLXJGOSA-N 0 1 294.376 2.080 20 5 CEBDMN C[C@@H]1C[C@@H](NCc2nc3cc([N+](=O)[O-])ccc3o2)[C@H](C)O1 ZINC000602733946 347177928 /nfs/dbraw/zinc/17/79/28/347177928.db2.gz GLWJVFOAGZQBOG-WCABBAIRSA-N 0 1 291.307 2.392 20 5 CEBDMN Cc1occc1CN(C)CCn1c(C)ncc1[N+](=O)[O-] ZINC000602764971 347188693 /nfs/dbraw/zinc/18/86/93/347188693.db2.gz RPYFTCRVDPMUJM-UHFFFAOYSA-N 0 1 278.312 2.133 20 5 CEBDMN CC[C@@]1(O)CCCN(Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000602983126 347265959 /nfs/dbraw/zinc/26/59/59/347265959.db2.gz CCASVEWVIQUPLX-OAHLLOKOSA-N 0 1 294.351 2.340 20 5 CEBDMN CCCc1[nH]nc(C(=O)N2CCC23CCC3)c1[N+](=O)[O-] ZINC000610543632 347691278 /nfs/dbraw/zinc/69/12/78/347691278.db2.gz WMINKYSHYOJFQS-UHFFFAOYSA-N 0 1 278.312 2.039 20 5 CEBDMN CCN1CCN(c2cc(OC)ccc2[N+](=O)[O-])C[C@@H]1C ZINC000611084697 347738109 /nfs/dbraw/zinc/73/81/09/347738109.db2.gz KTRKZTCRZXCNFJ-NSHDSACASA-N 0 1 279.340 2.134 20 5 CEBDMN CC(C)N(C)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611249783 347758348 /nfs/dbraw/zinc/75/83/48/347758348.db2.gz UQZFVLICKCPJLZ-UHFFFAOYSA-N 0 1 266.297 2.206 20 5 CEBDMN Cc1ccc(CN(CC(N)=O)C2CCCC2)cc1[N+](=O)[O-] ZINC000611254289 347758985 /nfs/dbraw/zinc/75/89/85/347758985.db2.gz QWFXHJCYSQLJDO-UHFFFAOYSA-N 0 1 291.351 2.133 20 5 CEBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC2(CC2)CC1 ZINC000611556470 347794024 /nfs/dbraw/zinc/79/40/24/347794024.db2.gz BUCRIBRKEJADCC-UHFFFAOYSA-N 0 1 276.292 2.317 20 5 CEBDMN C[C@H]1CCN(Cc2cc(O)ccc2[N+](=O)[O-])C[C@@H]1F ZINC000611521516 347790637 /nfs/dbraw/zinc/79/06/37/347790637.db2.gz NZPQLTHCMAIRNA-CABZTGNLSA-N 0 1 268.288 2.480 20 5 CEBDMN C[C@H]1CCN(Cc2cc(O)ccc2[N+](=O)[O-])C[C@H]1F ZINC000611521517 347790677 /nfs/dbraw/zinc/79/06/77/347790677.db2.gz NZPQLTHCMAIRNA-JOYOIKCWSA-N 0 1 268.288 2.480 20 5 CEBDMN C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[C@@H](n2cncn2)C1 ZINC000614418882 348197705 /nfs/dbraw/zinc/19/77/05/348197705.db2.gz DMHGACPLJPXHJB-BXUZGUMPSA-N 0 1 287.323 2.194 20 5 CEBDMN COC[C@@]1(C)CCN(Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000295152033 199374788 /nfs/dbraw/zinc/37/47/88/199374788.db2.gz RFSFUCPWLSRYAO-HNNXBMFYSA-N 0 1 294.351 2.462 20 5 CEBDMN CN(C)[C@H](CNc1ncc([N+](=O)[O-])cn1)c1ccsc1 ZINC000273643501 192244181 /nfs/dbraw/zinc/24/41/81/192244181.db2.gz SPPAAOJVBDJUGS-LLVKDONJSA-N 0 1 293.352 2.161 20 5 CEBDMN COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H]1CC(=O)[O-] ZINC000579364897 366634797 /nfs/dbraw/zinc/63/47/97/366634797.db2.gz DVVRBCBGXBGVAQ-NSHDSACASA-N 0 1 294.307 2.043 20 5 CEBDMN O=[N+]([O-])c1ccccc1CCN[C@@H]1CCn2ccnc21 ZINC000297968120 200311029 /nfs/dbraw/zinc/31/10/29/200311029.db2.gz ZRSLXMNVLLXNBS-GFCCVEGCSA-N 0 1 272.308 2.068 20 5 CEBDMN C[C@H](CO)[N@@H+](Cc1cc([O-])ccc1[N+](=O)[O-])C1CCCC1 ZINC000339108620 366657228 /nfs/dbraw/zinc/65/72/28/366657228.db2.gz QXNBNNSIVFBCFQ-LLVKDONJSA-N 0 1 294.351 2.426 20 5 CEBDMN C[C@@H]1[C@@H](C)CCN1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000177875932 189076182 /nfs/dbraw/zinc/07/61/82/189076182.db2.gz NBPZDCSCPSBVLU-NWDGAFQWSA-N 0 1 291.351 2.288 20 5 CEBDMN C[C@@H]1CSCCN1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000178863573 189151759 /nfs/dbraw/zinc/15/17/59/189151759.db2.gz ZWPOQVLVUKGDFW-MFKMUULPSA-N 0 1 282.365 2.066 20 5 CEBDMN CC1(O)CCN(C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000179722809 189216836 /nfs/dbraw/zinc/21/68/36/189216836.db2.gz OQJGTQIKJRHIGK-GQCTYLIASA-N 0 1 276.336 2.455 20 5 CEBDMN O=[N+]([O-])c1ccc([O-])cc1C[N@H+]1CCC[C@@H]1[C@H]1CCCO1 ZINC000339168071 366687669 /nfs/dbraw/zinc/68/76/69/366687669.db2.gz KCAYCTFSHNGIGY-HUUCEWRRSA-N 0 1 292.335 2.444 20 5 CEBDMN Cc1ccc2nc(CNc3c([N+](=O)[O-])ncn3C)[nH]c2c1 ZINC000342435131 216350238 /nfs/dbraw/zinc/35/02/38/216350238.db2.gz JFVJMYCUDZOPOX-UHFFFAOYSA-N 0 1 286.295 2.125 20 5 CEBDMN O=[N+]([O-])c1cnc(Nc2cnn(Cc3ccccc3)c2)nc1 ZINC000302113561 201345623 /nfs/dbraw/zinc/34/56/23/201345623.db2.gz QNPIQVHPLADJGT-UHFFFAOYSA-N 0 1 296.290 2.373 20 5 CEBDMN CC(C)CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000103202367 364634093 /nfs/dbraw/zinc/63/40/93/364634093.db2.gz JYKQNRVJKQKUDI-UHFFFAOYSA-N 0 1 289.295 2.365 20 5 CEBDMN C[C@@H]1[C@H](C)N(C)CCN1c1ccc(F)cc1[N+](=O)[O-] ZINC000356793113 370795891 /nfs/dbraw/zinc/79/58/91/370795891.db2.gz KBLCBLQAVPQFMF-VHSXEESVSA-N 0 1 267.304 2.263 20 5 CEBDMN CCO[C@@H]1C[C@@H]1N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000584509482 367165568 /nfs/dbraw/zinc/16/55/68/367165568.db2.gz TZPQHFMSCWANAU-TVYUQYBPSA-N 0 1 250.298 2.423 20 5 CEBDMN Cc1cccc([C@H](C)CNC(=O)c2n[nH]cc2[N+](=O)[O-])c1 ZINC000163897929 367270888 /nfs/dbraw/zinc/27/08/88/367270888.db2.gz XKRNUPDNQIKRJU-SNVBAGLBSA-N 0 1 288.307 2.160 20 5 CEBDMN COc1cc(CN[C@@H](C)c2cnn(C)c2)ccc1[N+](=O)[O-] ZINC000348314727 368997651 /nfs/dbraw/zinc/99/76/51/368997651.db2.gz ZQDUDPJPUIABQT-JTQLQIEISA-N 0 1 290.323 2.188 20 5 CEBDMN C/C=C/C[C@@H](CO)NCc1ccc([N+](=O)[O-])cc1F ZINC000349791215 369401827 /nfs/dbraw/zinc/40/18/27/369401827.db2.gz OSRVRCGUFBFGGN-VUDBWIFFSA-N 0 1 268.288 2.151 20 5 CEBDMN COc1ccc([N+](=O)[O-])cc1CN(C)C[C@@H]1CCC[C@H]1O ZINC000246423000 370959480 /nfs/dbraw/zinc/95/94/80/370959480.db2.gz IIBHILGGTNGULJ-SMDDNHRTSA-N 0 1 294.351 2.196 20 5 CEBDMN C[C@H]1C[C@@H](Nc2ncc([N+](=O)[O-])s2)CN1C1CC1 ZINC000192482781 369818983 /nfs/dbraw/zinc/81/89/83/369818983.db2.gz MWLIIMDQDFEZKQ-JGVFFNPUSA-N 0 1 268.342 2.088 20 5 CEBDMN CCO[C@@H]1COCC[C@H]1NCc1ccc([N+](=O)[O-])cc1F ZINC000353163836 370047425 /nfs/dbraw/zinc/04/74/25/370047425.db2.gz CRMPGMMLNJRUGW-ZIAGYGMSSA-N 0 1 298.314 2.018 20 5 CEBDMN COc1ccc([N+](=O)[O-])cc1CN(C)CCCCCO ZINC000227114433 370359458 /nfs/dbraw/zinc/35/94/58/370359458.db2.gz KGSOTNURSCSRJC-UHFFFAOYSA-N 0 1 282.340 2.198 20 5 CEBDMN Cc1c(C[N@@H+](C)CCCCCO)cccc1[N+](=O)[O-] ZINC000227118818 370361442 /nfs/dbraw/zinc/36/14/42/370361442.db2.gz HCBAUEVCDLSZPW-UHFFFAOYSA-N 0 1 266.341 2.498 20 5 CEBDMN Cc1cc(CNCc2cccc([N+](=O)[O-])c2C)n(C)n1 ZINC000231885934 370497258 /nfs/dbraw/zinc/49/72/58/370497258.db2.gz PJJNAMRXGRNXAM-UHFFFAOYSA-N 0 1 274.324 2.235 20 5 CEBDMN Cc1n[nH]cc1CNCc1cccc([N+](=O)[O-])c1C ZINC000231884440 370497599 /nfs/dbraw/zinc/49/75/99/370497599.db2.gz VXXRBYLPDFELEF-UHFFFAOYSA-N 0 1 260.297 2.225 20 5 CEBDMN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@@H](OCCO)C1 ZINC000246752978 371003945 /nfs/dbraw/zinc/00/39/45/371003945.db2.gz JPXRDQMEHYVTRX-SWLSCSKDSA-N 0 1 294.351 2.129 20 5 CEBDMN COc1cc(CN2CC[C@@H](CO)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000344136787 217068435 /nfs/dbraw/zinc/06/84/35/217068435.db2.gz VAQCFQYJYBHPJH-DGCLKSJQSA-N 0 1 294.351 2.196 20 5 CEBDMN C[C@H]1CCC[C@H]1NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000269286813 372408461 /nfs/dbraw/zinc/40/84/61/372408461.db2.gz NVSFAHDSRAOTJJ-QPUJVOFHSA-N 0 1 264.281 2.219 20 5 CEBDMN Cc1[nH]nc(C(=O)N2CC[C@@H](C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000269856629 372579413 /nfs/dbraw/zinc/57/94/13/372579413.db2.gz YWUNHKSALXUTJX-BDAKNGLRSA-N 0 1 280.328 2.135 20 5 CEBDMN C[C@@H](O)C[C@H]1CCCN1Cc1ccc([N+](=O)[O-])cc1F ZINC000269869003 372583009 /nfs/dbraw/zinc/58/30/09/372583009.db2.gz YDSHJYKIQMTJKE-ZYHUDNBSSA-N 0 1 282.315 2.469 20 5 CEBDMN C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)[C@H]1CC1[N+](=O)[O-] ZINC000364547668 372750366 /nfs/dbraw/zinc/75/03/66/372750366.db2.gz SBAIJVGDSDDNRI-VZZFWQQMSA-N 0 1 274.320 2.056 20 5 CEBDMN CCc1nc([C@@H](C)Nc2cc(C)c([N+](=O)[O-])cn2)n[nH]1 ZINC000270621193 372868314 /nfs/dbraw/zinc/86/83/14/372868314.db2.gz CIVCDCZAXGORGO-MRVPVSSYSA-N 0 1 276.300 2.152 20 5 CEBDMN CCN(CC1CC1)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272481132 373508005 /nfs/dbraw/zinc/50/80/05/373508005.db2.gz GBTHQHQMFMCQTO-UHFFFAOYSA-N 0 1 264.281 2.173 20 5 CEBDMN C[C@@H]1CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)[C@@H]1C ZINC000272680146 373612281 /nfs/dbraw/zinc/61/22/81/373612281.db2.gz NFLBJIBSCYKZRX-RKDXNWHRSA-N 0 1 264.281 2.171 20 5 CEBDMN COc1ccc(CN(C)C[C@@H](C)OC)cc1[N+](=O)[O-] ZINC000272791610 373659767 /nfs/dbraw/zinc/65/97/67/373659767.db2.gz JJSFNRCNZPIABI-SNVBAGLBSA-N 0 1 268.313 2.070 20 5 CEBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(C2CCCC2)CC1 ZINC000371117448 373792338 /nfs/dbraw/zinc/79/23/38/373792338.db2.gz LZOBQLPNYXQPAU-CHWSQXEVSA-N 0 1 266.341 2.080 20 5 CEBDMN CC[C@H](C)c1nc([C@@H](C)Nc2c([N+](=O)[O-])ncn2C)n[nH]1 ZINC000277479878 374535745 /nfs/dbraw/zinc/53/57/45/374535745.db2.gz SIJIUSNUUQMFLA-JGVFFNPUSA-N 0 1 293.331 2.133 20 5 CEBDMN O=[N+]([O-])c1ccccc1CN1CCC[C@H](c2nnc[nH]2)C1 ZINC000378008653 375001199 /nfs/dbraw/zinc/00/11/99/375001199.db2.gz XUOHNSCTKKOPDD-LBPRGKRZSA-N 0 1 287.323 2.093 20 5 CEBDMN Cc1[nH]nc(C(=O)N2C[C@H](C)[C@H]3CCCC[C@H]32)c1[N+](=O)[O-] ZINC000408176593 375423144 /nfs/dbraw/zinc/42/31/44/375423144.db2.gz HMWQORURWLXADN-JMJZKYOTSA-N 0 1 292.339 2.277 20 5 CEBDMN Cc1c([C@H](C)N[C@H](C)C(=O)NCCF)cccc1[N+](=O)[O-] ZINC000282851290 375593568 /nfs/dbraw/zinc/59/35/68/375593568.db2.gz UCYJKMHOZWLWLF-WDEREUQCSA-N 0 1 297.330 2.028 20 5 CEBDMN CCN1CCN(Cc2cc([N+](=O)[O-])ccc2OC)[C@H](C)C1 ZINC000286757517 376055431 /nfs/dbraw/zinc/05/54/31/376055431.db2.gz ZEOPROWIXMFPRS-GFCCVEGCSA-N 0 1 293.367 2.129 20 5 CEBDMN CC[C@H](CN(C)Cc1ccccc1[N+](=O)[O-])OC ZINC000419186055 376390576 /nfs/dbraw/zinc/39/05/76/376390576.db2.gz DXDAYLBEDNNSMX-GFCCVEGCSA-N 0 1 252.314 2.452 20 5 CEBDMN C[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2F)[C@@H]1CO ZINC000305744351 376469010 /nfs/dbraw/zinc/46/90/10/376469010.db2.gz UNXSJHBZXZBHDB-QMTHXVAHSA-N 0 1 282.315 2.327 20 5 CEBDMN COc1cc(CN2CCC[C@H](C)[C@@H]2CO)ccc1[N+](=O)[O-] ZINC000305803688 376496767 /nfs/dbraw/zinc/49/67/67/376496767.db2.gz FQEBHCSHSJHOQH-FZMZJTMJSA-N 0 1 294.351 2.196 20 5 CEBDMN COc1cc(CN2CCCC[C@H]2[C@H](C)O)ccc1[N+](=O)[O-] ZINC000305823941 376507275 /nfs/dbraw/zinc/50/72/75/376507275.db2.gz MCFFPXWVCFMXME-AAEUAGOBSA-N 0 1 294.351 2.339 20 5 CEBDMN COc1cc(CN2CCCC[C@@H]2[C@H](C)O)ccc1[N+](=O)[O-] ZINC000305823943 376507377 /nfs/dbraw/zinc/50/73/77/376507377.db2.gz MCFFPXWVCFMXME-WCQYABFASA-N 0 1 294.351 2.339 20 5 CEBDMN COc1ccc([N+](=O)[O-])cc1CN1CCC[C@H](C)[C@@H]1CO ZINC000330439392 377132651 /nfs/dbraw/zinc/13/26/51/377132651.db2.gz ZWZWNKPNELWPOF-FZMZJTMJSA-N 0 1 294.351 2.196 20 5 CEBDMN CC[C@@H]1CCCCN1Cc1c([N+](=O)[O-])ncn1C ZINC000331071495 377269014 /nfs/dbraw/zinc/26/90/14/377269014.db2.gz SNSCGSPGRYUEIX-SNVBAGLBSA-N 0 1 252.318 2.093 20 5 CEBDMN CC(C)[C@H]1CN(C(=O)c2ccccc2[N+](=O)[O-])CCN1C ZINC000331150682 377305420 /nfs/dbraw/zinc/30/54/20/377305420.db2.gz OIJNHBVNEWLGHC-CQSZACIVSA-N 0 1 291.351 2.007 20 5 CEBDMN CC[C@H](F)CN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000331281197 377359141 /nfs/dbraw/zinc/35/91/41/377359141.db2.gz FTCRZVRMWVWOQC-JTQLQIEISA-N 0 1 270.308 2.176 20 5 CEBDMN CCn1cc(CNCc2ccc(OC)c([N+](=O)[O-])c2)cn1 ZINC000264969887 190148941 /nfs/dbraw/zinc/14/89/41/190148941.db2.gz YPGBLVKJJMOKBT-UHFFFAOYSA-N 0 1 290.323 2.110 20 5 CEBDMN CC[C@H](C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1)OC ZINC000565707693 377689125 /nfs/dbraw/zinc/68/91/25/377689125.db2.gz ZRPITEOXLHRJMP-GFCCVEGCSA-N 0 1 264.325 2.378 20 5 CEBDMN CC[C@H](CN1CCc2c(cccc2[N+](=O)[O-])C1)OC ZINC000565707693 377689130 /nfs/dbraw/zinc/68/91/30/377689130.db2.gz ZRPITEOXLHRJMP-GFCCVEGCSA-N 0 1 264.325 2.378 20 5 CEBDMN C[C@H](O)CN(C)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000293713732 377717887 /nfs/dbraw/zinc/71/78/87/377717887.db2.gz XXWHPWURHODUEH-QMMMGPOBSA-N 0 1 292.257 2.426 20 5 CEBDMN Cc1ncc(CN[C@H](C)c2ccc([N+](=O)[O-])cc2)c(=O)[nH]1 ZINC000346801729 218019484 /nfs/dbraw/zinc/01/94/84/218019484.db2.gz CEWXKBWMJIMDKY-SECBINFHSA-N 0 1 288.307 2.250 20 5 CEBDMN C[C@H]1CCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)[C@H]1C(=O)[O-] ZINC000300296857 379161163 /nfs/dbraw/zinc/16/11/63/379161163.db2.gz ZQKHGWXXZGJPRE-SMDDNHRTSA-N 0 1 292.335 2.322 20 5 CEBDMN COc1ccc(CN2CCCC[C@H]2[C@@H](C)O)cc1[N+](=O)[O-] ZINC000303976672 379502015 /nfs/dbraw/zinc/50/20/15/379502015.db2.gz CIPKAQMDJMJNDF-YPMHNXCESA-N 0 1 294.351 2.339 20 5 CEBDMN CC(C)N1CC[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000457088228 379659284 /nfs/dbraw/zinc/65/92/84/379659284.db2.gz QPWMKWDDMYYUFH-SNVBAGLBSA-N 0 1 297.380 2.211 20 5 CEBDMN C[C@H]1C[C@H](C)N1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000525941153 379682411 /nfs/dbraw/zinc/68/24/11/379682411.db2.gz GBBDNGULKAJNRJ-YUMQZZPRSA-N 0 1 274.280 2.094 20 5 CEBDMN CC[C@H]1CN(C)CCN1c1cc(C)ccc1[N+](=O)[O-] ZINC000555241243 380817480 /nfs/dbraw/zinc/81/74/80/380817480.db2.gz JPDUJBYPYJCCLO-LBPRGKRZSA-N 0 1 263.341 2.434 20 5 CEBDMN O=[N+]([O-])c1cc(F)ccc1N1CCC(c2nc[nH]n2)CC1 ZINC000301585194 285095230 /nfs/dbraw/zinc/09/52/30/285095230.db2.gz QXZPDXMKCAICHZ-UHFFFAOYSA-N 0 1 291.286 2.236 20 5 CEBDMN Cc1sc(C(=O)NC[C@H](C)N2CCCC2)cc1[N+](=O)[O-] ZINC000057308209 394562837 /nfs/dbraw/zinc/56/28/37/394562837.db2.gz KQNGZJMDPNXWPC-VIFPVBQESA-N 0 1 297.380 2.179 20 5 CEBDMN CC(C)CN(C/C=C/c1ccccc1[N+](=O)[O-])CC(N)=O ZINC000092011145 394659245 /nfs/dbraw/zinc/65/92/45/394659245.db2.gz HWJYBVROKBPDBB-FNORWQNLSA-N 0 1 291.351 2.051 20 5 CEBDMN C[C@H](c1ccccc1[N+](=O)[O-])N(C)CC[C@H](C)O ZINC000266561556 394667109 /nfs/dbraw/zinc/66/71/09/394667109.db2.gz XTOVIYQZVVQSEC-WDEREUQCSA-N 0 1 252.314 2.359 20 5 CEBDMN Cc1ncccc1NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356800158 394617508 /nfs/dbraw/zinc/61/75/08/394617508.db2.gz FFGUDRJQIPZVFC-UHFFFAOYSA-N 0 1 273.248 2.256 20 5 CEBDMN C[C@H]1CCCC[C@@H]1N(C)Cc1c([N+](=O)[O-])ncn1C ZINC000331075348 394627943 /nfs/dbraw/zinc/62/79/43/394627943.db2.gz UWBQWKPJSGFJIV-QWRGUYRKSA-N 0 1 266.345 2.339 20 5 CEBDMN CCSCCCNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000282025365 394898637 /nfs/dbraw/zinc/89/86/37/394898637.db2.gz JVAGIKCEKYYDNJ-UHFFFAOYSA-N 0 1 284.337 2.173 20 5 CEBDMN C[C@@H]1[C@H](C)CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)[C@H]1C ZINC000416316681 395054286 /nfs/dbraw/zinc/05/42/86/395054286.db2.gz HOFBOJHYFYHQBY-BBBLOLIVSA-N 0 1 278.308 2.417 20 5 CEBDMN C[C@H]1C[C@H](CO)CN(Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000398814790 395237478 /nfs/dbraw/zinc/23/74/78/395237478.db2.gz QNBZNZWYGSJPCR-QWRGUYRKSA-N 0 1 282.315 2.184 20 5 CEBDMN O=[N+]([O-])c1cnc(N[C@@H]2CCCc3cn[nH]c32)c(F)c1 ZINC000518722101 395191885 /nfs/dbraw/zinc/19/18/85/395191885.db2.gz PFAINVKSTMRBPC-SNVBAGLBSA-N 0 1 277.259 2.342 20 5 CEBDMN CN(Cc1nc2cc([N+](=O)[O-])ccc2o1)CC(C)(C)CO ZINC000295197235 395287985 /nfs/dbraw/zinc/28/79/85/395287985.db2.gz KGPIWKCWXMXSMI-UHFFFAOYSA-N 0 1 293.323 2.186 20 5 CEBDMN Cc1ccc(C(=O)N2CCN(C)CC[C@H]2C)cc1[N+](=O)[O-] ZINC000354020760 395313116 /nfs/dbraw/zinc/31/31/16/395313116.db2.gz UJPZJWNYVYCXEM-GFCCVEGCSA-N 0 1 291.351 2.069 20 5 CEBDMN CCc1[nH]nc(C(=O)N2C[C@H](C)C[C@H](C)[C@@H]2C)c1[N+](=O)[O-] ZINC000444411376 395430884 /nfs/dbraw/zinc/43/08/84/395430884.db2.gz MFZKSORZTLGUFG-UTLUCORTSA-N 0 1 294.355 2.387 20 5 CEBDMN CO[C@@H]1COC[C@H]1NCc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000573681917 395614901 /nfs/dbraw/zinc/61/49/01/395614901.db2.gz CIKLFTWMVMYGBK-UKRRQHHQSA-N 0 1 294.351 2.222 20 5 CEBDMN CC[C@@H]1[C@H](CO)CCN1Cc1csc([N+](=O)[O-])c1 ZINC000449431855 395548188 /nfs/dbraw/zinc/54/81/88/395548188.db2.gz ZJBRJZMCDGLMDA-WDEREUQCSA-N 0 1 270.354 2.249 20 5 CEBDMN CO[C@@H]1CC[N@@H+](Cc2cc([O-])ccc2[N+](=O)[O-])C[C@@H]1C ZINC000449497098 395551278 /nfs/dbraw/zinc/55/12/78/395551278.db2.gz KEARXLUWKPBNHQ-IINYFYTJSA-N 0 1 280.324 2.157 20 5 CEBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@H]1c1cccs1 ZINC000360164143 155233744 /nfs/dbraw/zinc/23/37/44/155233744.db2.gz GCXNSSYTRAQEMQ-KXUCPTDWSA-N 0 1 266.322 2.077 20 5 CEBDMN COc1ccc([N+](=O)[O-])cc1CN1CC[C@H](CO)C[C@H]1C ZINC000344183845 154277067 /nfs/dbraw/zinc/27/70/67/154277067.db2.gz UMRNWXFRLGCBRT-NEPJUHHUSA-N 0 1 294.351 2.196 20 5 CEBDMN Cc1cc(C)cc([C@@H]2CCN(C(=O)[C@H]3CC3[N+](=O)[O-])C2)c1 ZINC000368250026 156313094 /nfs/dbraw/zinc/31/30/94/156313094.db2.gz AYFZIKHEBKRNLM-SNPRPXQTSA-N 0 1 288.347 2.285 20 5 CEBDMN O=[N+]([O-])c1ccc(CN2CCCC[C@H](CO)C2)cc1F ZINC000374857152 157020438 /nfs/dbraw/zinc/02/04/38/157020438.db2.gz AFJIKASLPYBCRW-LBPRGKRZSA-N 0 1 282.315 2.328 20 5 CEBDMN CC[C@@H](C)N(C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000170915819 162373980 /nfs/dbraw/zinc/37/39/80/162373980.db2.gz BUXIGLPEWVPZPX-LLVKDONJSA-N 0 1 279.340 2.288 20 5 CEBDMN COc1ccc(CNCc2cccnc2)cc1[N+](=O)[O-] ZINC000022146300 171356668 /nfs/dbraw/zinc/35/66/68/171356668.db2.gz CWILDNUIFQPJSV-UHFFFAOYSA-N 0 1 273.292 2.288 20 5 CEBDMN CC(C)[C@@H](N)c1noc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000041123348 174488112 /nfs/dbraw/zinc/48/81/12/174488112.db2.gz QUIPWOOIGMDPGS-SNVBAGLBSA-N 0 1 262.269 2.301 20 5 CEBDMN CO[C@@H](CN(C)Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000425379040 264216969 /nfs/dbraw/zinc/21/69/69/264216969.db2.gz AIMPFMSPLVNDNG-AWEZNQCLSA-N 0 1 264.325 2.452 20 5 CEBDMN CC1(C)C[C@H](NC(=O)[C@H]2CC2[N+](=O)[O-])c2ccccc2O1 ZINC000372016465 278385889 /nfs/dbraw/zinc/38/58/89/278385889.db2.gz FNUZUDLCIKGWSE-SDDRHHMPSA-N 0 1 290.319 2.070 20 5 CEBDMN O=C([O-])[C@@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000003756176 280071155 /nfs/dbraw/zinc/07/11/55/280071155.db2.gz JSMQXKIDAJNTOW-LBPRGKRZSA-N 0 1 264.281 2.034 20 5 CEBDMN Cc1cc(C)c([N+](=O)[O-])c(N2CCN(C)[C@@H](C)[C@@H]2C)n1 ZINC000359095872 280398852 /nfs/dbraw/zinc/39/88/52/280398852.db2.gz KKLJFUTYOIMMAU-RYUDHWBXSA-N 0 1 278.356 2.135 20 5 CEBDMN CC[C@@H]1OCC[C@H]1NCc1cc([N+](=O)[O-])ccc1OC ZINC000459805855 290246372 /nfs/dbraw/zinc/24/63/72/290246372.db2.gz QDXMJWAYONQJRW-OLZOCXBDSA-N 0 1 280.324 2.261 20 5 CEBDMN CN(Cc1csc([N+](=O)[O-])c1)C1CCOCC1 ZINC000531104514 298093843 /nfs/dbraw/zinc/09/38/43/298093843.db2.gz QQHFHMDJBRYKBG-UHFFFAOYSA-N 0 1 256.327 2.267 20 5 CEBDMN C[C@H](O)CCCN1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000354804605 534055063 /nfs/dbraw/zinc/05/50/63/534055063.db2.gz HHZTUSCMQYWJEP-NSHDSACASA-N 0 1 264.325 2.114 20 5 CEBDMN CC(C)C[C@H](N)c1noc(-c2cccc([N+](=O)[O-])c2N)n1 ZINC000339399182 519370986 /nfs/dbraw/zinc/37/09/86/519370986.db2.gz YIXRLCBKLXOOBQ-VIFPVBQESA-N 0 1 291.311 2.273 20 5 CEBDMN C[C@@H]1CN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])C[C@H](C)N1 ZINC000070076464 524849945 /nfs/dbraw/zinc/84/99/45/524849945.db2.gz YBRRDPBXTCNHMN-DTORHVGOSA-N 0 1 297.742 2.071 20 5 CEBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@H]1c1ccc(F)c(F)c1 ZINC000363403346 526500359 /nfs/dbraw/zinc/50/03/59/526500359.db2.gz AODLABMPBHFQIP-ICCXJUOJSA-N 0 1 296.273 2.294 20 5 CEBDMN O=[N+]([O-])c1ccc(F)cc1N1CCC[C@@H](c2nc[nH]n2)C1 ZINC000365106511 527356580 /nfs/dbraw/zinc/35/65/80/527356580.db2.gz DAUUXLWLXCEPRR-SECBINFHSA-N 0 1 291.286 2.236 20 5 CEBDMN C[C@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2)CC[C@H]1NC(=O)[O-] ZINC000739191557 574898932 /nfs/dbraw/zinc/89/89/32/574898932.db2.gz PNRNDEQDRNTUQS-GXFFZTMASA-N 0 1 293.323 2.073 20 5 CEBDMN CN(C)c1cccc(COC(=O)c2ccc([N+](=O)[O-])[nH]2)c1 ZINC000744182215 575116141 /nfs/dbraw/zinc/11/61/41/575116141.db2.gz QODMUJMAVGZGNE-UHFFFAOYSA-N 0 1 289.291 2.346 20 5 CEBDMN CO[C@]1(C)C[C@H](OC(=O)c2ccc([N+](=O)[O-])[nH]2)C1(C)C ZINC000747330242 575169481 /nfs/dbraw/zinc/16/94/81/575169481.db2.gz MSWBUKQMYXDOGN-TVQRCGJNSA-N 0 1 282.296 2.283 20 5 CEBDMN C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@](F)(C(=O)[O-])C1 ZINC000827942080 601438321 /nfs/dbraw/zinc/43/83/21/601438321.db2.gz OTOUYLCRFIJEID-TVQRCGJNSA-N 0 1 282.271 2.154 20 5 CEBDMN C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@](F)(C(=O)[O-])C1 ZINC000827942080 601438322 /nfs/dbraw/zinc/43/83/22/601438322.db2.gz OTOUYLCRFIJEID-TVQRCGJNSA-N 0 1 282.271 2.154 20 5 CEBDMN O=[N+]([O-])c1ccc(O)cc1CN1CCn2cccc2C1 ZINC000932527109 622943793 /nfs/dbraw/zinc/94/37/93/622943793.db2.gz XCZMADBERBWVMN-UHFFFAOYSA-N 0 1 273.292 2.118 20 5 CEBDMN CCCN(C)Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000891577343 623799402 /nfs/dbraw/zinc/79/94/02/623799402.db2.gz CHQJIWWCEZLYOC-UHFFFAOYSA-N 0 1 254.286 2.151 20 5 CEBDMN CO[C@H]1CC[C@@H]1N(C)Cc1ccccc1[N+](=O)[O-] ZINC000934112666 624233706 /nfs/dbraw/zinc/23/37/06/624233706.db2.gz VCDKTRVRKCUZCF-STQMWFEESA-N 0 1 250.298 2.204 20 5 CEBDMN COc1cc(Cl)c(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1C ZINC000840458607 634674385 /nfs/dbraw/zinc/67/43/85/634674385.db2.gz DDWMZNQHWXODDE-GMSGAONNSA-N 0 1 284.699 2.261 20 5 CEBDMN CN1C[C@H]2CCN(c3c(F)cc([N+](=O)[O-])cc3F)[C@H]2C1 ZINC000893941581 629056467 /nfs/dbraw/zinc/05/64/67/629056467.db2.gz UZPQLUIHDODVNU-PELKAZGASA-N 0 1 283.278 2.013 20 5 CEBDMN C[C@H]1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000894302215 629321783 /nfs/dbraw/zinc/32/17/83/629321783.db2.gz ZNLYYHMTJKTKMQ-ASEORRQLSA-N 0 1 274.320 2.261 20 5 CEBDMN Cc1cc(C)cc(OCCCOC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC000840673408 629356128 /nfs/dbraw/zinc/35/61/28/629356128.db2.gz YLWZTXCULJTBJQ-ZIAGYGMSSA-N 0 1 293.319 2.281 20 5 CEBDMN COCC(C)(C)N(C)Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000894591196 629543789 /nfs/dbraw/zinc/54/37/89/629543789.db2.gz KXNKIIOJFKRXOB-UHFFFAOYSA-N 0 1 298.339 2.166 20 5 CEBDMN CCOCC(C)(C)NCc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000894616281 629560875 /nfs/dbraw/zinc/56/08/75/629560875.db2.gz QVPOLLFQDDGMNK-UHFFFAOYSA-N 0 1 298.339 2.214 20 5 CEBDMN C[C@@]1(O)C[C@H](NCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000894956893 629767324 /nfs/dbraw/zinc/76/73/24/629767324.db2.gz XVOHJGPPVBPVHM-KLPPZKSPSA-N 0 1 270.716 2.251 20 5 CEBDMN COC(=O)/C(C)=C\CN(C)CCc1ccccc1[N+](=O)[O-] ZINC000796112906 629773815 /nfs/dbraw/zinc/77/38/15/629773815.db2.gz JYOAYBNDSWRTRM-WQLSENKSSA-N 0 1 292.335 2.188 20 5 CEBDMN C[N@H+]1CCN(c2cccnc2[N+](=O)[O-])C[C@H]1C(C)(C)C ZINC000895102543 629899505 /nfs/dbraw/zinc/89/95/05/629899505.db2.gz XJRUAQZLSKJMGX-LBPRGKRZSA-N 0 1 278.356 2.156 20 5 CEBDMN CN1CCN(c2cccnc2[N+](=O)[O-])C[C@H]1C(C)(C)C ZINC000895102543 629899509 /nfs/dbraw/zinc/89/95/09/629899509.db2.gz XJRUAQZLSKJMGX-LBPRGKRZSA-N 0 1 278.356 2.156 20 5 CEBDMN CC[C@@H](CNCc1ccc([N+](=O)[O-])cc1F)C(=O)OC ZINC000895122050 629924792 /nfs/dbraw/zinc/92/47/92/629924792.db2.gz JUWXQUUNZPYUSF-VIFPVBQESA-N 0 1 284.287 2.023 20 5 CEBDMN Cc1n[nH]c(C2CN(c3cc(C)c([N+](=O)[O-])cc3F)C2)n1 ZINC000895330033 630118909 /nfs/dbraw/zinc/11/89/09/630118909.db2.gz RVWZWSBOLQEJTK-UHFFFAOYSA-N 0 1 291.286 2.073 20 5 CEBDMN Cc1nc(C2CN(c3cc(C)c([N+](=O)[O-])cc3F)C2)n[nH]1 ZINC000895330033 630118913 /nfs/dbraw/zinc/11/89/13/630118913.db2.gz RVWZWSBOLQEJTK-UHFFFAOYSA-N 0 1 291.286 2.073 20 5 CEBDMN CS[C@H](C)[C@H](C)OC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000797208908 630174697 /nfs/dbraw/zinc/17/46/97/630174697.db2.gz KRGXSZGSTHNRCX-NKWVEPMBSA-N 0 1 258.299 2.220 20 5 CEBDMN COCC1CN(Cc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000895976279 630419327 /nfs/dbraw/zinc/41/93/27/630419327.db2.gz NGRRMTCFSMXJLE-UHFFFAOYSA-N 0 1 264.325 2.290 20 5 CEBDMN Cc1cc(N2CCN(C)C[C@@H]2CC(C)C)ncc1[N+](=O)[O-] ZINC000896651855 630625593 /nfs/dbraw/zinc/62/55/93/630625593.db2.gz YZVZMKRDCCRZAN-ZDUSSCGKSA-N 0 1 292.383 2.465 20 5 CEBDMN CC[C@@H](CO)N[C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872017272 631225989 /nfs/dbraw/zinc/22/59/89/631225989.db2.gz YAZVFJRXDNHTAE-IUCAKERBSA-N 0 1 256.277 2.155 20 5 CEBDMN Cc1nc([C@@H](C)OC(=O)c2ccc([N+](=O)[O-])cc2F)n[nH]1 ZINC000840214268 632298100 /nfs/dbraw/zinc/29/81/00/632298100.db2.gz FSXYYVJXESBCSS-ZCFIWIBFSA-N 0 1 294.242 2.078 20 5 CEBDMN CCN(C[C@@H](C)OC)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000812303385 632505554 /nfs/dbraw/zinc/50/55/54/632505554.db2.gz PWOZBBUBXJQEEM-LLVKDONJSA-N 0 1 292.339 2.259 20 5 CEBDMN C[C@@H](C(=O)NOC1CCC1)c1ccc([N+](=O)[O-])cc1F ZINC000812792435 632581560 /nfs/dbraw/zinc/58/15/60/632581560.db2.gz ZYQAIZGHQBDEEW-MRVPVSSYSA-N 0 1 282.271 2.438 20 5 CEBDMN CC(C)(C)c1nc(CNc2cc(N)ccc2[N+](=O)[O-])n[nH]1 ZINC000840334110 633584147 /nfs/dbraw/zinc/58/41/47/633584147.db2.gz BMPFIGPGMVWKQY-UHFFFAOYSA-N 0 1 290.327 2.205 20 5 CEBDMN O=C([O-])[C@@]1(F)CC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000901513774 634170764 /nfs/dbraw/zinc/17/07/64/634170764.db2.gz DPEKGLCMPMXDHO-PKXJPQMGSA-N 0 1 294.282 2.107 20 5 CEBDMN O=C([O-])[C@@]1(F)CC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000901513774 634170765 /nfs/dbraw/zinc/17/07/65/634170765.db2.gz DPEKGLCMPMXDHO-PKXJPQMGSA-N 0 1 294.282 2.107 20 5 CEBDMN Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CC[C@@](F)(C(=O)[O-])C1 ZINC000901518880 634174162 /nfs/dbraw/zinc/17/41/62/634174162.db2.gz NLKNSYLXIUBJTP-AWEZNQCLSA-N 0 1 296.298 2.210 20 5 CEBDMN Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CC[C@@](F)(C(=O)[O-])C1 ZINC000901518880 634174167 /nfs/dbraw/zinc/17/41/67/634174167.db2.gz NLKNSYLXIUBJTP-AWEZNQCLSA-N 0 1 296.298 2.210 20 5 CEBDMN CN1C[C@@H]2CCCN(c3c(F)cc([N+](=O)[O-])cc3F)[C@@H]2C1 ZINC000819953138 634297129 /nfs/dbraw/zinc/29/71/29/634297129.db2.gz JZHLPEHBNNTSAB-TVQRCGJNSA-N 0 1 297.305 2.403 20 5 CEBDMN C[C@@](Cc1ccccc1)(NC(=O)[C@@H]1CC1[N+](=O)[O-])C1CC1 ZINC000840474728 635020543 /nfs/dbraw/zinc/02/05/43/635020543.db2.gz LVYNIAVHZUMVMF-FMKPAKJESA-N 0 1 288.347 2.179 20 5 CEBDMN C[C@H](N[C@@H]1COC[C@@H]1C)c1c(F)cccc1[N+](=O)[O-] ZINC000903392978 635089191 /nfs/dbraw/zinc/08/91/91/635089191.db2.gz CMJVVUVBAYVVHH-ATZCPNFKSA-N 0 1 268.288 2.419 20 5 CEBDMN CCN1CCC[C@@H](N[C@@H](C)c2cccc([N+](=O)[O-])c2)C1=O ZINC000903393991 635089995 /nfs/dbraw/zinc/08/99/95/635089995.db2.gz WWKZRTSVQSASDP-SMDDNHRTSA-N 0 1 291.351 2.256 20 5 CEBDMN Cn1nc(C2CC2)cc1CNCc1cccc([N+](=O)[O-])c1 ZINC000823709019 635260278 /nfs/dbraw/zinc/26/02/78/635260278.db2.gz GWONHKAVXYQVDI-UHFFFAOYSA-N 0 1 286.335 2.496 20 5 CEBDMN O=C([O-])[C@@H]1C[C@H]1C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000903887254 635314932 /nfs/dbraw/zinc/31/49/32/635314932.db2.gz OIFHAJUQTZADCO-SMDDNHRTSA-N 0 1 290.319 2.280 20 5 CEBDMN Cc1cnc(CNC[C@H](O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000824080706 635342314 /nfs/dbraw/zinc/34/23/14/635342314.db2.gz JKVQUMSMFNJSBE-LBPRGKRZSA-N 0 1 293.348 2.183 20 5 CEBDMN O=[N+]([O-])CCNC/C=C\c1ccc(Br)cc1 ZINC000905273489 636201950 /nfs/dbraw/zinc/20/19/50/636201950.db2.gz PQLRELIWDBVSIT-UPHRSURJSA-N 0 1 285.141 2.329 20 5 CEBDMN CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](C)C[C@@H](C)C(=O)[O-] ZINC000830094634 636981082 /nfs/dbraw/zinc/98/10/82/636981082.db2.gz SNXOZXLSDZYXIN-SNVBAGLBSA-N 0 1 296.323 2.146 20 5 CEBDMN O=C(NCc1ccc(C(F)(F)F)s1)[C@@H]1CC1[N+](=O)[O-] ZINC000834344684 637787334 /nfs/dbraw/zinc/78/73/34/637787334.db2.gz AHQGTWBQLLDIAO-RNFRBKRXSA-N 0 1 294.254 2.048 20 5 CEBDMN CC[C@@H](C)[C@H](COC(=O)c1ccc([N+](=O)[O-])[nH]1)OC ZINC000835636830 638338127 /nfs/dbraw/zinc/33/81/27/638338127.db2.gz ZTDBOVOPVAEFAX-SCZZXKLOSA-N 0 1 270.285 2.141 20 5 CEBDMN CCN(Cn1ncc2cc([N+](=O)[O-])ccc21)C1CC1 ZINC000044558657 639341120 /nfs/dbraw/zinc/34/11/20/639341120.db2.gz FOWCSHDRJGFFPK-UHFFFAOYSA-N 0 1 260.297 2.386 20 5 CEBDMN CCCNC(=O)CCNCc1cc([N+](=O)[O-])ccc1Cl ZINC000045072536 639386981 /nfs/dbraw/zinc/38/69/81/639386981.db2.gz JDEZDHCFFFIFFS-UHFFFAOYSA-N 0 1 299.758 2.254 20 5 CEBDMN CO[C@@H](C)CNCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000224191747 639443196 /nfs/dbraw/zinc/44/31/96/639443196.db2.gz YNNGFHQQZZYOEF-QMMMGPOBSA-N 0 1 258.705 2.373 20 5 CEBDMN O=C(OCC1CCC(F)(F)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC000840674853 639520912 /nfs/dbraw/zinc/52/09/12/639520912.db2.gz PYKXYKVFOOEKLC-RKDXNWHRSA-N 0 1 263.240 2.020 20 5 CEBDMN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])[C@H]1CCC[C@@H]1C(C)(C)C ZINC000841451986 639766018 /nfs/dbraw/zinc/76/60/18/639766018.db2.gz CHZGOFOHZYXSJV-NOOOWODRSA-N 0 1 268.357 2.325 20 5 CEBDMN C[C@H](COC(=O)c1ccc([N+](=O)[O-])[nH]1)CC(F)F ZINC000842439781 640059063 /nfs/dbraw/zinc/05/90/63/640059063.db2.gz SIOKDNHXAWIENA-LURJTMIESA-N 0 1 262.212 2.371 20 5 CEBDMN CC(C)[C@@H](N)c1noc(COc2cccc([N+](=O)[O-])c2)n1 ZINC000843147627 640305358 /nfs/dbraw/zinc/30/53/58/640305358.db2.gz CTJDHHZETUFRAC-GFCCVEGCSA-N 0 1 292.295 2.213 20 5 CEBDMN COCCc1ccc(OC(=O)c2ccc([N+](=O)[O-])[nH]2)cc1 ZINC000916855625 640825143 /nfs/dbraw/zinc/82/51/43/640825143.db2.gz BQLKPTXBKXOYAO-UHFFFAOYSA-N 0 1 290.275 2.331 20 5 CEBDMN O=C(OCc1ccccc1F)c1ccc([N+](=O)[O-])[nH]1 ZINC000918488038 640960904 /nfs/dbraw/zinc/96/09/04/640960904.db2.gz APYFLGYZWRRULO-UHFFFAOYSA-N 0 1 264.212 2.419 20 5 CEBDMN COc1ccc(COC(=O)c2ccc([N+](=O)[O-])[nH]2)cc1 ZINC000918490109 640961012 /nfs/dbraw/zinc/96/10/12/640961012.db2.gz MWCJGIJKYLQCQD-UHFFFAOYSA-N 0 1 276.248 2.289 20 5 CEBDMN O=C(O[C@H]1CCCC12CCCC2)[C@@H]1CC1[N+](=O)[O-] ZINC000845732223 641063128 /nfs/dbraw/zinc/06/31/28/641063128.db2.gz ZFWHKACWXOIBTG-MXWKQRLJSA-N 0 1 253.298 2.308 20 5 CEBDMN CCc1nc([C@@H](C)OC(=O)c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000849670531 642395118 /nfs/dbraw/zinc/39/51/18/642395118.db2.gz WHHFWAWLMGWBMI-MRVPVSSYSA-N 0 1 290.279 2.193 20 5 CEBDMN COc1cc(CN[C@@H]2C=CCC2)c([N+](=O)[O-])cc1O ZINC000850358567 642680921 /nfs/dbraw/zinc/68/09/21/642680921.db2.gz SBHZVNANEUMKKL-SNVBAGLBSA-N 0 1 264.281 2.117 20 5 CEBDMN O=C1CC[C@H](CN(Cc2cccc([N+](=O)[O-])c2)C2CC2)O1 ZINC000851816585 643179444 /nfs/dbraw/zinc/17/94/44/643179444.db2.gz KOUQVJSCCQNUDT-CQSZACIVSA-N 0 1 290.319 2.265 20 5 CEBDMN C[C@@H]1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])[C@@H]2CCCC[C@H]12 ZINC000839699315 644777348 /nfs/dbraw/zinc/77/73/48/644777348.db2.gz VQWHGSIYVRTXOW-SYLRKERUSA-N 0 1 266.341 2.079 20 5 CEBDMN COC(=O)CCCCN1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000859208476 645419588 /nfs/dbraw/zinc/41/95/88/645419588.db2.gz OHUXKGDAOFOAQV-UHFFFAOYSA-N 0 1 292.335 2.296 20 5 CEBDMN Cc1noc(CNC2(C3CC3)CCC2)c1[N+](=O)[O-] ZINC000887148668 645545359 /nfs/dbraw/zinc/54/53/59/645545359.db2.gz OSCCHYIJOGPEHM-UHFFFAOYSA-N 0 1 251.286 2.314 20 5 CEBDMN O=[N+]([O-])c1ccc(CN[C@@H](CO)CC(F)F)cc1Cl ZINC000763540931 645555977 /nfs/dbraw/zinc/55/59/77/645555977.db2.gz MJBYCYRLSVMEHI-MRVPVSSYSA-N 0 1 294.685 2.354 20 5 CEBDMN CCC(C)(C)[C@H](O)C(=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000859767122 645597818 /nfs/dbraw/zinc/59/78/18/645597818.db2.gz SCUGQNHCGXYRBN-GFCCVEGCSA-N 0 1 297.307 2.141 20 5 CEBDMN Cc1ccc([C@H](C)NC(=O)c2n[nH]cc2[N+](=O)[O-])s1 ZINC000763984724 645598022 /nfs/dbraw/zinc/59/80/22/645598022.db2.gz WLBREHYFAQEWLR-ZETCQYMHSA-N 0 1 280.309 2.179 20 5 CEBDMN CCOC(=O)C1=CC[C@@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC000862487527 646478193 /nfs/dbraw/zinc/47/81/93/646478193.db2.gz SBBUEXJUJGQDFD-CYBMUJFWSA-N 0 1 290.319 2.336 20 5 CEBDMN O=C(O[C@H]1C[C@@H](c2ccc(F)cc2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000870522844 648832632 /nfs/dbraw/zinc/83/26/32/648832632.db2.gz KJLXEJWORIHMFV-GWNIPJSYSA-N 0 1 279.267 2.280 20 5 CEBDMN COCCCN[C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872016110 649241908 /nfs/dbraw/zinc/24/19/08/649241908.db2.gz FAUCQMVQDWHCMJ-SECBINFHSA-N 0 1 256.277 2.421 20 5 CEBDMN Cc1c(CN[C@@H](C)[C@@H](O)C(F)(F)F)cccc1[N+](=O)[O-] ZINC000873151525 649571265 /nfs/dbraw/zinc/57/12/65/649571265.db2.gz XPFNCALTFFAGOA-GZMMTYOYSA-N 0 1 292.257 2.305 20 5 CEBDMN C[C@@H](OC(=O)c1ccc([N+](=O)[O-])[nH]1)[C@@H]1CC12CC2 ZINC000873628547 649714755 /nfs/dbraw/zinc/71/47/55/649714755.db2.gz NDVRIJRVTRLMDU-SFYZADRCSA-N 0 1 250.254 2.268 20 5 CEBDMN O=[N+]([O-])c1ccc([O-])cc1C[N@H+]1CC[C@H](CF)C1 ZINC000880298993 651419436 /nfs/dbraw/zinc/41/94/36/651419436.db2.gz MVQXOUSEEJNCMI-SECBINFHSA-N 0 1 254.261 2.092 20 5 CEBDMN CCC(=O)NCCN(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC001267320833 803365737 /nfs/dbraw/zinc/36/57/37/803365737.db2.gz XXYCGLMVVXDIJU-UHFFFAOYSA-N 0 1 291.351 2.085 20 5 CEBDMN CN1CC[C@H]1CNc1nccc2ccc([N+](=O)[O-])cc21 ZINC000712589830 814755245 /nfs/dbraw/zinc/75/52/45/814755245.db2.gz ACCOGHZPQHFFEJ-LBPRGKRZSA-N 0 1 272.308 2.259 20 5 CEBDMN CC[C@H]1CCCC[C@@H]1N(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001127095289 807019615 /nfs/dbraw/zinc/01/96/15/807019615.db2.gz IFRCOIFPHJZMBB-WHOHXGKFSA-N 0 1 254.330 2.079 20 5 CEBDMN Cc1nc(C)n(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)c1C ZINC001119559705 815130853 /nfs/dbraw/zinc/13/08/53/815130853.db2.gz ICWAMDHXVSSDFF-CQSZACIVSA-N 0 1 275.308 2.450 20 5 CEBDMN C[C@H]1COC[C@H]1NCc1cc([N+](=O)[O-])ccc1Cl ZINC000699841830 807869192 /nfs/dbraw/zinc/86/91/92/807869192.db2.gz AAHWCTQLWHCMRU-QPUJVOFHSA-N 0 1 270.716 2.373 20 5 CEBDMN Cc1nc(-c2ccccc2)sc1CNCC[N+](=O)[O-] ZINC001120563796 815238280 /nfs/dbraw/zinc/23/82/80/815238280.db2.gz VSMLTMIRRAZTNW-UHFFFAOYSA-N 0 1 277.349 2.485 20 5 CEBDMN C[C@@H]1CCN(Cc2ccc([N+](=O)[O-])c(F)c2)C[C@@H]1CO ZINC000700415270 809309441 /nfs/dbraw/zinc/30/94/41/809309441.db2.gz NBAAQBIRIPHYDW-ZYHUDNBSSA-N 0 1 282.315 2.184 20 5 CEBDMN CCN1CC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000712335478 811193326 /nfs/dbraw/zinc/19/33/26/811193326.db2.gz KKVGJAJFNNASBA-JTQLQIEISA-N 0 1 297.742 2.072 20 5 CEBDMN O=[N+]([O-])C[C@@H]1CC[C@@H](N2CC(OCc3ccccc3)C2)C1 ZINC001169027469 811339330 /nfs/dbraw/zinc/33/93/30/811339330.db2.gz QBENRFGDJNUXJU-HUUCEWRRSA-N 0 1 290.363 2.333 20 5 CEBDMN COc1ccc(C[C@@H](C)N2CCCOCC2)c([N+](=O)[O-])c1 ZINC001170330338 812388663 /nfs/dbraw/zinc/38/86/63/812388663.db2.gz ZLIRIZWIPUEQRB-GFCCVEGCSA-N 0 1 294.351 2.257 20 5 CEBDMN COc1ccc(C[C@H](C)N2CCCOCC2)c([N+](=O)[O-])c1 ZINC001170330339 812389446 /nfs/dbraw/zinc/38/94/46/812389446.db2.gz ZLIRIZWIPUEQRB-LBPRGKRZSA-N 0 1 294.351 2.257 20 5 CEBDMN CN1CCN(c2ncc([N+](=O)[O-])cc2F)C2(CCCC2)C1 ZINC001158408958 812690072 /nfs/dbraw/zinc/69/00/72/812690072.db2.gz UBFXXRFUUSCFOI-UHFFFAOYSA-N 0 1 294.330 2.194 20 5 CEBDMN Cc1cc(NC(=O)C2(N(C)C)CCC2)cc([N+](=O)[O-])c1 ZINC001124126063 815601146 /nfs/dbraw/zinc/60/11/46/815601146.db2.gz BYMSFYSPROWHEU-UHFFFAOYSA-N 0 1 277.324 2.326 20 5 CEBDMN CCN1CC[C@@H]1CNc1cccc(OC)c1[N+](=O)[O-] ZINC000712543640 814764740 /nfs/dbraw/zinc/76/47/40/814764740.db2.gz RMMIJYXYJYNQDX-SNVBAGLBSA-N 0 1 265.313 2.110 20 5 CEBDMN Cc1ccc(C[N@H+](C)[C@H]2C[C@@H](C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000714020785 814882087 /nfs/dbraw/zinc/88/20/87/814882087.db2.gz XXVILUQWDZUDCA-TXEJJXNPSA-N 0 1 278.308 2.198 20 5 CEBDMN CCn1cc(Nc2nc3sccn3c2[N+](=O)[O-])cn1 ZINC000035781363 361823507 /nfs/dbraw/zinc/82/35/07/361823507.db2.gz CRMBBGNNWTURFR-UHFFFAOYSA-N 0 1 278.297 2.264 20 5 CEBDMN CCOCCNCc1cc([N+](=O)[O-])ccc1Cl ZINC000036228858 361835986 /nfs/dbraw/zinc/83/59/86/361835986.db2.gz OGGZBPUGLSVBHQ-UHFFFAOYSA-N 0 1 258.705 2.374 20 5 CEBDMN Cc1cc([N+](=O)[O-])ccc1NC[C@H](C)CN1CCOCC1 ZINC000080646305 344018371 /nfs/dbraw/zinc/01/83/71/344018371.db2.gz HQGZDRHEWFMBEB-LBPRGKRZSA-N 0 1 293.367 2.283 20 5 CEBDMN COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H]1CC(=O)[O-] ZINC000042163188 362064238 /nfs/dbraw/zinc/06/42/38/362064238.db2.gz SYWSVIKBEUMPSQ-NSHDSACASA-N 0 1 294.307 2.043 20 5 CEBDMN Cc1ccc([N+](=O)[O-])cc1-n1[nH]c2c(c1=O)CSCC2 ZINC000601936867 346933154 /nfs/dbraw/zinc/93/31/54/346933154.db2.gz WMBQKXLHGQTCKK-SNVBAGLBSA-N 0 1 291.332 2.359 20 5 CEBDMN COc1ccc([C@@H]2CCCN2C(=O)[C@H]2CC2[N+](=O)[O-])cc1 ZINC000046914785 343507176 /nfs/dbraw/zinc/50/71/76/343507176.db2.gz DZWOHHCYWWNDIY-IHRRRGAJSA-N 0 1 290.319 2.024 20 5 CEBDMN O=[N+]([O-])c1c(F)cccc1N1CCC(c2nc[nH]n2)CC1 ZINC000081039912 344036819 /nfs/dbraw/zinc/03/68/19/344036819.db2.gz SQNJKZAWMIFHKA-UHFFFAOYSA-N 0 1 291.286 2.236 20 5 CEBDMN C[C@@H](NC(=O)[C@@H]1CCCCN1C)c1cccc([N+](=O)[O-])c1 ZINC000602070031 346968830 /nfs/dbraw/zinc/96/88/30/346968830.db2.gz HCVUGFRQNZLCBX-RISCZKNCSA-N 0 1 291.351 2.256 20 5 CEBDMN CCCCN(C)C(=O)c1n[nH]c(CCC)c1[N+](=O)[O-] ZINC000069154716 343781884 /nfs/dbraw/zinc/78/18/84/343781884.db2.gz TVJBNDVRFMNFLF-UHFFFAOYSA-N 0 1 268.317 2.143 20 5 CEBDMN C[C@H](C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)N(C)C ZINC000602133162 346980624 /nfs/dbraw/zinc/98/06/24/346980624.db2.gz OUMPBZNAHBSKQF-LLVKDONJSA-N 0 1 291.351 2.036 20 5 CEBDMN C[C@H](NC(=O)[C@@H]1CCCCN1C)c1ccccc1[N+](=O)[O-] ZINC000602133269 346980709 /nfs/dbraw/zinc/98/07/09/346980709.db2.gz QXYGZKIREHKFGO-FZMZJTMJSA-N 0 1 291.351 2.256 20 5 CEBDMN CCOC(=O)[C@H]1CCCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000048580785 362287198 /nfs/dbraw/zinc/28/71/98/362287198.db2.gz NRQGUXNHMJQWJR-ZDUSSCGKSA-N 0 1 292.335 2.370 20 5 CEBDMN C[C@H](O)[C@H]1CCCC[N@H+]1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000092971219 344209020 /nfs/dbraw/zinc/20/90/20/344209020.db2.gz XNKLHRDFQMYZOM-GXFFZTMASA-N 0 1 280.324 2.036 20 5 CEBDMN C[C@H](O)C[C@@H]1CCC[N@H+]1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000093482060 344225361 /nfs/dbraw/zinc/22/53/61/344225361.db2.gz ZQABMDDBNVOEGN-JQWIXIFHSA-N 0 1 280.324 2.036 20 5 CEBDMN CSCC[N@H+](C)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000093509379 344225964 /nfs/dbraw/zinc/22/59/64/344225964.db2.gz FMEZPCIFWZHQHT-UHFFFAOYSA-N 0 1 256.327 2.095 20 5 CEBDMN CSCC[N@@H+](C)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000093509379 344225965 /nfs/dbraw/zinc/22/59/65/344225965.db2.gz FMEZPCIFWZHQHT-UHFFFAOYSA-N 0 1 256.327 2.095 20 5 CEBDMN CCC[N@@H+]1CCC[C@@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000092546172 344194335 /nfs/dbraw/zinc/19/43/35/344194335.db2.gz PHLZZUPQLVQKJK-GFCCVEGCSA-N 0 1 293.323 2.113 20 5 CEBDMN CCC[N@H+]1CCC[C@@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000092546172 344194337 /nfs/dbraw/zinc/19/43/37/344194337.db2.gz PHLZZUPQLVQKJK-GFCCVEGCSA-N 0 1 293.323 2.113 20 5 CEBDMN Cn1cc(CN2CCS[C@@H]3CCCC[C@H]32)c([N+](=O)[O-])n1 ZINC000602477037 347050668 /nfs/dbraw/zinc/05/06/68/347050668.db2.gz OVSPQQKOMYGBDV-VXGBXAGGSA-N 0 1 296.396 2.188 20 5 CEBDMN CCC(CC)CNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272558252 344667956 /nfs/dbraw/zinc/66/79/56/344667956.db2.gz QGPBSSFOEAIGRH-UHFFFAOYSA-N 0 1 266.297 2.466 20 5 CEBDMN C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)C[C@H](C)C(=O)[O-] ZINC000251125335 344635490 /nfs/dbraw/zinc/63/54/90/344635490.db2.gz SEVBJURILQFVLQ-VHSXEESVSA-N 0 1 266.297 2.308 20 5 CEBDMN C[C@H]1CC[C@@H](C(=O)[O-])C[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000397325742 344851042 /nfs/dbraw/zinc/85/10/42/344851042.db2.gz AERZKRXQYPCDSF-CMPLNLGQSA-N 0 1 278.308 2.280 20 5 CEBDMN C[C@@H]1CC[C@H](C(=O)[O-])[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000593290748 345463292 /nfs/dbraw/zinc/46/32/92/345463292.db2.gz OAXURBHKDCHOHF-ZWNOBZJWSA-N 0 1 278.308 2.075 20 5 CEBDMN O=C([O-])[C@@H]1C[N@@H+](Cc2ccccc2[N+](=O)[O-])C[C@H]1C1CC1 ZINC000593755187 345533361 /nfs/dbraw/zinc/53/33/61/345533361.db2.gz HOYZEMRSULVCHP-QWHCGFSZSA-N 0 1 290.319 2.137 20 5 CEBDMN Cc1noc(CN(C[C@H](C)O)C2CCCCC2)c1[N+](=O)[O-] ZINC000595305261 345758428 /nfs/dbraw/zinc/75/84/28/345758428.db2.gz ZQHDUYIXODVZCX-JTQLQIEISA-N 0 1 297.355 2.407 20 5 CEBDMN CCN1CCN(Cc2ccc(F)cc2[N+](=O)[O-])C[C@H]1C ZINC000595389161 345772658 /nfs/dbraw/zinc/77/26/58/345772658.db2.gz LZIWRZUECZSZAX-LLVKDONJSA-N 0 1 281.331 2.260 20 5 CEBDMN C[C@H](O)[C@H]1CCCN(Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595390894 345772951 /nfs/dbraw/zinc/77/29/51/345772951.db2.gz ZPUXABXGNDAFKB-QWRGUYRKSA-N 0 1 282.315 2.327 20 5 CEBDMN COCC[C@]1(NCc2ccc(F)cc2[N+](=O)[O-])CCOC1 ZINC000595460980 345788872 /nfs/dbraw/zinc/78/88/72/345788872.db2.gz JEPFKMCGNVRJOX-AWEZNQCLSA-N 0 1 298.314 2.019 20 5 CEBDMN COC[C@H](NCc1ccc(F)cc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000595467537 345790635 /nfs/dbraw/zinc/79/06/35/345790635.db2.gz MVXRQXZJTSVNOV-JSGCOSHPSA-N 0 1 298.314 2.018 20 5 CEBDMN CO[C@@]1(C)C[C@@H](NCc2onc(C)c2[N+](=O)[O-])C1(C)C ZINC000595513531 345801412 /nfs/dbraw/zinc/80/14/12/345801412.db2.gz VMWNDYZVWJNQAI-MFKMUULPSA-N 0 1 283.328 2.184 20 5 CEBDMN Cc1noc(CN2CCC[C@@H]2[C@H]2CCC[C@H]2O)c1[N+](=O)[O-] ZINC000595515584 345801426 /nfs/dbraw/zinc/80/14/26/345801426.db2.gz YRJDOKNFJSGTBU-IJLUTSLNSA-N 0 1 295.339 2.017 20 5 CEBDMN O=[N+]([O-])c1ccc(N[C@@H]2CCN(C3CC3)C2)s1 ZINC000596091156 345937635 /nfs/dbraw/zinc/93/76/35/345937635.db2.gz WTGBPHUOHJQWBN-MRVPVSSYSA-N 0 1 253.327 2.305 20 5 CEBDMN COCc1nc(CNc2ccc(Cl)cc2[N+](=O)[O-])n[nH]1 ZINC000596436236 346023813 /nfs/dbraw/zinc/02/38/13/346023813.db2.gz OAGDAWWCHUCZMD-UHFFFAOYSA-N 0 1 297.702 2.125 20 5 CEBDMN COCc1nnc(CNc2ccc(Cl)cc2[N+](=O)[O-])[nH]1 ZINC000596436236 346023817 /nfs/dbraw/zinc/02/38/17/346023817.db2.gz OAGDAWWCHUCZMD-UHFFFAOYSA-N 0 1 297.702 2.125 20 5 CEBDMN C[C@@H](C(=O)N(C)Cc1cnc[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000597857563 346238803 /nfs/dbraw/zinc/23/88/03/346238803.db2.gz NGRAWLVIXRHSIQ-SNVBAGLBSA-N 0 1 288.307 2.080 20 5 CEBDMN CCc1ccc(C(=O)N(C)Cc2cnc[nH]2)cc1[N+](=O)[O-] ZINC000597865113 346242393 /nfs/dbraw/zinc/24/23/93/346242393.db2.gz SHPNTWRHDCDPEK-UHFFFAOYSA-N 0 1 288.307 2.153 20 5 CEBDMN O=[N+]([O-])c1ccc(CN[C@@H]2CO[C@H](C3CC3)C2)c(F)c1 ZINC000599010636 346446295 /nfs/dbraw/zinc/44/62/95/346446295.db2.gz SUKNQZWYEAIGHQ-FZMZJTMJSA-N 0 1 280.299 2.391 20 5 CEBDMN O=[N+]([O-])c1ccc(CN2C[C@@H]3CCC[C@]3(CO)C2)c(F)c1 ZINC000599639901 346551265 /nfs/dbraw/zinc/55/12/65/346551265.db2.gz QTRFFZVETTXNHH-SWLSCSKDSA-N 0 1 294.326 2.328 20 5 CEBDMN O=[N+]([O-])c1ccc(-c2ccc([C@H]3COCCN3)cc2)cn1 ZINC000600790257 346690872 /nfs/dbraw/zinc/69/08/72/346690872.db2.gz ZVEGMQDLOLIZSQ-CQSZACIVSA-N 0 1 285.303 2.318 20 5 CEBDMN C[C@H]1CCN(Cc2cn(C)nc2[N+](=O)[O-])CC1(C)C ZINC000602615520 347104616 /nfs/dbraw/zinc/10/46/16/347104616.db2.gz INPXQAGXGWBWLV-JTQLQIEISA-N 0 1 266.345 2.196 20 5 CEBDMN CCN(Cc1nc2cc([N+](=O)[O-])ccc2o1)[C@H]1CCOC1 ZINC000602675418 347137025 /nfs/dbraw/zinc/13/70/25/347137025.db2.gz IOIAXDFJAFFYMX-NSHDSACASA-N 0 1 291.307 2.347 20 5 CEBDMN Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@H]1c1ccc[nH]1 ZINC000602792086 347199758 /nfs/dbraw/zinc/19/97/58/347199758.db2.gz UTVIUQPKQBTWLJ-ZDUSSCGKSA-N 0 1 289.339 2.265 20 5 CEBDMN Cc1cc(C[C@@H](C)Nc2cccnc2[N+](=O)[O-])[nH]n1 ZINC000610856260 347718089 /nfs/dbraw/zinc/71/80/89/347718089.db2.gz BVVIFJLATJXXCF-MRVPVSSYSA-N 0 1 261.285 2.064 20 5 CEBDMN CC(C)c1[nH]nc(C(=O)N2CC[C@H](C)[C@@H](F)C2)c1[N+](=O)[O-] ZINC000611505558 347786844 /nfs/dbraw/zinc/78/68/44/347786844.db2.gz CQIAEIIWOFURIZ-IUCAKERBSA-N 0 1 298.318 2.261 20 5 CEBDMN COC(=O)[C@H]1CCCN(Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000066832894 362888494 /nfs/dbraw/zinc/88/84/94/362888494.db2.gz ITAOLYLKOZZQLJ-ZDUSSCGKSA-N 0 1 292.335 2.288 20 5 CEBDMN COC1(CO)CCN([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000618551758 348973303 /nfs/dbraw/zinc/97/33/03/348973303.db2.gz WANXBCXXVKEKHQ-LBPRGKRZSA-N 0 1 294.351 2.129 20 5 CEBDMN Cn1cnc([N+](=O)[O-])c1CN1CC(C)(C)[C@@H]2CCC[C@@H]21 ZINC000339710139 215309388 /nfs/dbraw/zinc/30/93/88/215309388.db2.gz FZGNHHPEGIDVFP-MNOVXSKESA-N 0 1 278.356 2.339 20 5 CEBDMN CCN[C@H](C)c1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000109504865 186257709 /nfs/dbraw/zinc/25/77/09/186257709.db2.gz DWNRCLYLEQWMFU-MRVPVSSYSA-N 0 1 262.269 2.315 20 5 CEBDMN Cc1[nH]ncc1C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000070982435 363107751 /nfs/dbraw/zinc/10/77/51/363107751.db2.gz KBDNGTNYUOHRLM-UHFFFAOYSA-N 0 1 260.253 2.187 20 5 CEBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@H](C)[C@@H](C)C1 ZINC000072869480 363174494 /nfs/dbraw/zinc/17/44/94/363174494.db2.gz JTPZHLCAAKDTPL-RYUDHWBXSA-N 0 1 291.351 2.430 20 5 CEBDMN CCOc1ccc([N+](=O)[O-])cc1CN[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000152964531 188056431 /nfs/dbraw/zinc/05/64/31/188056431.db2.gz KCYGOFWVAKNLNC-NFAWXSAZSA-N 0 1 292.335 2.403 20 5 CEBDMN CC(C)N1C[C@H](NC(=O)c2ccc([N+](=O)[O-])s2)[C@@H](C)C1 ZINC000155677361 188221704 /nfs/dbraw/zinc/22/17/04/188221704.db2.gz XTPJTHKXGDIADT-UWVGGRQHSA-N 0 1 297.380 2.115 20 5 CEBDMN CCC[C@@H](C)C(=O)NCCNCc1csc([N+](=O)[O-])c1 ZINC000292650063 198362392 /nfs/dbraw/zinc/36/23/92/198362392.db2.gz KYCMYQNKRVEVAL-SNVBAGLBSA-N 0 1 299.396 2.298 20 5 CEBDMN C[C@@H](C1CC1)N(C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000073779122 363248378 /nfs/dbraw/zinc/24/83/78/363248378.db2.gz NRQSOODVJGSPFE-JTQLQIEISA-N 0 1 277.324 2.264 20 5 CEBDMN CCS[C@H]1CCC[C@@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000132207141 366126265 /nfs/dbraw/zinc/12/62/65/366126265.db2.gz RDZCBKLLYROULB-BDAKNGLRSA-N 0 1 298.368 2.112 20 5 CEBDMN CC[C@H](C(N)=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451550059 283031123 /nfs/dbraw/zinc/03/11/23/283031123.db2.gz QRKSKKNTFXHHDZ-TZMCWYRMSA-N 0 1 291.351 2.038 20 5 CEBDMN COc1cc(CN2CC[C@H](OC)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000451563667 283036250 /nfs/dbraw/zinc/03/62/50/283036250.db2.gz JYMJCNZJJRNIEI-RISCZKNCSA-N 0 1 294.351 2.460 20 5 CEBDMN CCC1CCC(CNC(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC000137616145 366546756 /nfs/dbraw/zinc/54/67/56/366546756.db2.gz NATNVCACULKSFS-UHFFFAOYSA-N 0 1 280.328 2.264 20 5 CEBDMN O=C([O-])CC[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000578884449 366562616 /nfs/dbraw/zinc/56/26/16/366562616.db2.gz OXMILCFOTPYYCX-GFCCVEGCSA-N 0 1 278.308 2.249 20 5 CEBDMN C[C@@H](C(=O)[O-])[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000579496898 366657598 /nfs/dbraw/zinc/65/75/98/366657598.db2.gz VJHDRQMBUUHFCM-CMPLNLGQSA-N 0 1 278.308 2.247 20 5 CEBDMN CN(C)[C@H](CNc1ccncc1[N+](=O)[O-])c1ccsc1 ZINC000340150840 366783403 /nfs/dbraw/zinc/78/34/03/366783403.db2.gz DYJQLCXWEQMKPL-GFCCVEGCSA-N 0 1 292.364 2.188 20 5 CEBDMN CC(C)(C)n1cc(Nc2ncc([N+](=O)[O-])cn2)cn1 ZINC000302114949 201347563 /nfs/dbraw/zinc/34/75/63/201347563.db2.gz RBIMRUYMSYQHFM-UHFFFAOYSA-N 0 1 262.273 2.080 20 5 CEBDMN C[C@H](NC(=O)[C@@H](N)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000237438419 370721749 /nfs/dbraw/zinc/72/17/49/370721749.db2.gz UUEDCXGVJPSSBW-NHYWBVRUSA-N 0 1 299.330 2.472 20 5 CEBDMN CCN1CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000174807554 368068775 /nfs/dbraw/zinc/06/87/75/368068775.db2.gz YVKSDEBFPOGQIT-UHFFFAOYSA-N 0 1 283.759 2.386 20 5 CEBDMN CO[C@@]1(C)CCC[N@@H+](Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000330455213 202845357 /nfs/dbraw/zinc/84/53/57/202845357.db2.gz MXYOFUYILKAGKX-AWEZNQCLSA-N 0 1 280.324 2.301 20 5 CEBDMN O=C(NC[C@@H]1CCCCS1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000345997507 368512310 /nfs/dbraw/zinc/51/23/10/368512310.db2.gz VAJFECWTEGEGHO-LBPRGKRZSA-N 0 1 296.348 2.316 20 5 CEBDMN CCN(C)C(=O)CN[C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000186818369 369051485 /nfs/dbraw/zinc/05/14/85/369051485.db2.gz NXNAYMCLNVTURN-LLVKDONJSA-N 0 1 279.340 2.032 20 5 CEBDMN CSC[C@@H](O)CN(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000188101821 369296008 /nfs/dbraw/zinc/29/60/08/369296008.db2.gz NKLXGPVVARSQFY-ZDUSSCGKSA-N 0 1 296.392 2.283 20 5 CEBDMN COCCO[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000189706014 369562476 /nfs/dbraw/zinc/56/24/76/369562476.db2.gz NMMAACIRVBIPSC-AWEZNQCLSA-N 0 1 294.351 2.141 20 5 CEBDMN C[C@@H]1CN(Cc2cc(Cl)ccc2[N+](=O)[O-])C[C@H]1CO ZINC000191724017 369737417 /nfs/dbraw/zinc/73/74/17/369737417.db2.gz BBWLHDDZJZIGDY-KOLCDFICSA-N 0 1 284.743 2.308 20 5 CEBDMN COc1cc(CN(C)[C@H]2CCC[C@H]2O)c([N+](=O)[O-])cc1F ZINC000352669029 369825641 /nfs/dbraw/zinc/82/56/41/369825641.db2.gz WSVGVSAENISKCP-WCQYABFASA-N 0 1 298.314 2.088 20 5 CEBDMN CC(C)[C@@](C)(CO)NCc1c(F)cccc1[N+](=O)[O-] ZINC000352910219 369945090 /nfs/dbraw/zinc/94/50/90/369945090.db2.gz KNTHGUKYSHVYQL-CYBMUJFWSA-N 0 1 270.304 2.231 20 5 CEBDMN CCn1cc(CNCc2ccc([N+](=O)[O-])cc2C)cn1 ZINC000353091640 370014600 /nfs/dbraw/zinc/01/46/00/370014600.db2.gz CFSYHPYVGUDJLX-UHFFFAOYSA-N 0 1 274.324 2.409 20 5 CEBDMN C[N@H+]1CCC[C@H]1CNCc1ccc([N+](=O)[O-])cc1Cl ZINC000230142347 370441104 /nfs/dbraw/zinc/44/11/04/370441104.db2.gz UVMJEQCVARRWJU-LBPRGKRZSA-N 0 1 283.759 2.432 20 5 CEBDMN CCn1cncc1CNCc1cccc([N+](=O)[O-])c1C ZINC000231883647 370497664 /nfs/dbraw/zinc/49/76/64/370497664.db2.gz UEUCOTBODBZAPC-UHFFFAOYSA-N 0 1 274.324 2.409 20 5 CEBDMN Cc1coc(-c2cccc(NC(=O)[C@H]3C[C@H]3[N+](=O)[O-])c2)n1 ZINC000361346527 371798696 /nfs/dbraw/zinc/79/86/96/371798696.db2.gz NDIOZUIAGBZMHQ-NWDGAFQWSA-N 0 1 287.275 2.254 20 5 CEBDMN O=[N+]([O-])c1cnn(CCN2CC[C@@H]2c2ccccc2)c1 ZINC000361399205 371828757 /nfs/dbraw/zinc/82/87/57/371828757.db2.gz ZGGGNQSVGHMYAA-CQSZACIVSA-N 0 1 272.308 2.238 20 5 CEBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCCC2(CCCCC2)C1 ZINC000362774351 372519675 /nfs/dbraw/zinc/51/96/75/372519675.db2.gz KCVZQTYOZQABCZ-NEPJUHHUSA-N 0 1 266.341 2.225 20 5 CEBDMN O=[N+]([O-])c1ccc(F)cc1N1CCC(c2nc[nH]n2)CC1 ZINC000364128788 372674397 /nfs/dbraw/zinc/67/43/97/372674397.db2.gz PXWBYPYCZNUFRT-UHFFFAOYSA-N 0 1 291.286 2.236 20 5 CEBDMN CCc1nc([C@H](C)Nc2ccccc2[N+](=O)[O-])n[nH]1 ZINC000270623585 372871622 /nfs/dbraw/zinc/87/16/22/372871622.db2.gz CYGSCBRUAVMXPU-QMMMGPOBSA-N 0 1 261.285 2.448 20 5 CEBDMN O=C(N[C@@H]1CCC[C@H]1c1ccccc1)[C@@H]1CC1[N+](=O)[O-] ZINC000365543112 372887724 /nfs/dbraw/zinc/88/77/24/372887724.db2.gz CNKDVVYZIOUOPK-REWJHTLYSA-N 0 1 274.320 2.104 20 5 CEBDMN COc1ccc(CN(C)C[C@H](C)OC)cc1[N+](=O)[O-] ZINC000272791608 373659396 /nfs/dbraw/zinc/65/93/96/373659396.db2.gz JJSFNRCNZPIABI-JTQLQIEISA-N 0 1 268.313 2.070 20 5 CEBDMN C[C@@H]1[C@H]2C[C@@H](C[C@H]1NC(=O)c1n[nH]cc1[N+](=O)[O-])C2(C)C ZINC000371341159 373849251 /nfs/dbraw/zinc/84/92/51/373849251.db2.gz LWUQVMGHOGCPOB-UTINFBMNSA-N 0 1 292.339 2.118 20 5 CEBDMN Cc1ccc(-c2cnccn2)cc1NC(=O)[C@H]1C[C@H]1[N+](=O)[O-] ZINC000373631252 374393995 /nfs/dbraw/zinc/39/39/95/374393995.db2.gz LZFVDNVRFPSOIO-SMDDNHRTSA-N 0 1 298.302 2.056 20 5 CEBDMN CC[C@H]1[C@H](CO)CCN1Cc1ccc([N+](=O)[O-])cc1F ZINC000385762224 375241780 /nfs/dbraw/zinc/24/17/80/375241780.db2.gz XVKSEZWEVGSOQY-FZMZJTMJSA-N 0 1 282.315 2.327 20 5 CEBDMN Cn1cnc([N+](=O)[O-])c1CN1CCC[C@H]2CCCC[C@H]21 ZINC000408001491 375393509 /nfs/dbraw/zinc/39/35/09/375393509.db2.gz ANDHYRMVTHUKAJ-VXGBXAGGSA-N 0 1 278.356 2.483 20 5 CEBDMN C[C@@H]1C[C@H](C)CCN(Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000408437189 375481401 /nfs/dbraw/zinc/48/14/01/375481401.db2.gz QKDBTCMUTJYQGZ-GHMZBOCLSA-N 0 1 266.345 2.196 20 5 CEBDMN Cc1cc(CNCc2ccc([N+](=O)[O-])cc2C)n(C)n1 ZINC000283828896 375767695 /nfs/dbraw/zinc/76/76/95/375767695.db2.gz GQOVSZCAXUFASP-UHFFFAOYSA-N 0 1 274.324 2.235 20 5 CEBDMN CC(C)n1cc(CNCCc2ccccc2[N+](=O)[O-])nn1 ZINC000289726830 376464297 /nfs/dbraw/zinc/46/42/97/376464297.db2.gz MHSDRBUIZOMNNZ-UHFFFAOYSA-N 0 1 289.339 2.100 20 5 CEBDMN O=[N+]([O-])c1ccc([O-])cc1C[N@@H+]1CC[C@H](O)CC12CCC2 ZINC000420989684 376759206 /nfs/dbraw/zinc/75/92/06/376759206.db2.gz CSEPONCZNHCGCS-ZDUSSCGKSA-N 0 1 292.335 2.180 20 5 CEBDMN CCC1(C)CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000291005908 377028683 /nfs/dbraw/zinc/02/86/83/377028683.db2.gz CIQJUBNGHCNUTH-UHFFFAOYSA-N 0 1 264.281 2.173 20 5 CEBDMN C[C@H](NCCOc1ccc([N+](=O)[O-])cc1)c1ccncn1 ZINC000562779205 376999818 /nfs/dbraw/zinc/99/98/18/376999818.db2.gz VUJSYBIVOAPFOC-NSHDSACASA-N 0 1 288.307 2.114 20 5 CEBDMN CO[C@@H]1C[N@H+](Cc2cc([O-])ccc2[N+](=O)[O-])CC[C@H]1C ZINC000330458983 377144331 /nfs/dbraw/zinc/14/43/31/377144331.db2.gz SMFYAQQJFFBKKA-QMTHXVAHSA-N 0 1 280.324 2.157 20 5 CEBDMN CO[C@@H]1C[N@@H+](Cc2cc([O-])ccc2[N+](=O)[O-])CC[C@H]1C ZINC000330458983 377144335 /nfs/dbraw/zinc/14/43/35/377144335.db2.gz SMFYAQQJFFBKKA-QMTHXVAHSA-N 0 1 280.324 2.157 20 5 CEBDMN CCOc1cc(CN2CC[C@H](C)[C@H](O)C2)ccc1[N+](=O)[O-] ZINC000331154016 377305606 /nfs/dbraw/zinc/30/56/06/377305606.db2.gz IZXGOXRLXKSJNI-SMDDNHRTSA-N 0 1 294.351 2.196 20 5 CEBDMN CC[C@H](F)CN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000331276100 377356222 /nfs/dbraw/zinc/35/62/22/377356222.db2.gz CHEFTHGESRQLBE-WDEREUQCSA-N 0 1 282.319 2.224 20 5 CEBDMN O=C(N[C@@H]1CC[C@H]2CCCC[C@@H]2C1)c1n[nH]cc1[N+](=O)[O-] ZINC000332150355 377529816 /nfs/dbraw/zinc/52/98/16/377529816.db2.gz LMAHIVPXYFFUKH-GMTAPVOTSA-N 0 1 292.339 2.407 20 5 CEBDMN CC[C@H]1CC[C@@H](C)N1Cc1c([N+](=O)[O-])ncn1C ZINC000332687718 377668986 /nfs/dbraw/zinc/66/89/86/377668986.db2.gz UTKXYUVCYKQJRR-ZJUUUORDSA-N 0 1 252.318 2.091 20 5 CEBDMN CCc1[nH]nc(C(=O)N2CC(C)(C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000332739526 377690129 /nfs/dbraw/zinc/69/01/29/377690129.db2.gz YISJKDQXZUPWLB-QMMMGPOBSA-N 0 1 280.328 2.141 20 5 CEBDMN CC[C@@H]1CCN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000294178607 377929718 /nfs/dbraw/zinc/92/97/18/377929718.db2.gz WRBYAOPQOISZMF-MRVPVSSYSA-N 0 1 274.280 2.096 20 5 CEBDMN COc1cc(CN[C@@H]2CCOC2(C)C)c([N+](=O)[O-])cc1F ZINC000295260669 378075067 /nfs/dbraw/zinc/07/50/67/378075067.db2.gz RIRSMRDVWIITOE-CYBMUJFWSA-N 0 1 298.314 2.400 20 5 CEBDMN O=[N+]([O-])c1ccc([O-])cc1C[N@H+]1CCC[C@@]2(CCOC2)C1 ZINC000449689095 378220275 /nfs/dbraw/zinc/22/02/75/378220275.db2.gz XTYPPUQGYOKFJA-OAHLLOKOSA-N 0 1 292.335 2.303 20 5 CEBDMN CC(C)c1nc([C@@H](C)Nc2ccc([N+](=O)[O-])nc2)n[nH]1 ZINC000450411863 378403735 /nfs/dbraw/zinc/40/37/35/378403735.db2.gz OGYJGYHMMIBNPR-MRVPVSSYSA-N 0 1 276.300 2.404 20 5 CEBDMN Cc1c(NC(=O)NC[C@H]2CCC[N@@H+]2C)cccc1[N+](=O)[O-] ZINC000299262358 378946758 /nfs/dbraw/zinc/94/67/58/378946758.db2.gz VWALNXGUPATICP-LLVKDONJSA-N 0 1 292.339 2.119 20 5 CEBDMN CC[C@H](C)N(CCO)Cc1ccc([N+](=O)[O-])cc1OC ZINC000347460798 218243978 /nfs/dbraw/zinc/24/39/78/218243978.db2.gz VQBQCIBJVYXJHK-NSHDSACASA-N 0 1 282.340 2.196 20 5 CEBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H](C)C(=O)NCCF ZINC000514798371 379150492 /nfs/dbraw/zinc/15/04/92/379150492.db2.gz NXMQZFQLWVLUEW-QWRGUYRKSA-N 0 1 297.330 2.028 20 5 CEBDMN CC(C)N1C[C@@H](N[C@H](C)c2cccc([N+](=O)[O-])c2)CC1=O ZINC000266745094 190278368 /nfs/dbraw/zinc/27/83/68/190278368.db2.gz AMFOLEHGKKAAPQ-YPMHNXCESA-N 0 1 291.351 2.255 20 5 CEBDMN CC(C)(O)[C@@H]1CCCN1Cc1csc([N+](=O)[O-])c1 ZINC000305197200 379681555 /nfs/dbraw/zinc/68/15/55/379681555.db2.gz UJRCQZXHXQLVJN-JTQLQIEISA-N 0 1 270.354 2.392 20 5 CEBDMN CCOc1cc(CN2CC[C@@H](OC)C2)ccc1[N+](=O)[O-] ZINC000492646872 380639731 /nfs/dbraw/zinc/63/97/31/380639731.db2.gz CICCSHAHTVXPLQ-GFCCVEGCSA-N 0 1 280.324 2.214 20 5 CEBDMN O=[N+]([O-])c1ccsc1N1CC[C@H](N2CC=CC2)C1 ZINC000301981932 285170268 /nfs/dbraw/zinc/17/02/68/285170268.db2.gz BDSAHNPWHCDTKE-JTQLQIEISA-N 0 1 265.338 2.107 20 5 CEBDMN COc1ccc([N+](=O)[O-])cc1CN1CCC[C@H](CO)[C@@H]1C ZINC000412089611 533219126 /nfs/dbraw/zinc/21/91/26/533219126.db2.gz TULQPDAVYFMSQK-NWDGAFQWSA-N 0 1 294.351 2.196 20 5 CEBDMN C[C@@H]1CC[C@H](O)CN1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000421372618 394514886 /nfs/dbraw/zinc/51/48/86/394514886.db2.gz LBVQPWKZKWDEKD-LJXYTEIVSA-N 0 1 276.336 2.453 20 5 CEBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)CC(C)C ZINC000049442543 394547598 /nfs/dbraw/zinc/54/75/98/394547598.db2.gz AIYAKSKLTDPWRU-UHFFFAOYSA-N 0 1 279.340 2.430 20 5 CEBDMN CC(C)OCC(C)(C)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000414003748 394676459 /nfs/dbraw/zinc/67/64/59/394676459.db2.gz YXBLKSAWMUTDCC-UHFFFAOYSA-N 0 1 296.323 2.234 20 5 CEBDMN CCCc1[nH]nc(C(=O)N2CCC3(CCC3)C2)c1[N+](=O)[O-] ZINC000158676934 395050973 /nfs/dbraw/zinc/05/09/73/395050973.db2.gz UEWQHEVKBICHSG-UHFFFAOYSA-N 0 1 292.339 2.287 20 5 CEBDMN CC(C)OCC[C@@H](O)CN(C)Cc1ccccc1[N+](=O)[O-] ZINC000349240012 395162815 /nfs/dbraw/zinc/16/28/15/395162815.db2.gz GVKBHCNDQMDNFQ-CQSZACIVSA-N 0 1 296.367 2.203 20 5 CEBDMN CC[C@@H](C)N1CCN(c2nc(C)ccc2[N+](=O)[O-])CC1 ZINC000295961605 395304921 /nfs/dbraw/zinc/30/49/21/395304921.db2.gz JNEGEEODTQTIDM-GFCCVEGCSA-N 0 1 278.356 2.219 20 5 CEBDMN CCO[C@H]1C[C@@H]1NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000522058861 395258093 /nfs/dbraw/zinc/25/80/93/395258093.db2.gz KWPRTJKHNJBRJG-AAEUAGOBSA-N 0 1 250.298 2.170 20 5 CEBDMN CC(C)C[C@H]1CCN(Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000355346405 395417370 /nfs/dbraw/zinc/41/73/70/395417370.db2.gz ULXXSBUPFXPYBM-LLVKDONJSA-N 0 1 266.345 2.196 20 5 CEBDMN O=[N+]([O-])c1ccccc1CN1CC[C@H](O)CC12CCC2 ZINC000572831324 395589010 /nfs/dbraw/zinc/58/90/10/395589010.db2.gz PCDUKKIFHPJQAH-ZDUSSCGKSA-N 0 1 276.336 2.474 20 5 CEBDMN Cc1cccc([N+](=O)[O-])c1C(=O)N(C)[C@H]1CCCN(C)C1 ZINC000194756483 153264711 /nfs/dbraw/zinc/26/47/11/153264711.db2.gz PGRIPPJZZDIUEE-LBPRGKRZSA-N 0 1 291.351 2.069 20 5 CEBDMN C[C@@]1(O)CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000230376167 153394812 /nfs/dbraw/zinc/39/48/12/153394812.db2.gz YXBIMEDKWQTIAE-CQSZACIVSA-N 0 1 264.325 2.332 20 5 CEBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCN(C)CC1 ZINC000182634769 292295866 /nfs/dbraw/zinc/29/58/66/292295866.db2.gz ZPQWDQSBIUCAIL-LBPRGKRZSA-N 0 1 263.341 2.212 20 5 CEBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCCC[C@@H]1c1ccccc1 ZINC000364000875 156059913 /nfs/dbraw/zinc/05/99/13/156059913.db2.gz KUVQWBDDKANGLR-MGPQQGTHSA-N 0 1 274.320 2.405 20 5 CEBDMN CC(C)c1ccc(CN2C[C@H]3[C@H](CO)[C@H]3C2)cc1[N+](=O)[O-] ZINC000367838122 156246203 /nfs/dbraw/zinc/24/62/03/156246203.db2.gz AOOOXSICDIRIIK-FICVDOATSA-N 0 1 290.363 2.388 20 5 CEBDMN O=C(N[C@@H]1CC[C@H](c2ccc(F)cc2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000375907988 157161935 /nfs/dbraw/zinc/16/19/35/157161935.db2.gz ULBDWPDELNXZNA-IGHBBLSQSA-N 0 1 292.310 2.243 20 5 CEBDMN CC(C)[C@H]1CN(C)CCN1Cc1csc([N+](=O)[O-])c1 ZINC000174699710 165115200 /nfs/dbraw/zinc/11/52/00/165115200.db2.gz BNHJIXBSOSDRBW-GFCCVEGCSA-N 0 1 283.397 2.428 20 5 CEBDMN O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccc2[nH]nnc2c1 ZINC000176715558 165169162 /nfs/dbraw/zinc/16/91/62/165169162.db2.gz NLJUZJNBTUWCPJ-UHFFFAOYSA-N 0 1 297.274 2.047 20 5 CEBDMN Cc1c(CN[C@H](C)c2ccc(N)c([N+](=O)[O-])c2)cnn1C ZINC000285284632 196240729 /nfs/dbraw/zinc/24/07/29/196240729.db2.gz RKDBSOVWQOZGDG-SECBINFHSA-N 0 1 289.339 2.070 20 5 CEBDMN CN1CCC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000040690807 174376804 /nfs/dbraw/zinc/37/68/04/174376804.db2.gz JSDQBFWCTXXSAI-SECBINFHSA-N 0 1 297.742 2.072 20 5 CEBDMN Cc1ccc([C@@H](C)NCc2cnn(C)c2)cc1[N+](=O)[O-] ZINC000041158972 174501402 /nfs/dbraw/zinc/50/14/02/174501402.db2.gz ZGVMTYSSBRERNC-LLVKDONJSA-N 0 1 274.324 2.488 20 5 CEBDMN O=C(Nc1ccc2[nH]cnc2c1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000355947249 228061899 /nfs/dbraw/zinc/06/18/99/228061899.db2.gz WLKQTPJUPFBJMC-UHFFFAOYSA-N 0 1 298.258 2.429 20 5 CEBDMN O=[N+]([O-])c1ccccc1C=CCN1CC[C@@H](c2nnc[nH]2)C1 ZINC000425358698 264070202 /nfs/dbraw/zinc/07/02/02/264070202.db2.gz RCCMEWCAEGUCGL-MASHWEEQSA-N 0 1 299.334 2.216 20 5 CEBDMN CNC(=O)[C@@H](NCc1ccc(Cl)cc1[N+](=O)[O-])C(C)C ZINC000183651350 270240462 /nfs/dbraw/zinc/24/04/62/270240462.db2.gz DTDUIEROYRSJBF-LBPRGKRZSA-N 0 1 299.758 2.108 20 5 CEBDMN Cc1nc([C@@H](C)Nc2c3ccccc3ncc2[N+](=O)[O-])n[nH]1 ZINC000392702018 270341937 /nfs/dbraw/zinc/34/19/37/270341937.db2.gz VQMVAUNCKRWLIT-MRVPVSSYSA-N 0 1 298.306 2.165 20 5 CEBDMN O=[N+]([O-])c1ccc(CNCC2=CCOCC2)c(F)c1 ZINC000397763935 270354804 /nfs/dbraw/zinc/35/48/04/270354804.db2.gz LUNPSFATOBZFAQ-UHFFFAOYSA-N 0 1 266.272 2.170 20 5 CEBDMN COc1cc([N+](=O)[O-])ccc1CN(C)[C@@H](CO)C(C)(C)C ZINC000430212754 271362924 /nfs/dbraw/zinc/36/29/24/271362924.db2.gz PRQLNFAHCPLMHW-AWEZNQCLSA-N 0 1 296.367 2.442 20 5 CEBDMN COCC(C)(C)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000292121300 274016674 /nfs/dbraw/zinc/01/66/74/274016674.db2.gz KEXVVLFWNKSEDO-UHFFFAOYSA-N 0 1 252.314 2.452 20 5 CEBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@H]1CCCCNC1=O ZINC000134079748 280012596 /nfs/dbraw/zinc/01/25/96/280012596.db2.gz VUFZACHNNXAUFE-FZMZJTMJSA-N 0 1 291.351 2.223 20 5 CEBDMN Cc1ccc([N+](=O)[O-])c(N2CCN(C3CCCC3)CC2)n1 ZINC000121020215 281012174 /nfs/dbraw/zinc/01/21/74/281012174.db2.gz YFSQIJCXAWCSCP-UHFFFAOYSA-N 0 1 290.367 2.363 20 5 CEBDMN CC(C)c1ccc(CN2CC[C@H](O)C2)cc1[N+](=O)[O-] ZINC000157666506 289218753 /nfs/dbraw/zinc/21/87/53/289218753.db2.gz GOPAPESMONBVLB-LBPRGKRZSA-N 0 1 264.325 2.285 20 5 CEBDMN CC(C)(C)c1nc(CNCc2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000459697411 290211674 /nfs/dbraw/zinc/21/16/74/290211674.db2.gz ICPXINZSHAGMLQ-UHFFFAOYSA-N 0 1 289.339 2.300 20 5 CEBDMN CC[C@@H]1OCC[C@H]1NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000459784316 290238780 /nfs/dbraw/zinc/23/87/80/290238780.db2.gz XFKMLEVXWNJPMC-YPMHNXCESA-N 0 1 290.323 2.128 20 5 CEBDMN C[C@@H](NCCOc1ccccc1[N+](=O)[O-])c1ccn(C)n1 ZINC000459802763 290245555 /nfs/dbraw/zinc/24/55/55/290245555.db2.gz YXGMTWCJDZGMRK-LLVKDONJSA-N 0 1 290.323 2.058 20 5 CEBDMN CC(C)[C@H]1CN(c2ccc([N+](=O)[O-])c(N)c2F)CCN1C ZINC000487101416 290331345 /nfs/dbraw/zinc/33/13/45/290331345.db2.gz PRMNCYQLJUSCQP-GFCCVEGCSA-N 0 1 296.346 2.093 20 5 CEBDMN CC(C)[C@H]1CN(Cc2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000487995597 290372543 /nfs/dbraw/zinc/37/25/43/290372543.db2.gz AYIYGOKFUSSVMT-OAHLLOKOSA-N 0 1 277.368 2.367 20 5 CEBDMN COc1ccc([N+](=O)[O-])cc1CN(C)CC(C)(C)OC ZINC000531575682 298111380 /nfs/dbraw/zinc/11/13/80/298111380.db2.gz ZYFYVMQQLILWCJ-UHFFFAOYSA-N 0 1 282.340 2.460 20 5 CEBDMN CCC[C@H]1CCCC[C@H]1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000535008645 298179663 /nfs/dbraw/zinc/17/96/63/298179663.db2.gz OYNRENPXTAIFGR-VHSXEESVSA-N 0 1 280.328 2.407 20 5 CEBDMN CC(C)n1cc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)cn1 ZINC000559222442 298613317 /nfs/dbraw/zinc/61/33/17/298613317.db2.gz KMPOTZZIWVLHFG-UHFFFAOYSA-N 0 1 290.279 2.330 20 5 CEBDMN C[C@H](C(=O)[O-])[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CCC1 ZINC000567369112 299058802 /nfs/dbraw/zinc/05/88/02/299058802.db2.gz QVYPLEJARUXWSM-SNVBAGLBSA-N 0 1 278.308 2.422 20 5 CEBDMN C[C@H]1CN2CCCC[C@H]2CN1c1ncc([N+](=O)[O-])cc1F ZINC000571293230 314082975 /nfs/dbraw/zinc/08/29/75/314082975.db2.gz LVVSGLUOHHOIPM-QWRGUYRKSA-N 0 1 294.330 2.192 20 5 CEBDMN O=C([O-])CC1(C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC000576590334 314291424 /nfs/dbraw/zinc/29/14/24/314291424.db2.gz ZHJFHKJXFKIGLN-UHFFFAOYSA-N 0 1 290.319 2.208 20 5 CEBDMN CC1(c2ccccc2)CCN(C(=O)[C@H]2CC2[N+](=O)[O-])CC1 ZINC000372198857 520784674 /nfs/dbraw/zinc/78/46/74/520784674.db2.gz AMBRHGHYHTVRII-UONOGXRCSA-N 0 1 288.347 2.232 20 5 CEBDMN CCCN(C)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000067378531 521512846 /nfs/dbraw/zinc/51/28/46/521512846.db2.gz SGYPOWXFAYGASY-CYBMUJFWSA-N 0 1 277.324 2.042 20 5 CEBDMN C[C@H]1COCCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000363478130 524708463 /nfs/dbraw/zinc/70/84/63/524708463.db2.gz HIXNFKVNZJNJNG-LLVKDONJSA-N 0 1 250.298 2.063 20 5 CEBDMN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC(CC(N)=O)CC1 ZINC000052941464 526078214 /nfs/dbraw/zinc/07/82/14/526078214.db2.gz GUDJQMDSBOZQMV-NSHDSACASA-N 0 1 291.351 2.243 20 5 CEBDMN CO[C@H](CNCc1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC000733330340 574665042 /nfs/dbraw/zinc/66/50/42/574665042.db2.gz ULIDVCPFAQAEKW-SNVBAGLBSA-N 0 1 278.230 2.262 20 5 CEBDMN CN(C[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1)C(=O)[O-] ZINC000739665920 574930083 /nfs/dbraw/zinc/93/00/83/574930083.db2.gz OPUXRNRHMUERKL-LBPRGKRZSA-N 0 1 293.323 2.027 20 5 CEBDMN Cc1c(C[N@@H+]2CC[C@@H](N(C)C(=O)[O-])C2)cccc1[N+](=O)[O-] ZINC000829859804 603812247 /nfs/dbraw/zinc/81/22/47/603812247.db2.gz RHEIZRHZSVBTCC-GFCCVEGCSA-N 0 1 293.323 2.087 20 5 CEBDMN Cc1nc([C@@H](C)Nc2c([N+](=O)[O-])cccc2[N+](=O)[O-])n[nH]1 ZINC000804839134 623045902 /nfs/dbraw/zinc/04/59/02/623045902.db2.gz XWBBCWKAVKRVSK-ZCFIWIBFSA-N 0 1 292.255 2.103 20 5 CEBDMN CCN1CCN(c2cc(OC)c(C)cc2[N+](=O)[O-])CC1 ZINC000820599683 634469284 /nfs/dbraw/zinc/46/92/84/634469284.db2.gz XUBSCUQVECJYGZ-UHFFFAOYSA-N 0 1 279.340 2.054 20 5 CEBDMN C[C@H]1Cc2cc(F)ccc2[C@H](C)N1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840408012 634597387 /nfs/dbraw/zinc/59/73/87/634597387.db2.gz AHJPUZIWAIMKDF-QYAIJTBZSA-N 0 1 292.310 2.325 20 5 CEBDMN CCCCOCCNCc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000892732809 627736923 /nfs/dbraw/zinc/73/69/23/627736923.db2.gz MLDLDPYYHFYGGA-UHFFFAOYSA-N 0 1 298.339 2.215 20 5 CEBDMN CC(=O)OC[C@H](C)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000893278592 628231788 /nfs/dbraw/zinc/23/17/88/628231788.db2.gz HQWZAVBGFOKFCK-VHSXEESVSA-N 0 1 266.297 2.197 20 5 CEBDMN COC(=O)/C(C)=C\CN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000932180330 628983209 /nfs/dbraw/zinc/98/32/09/628983209.db2.gz RNKYJDWBDSUVED-HIJJYWJESA-N 0 1 278.308 2.365 20 5 CEBDMN CCN1CCN(c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000893825635 629012110 /nfs/dbraw/zinc/01/21/10/629012110.db2.gz FKTCKEMXAJBHDX-JTQLQIEISA-N 0 1 294.311 2.033 20 5 CEBDMN O=C(OC[C@@H]1CCCc2ccccc21)[C@@H]1CC1[N+](=O)[O-] ZINC000840670524 629289963 /nfs/dbraw/zinc/28/99/63/629289963.db2.gz HPWXDWFTDCNTQL-IACUBPJLSA-N 0 1 275.304 2.315 20 5 CEBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840672992 629348008 /nfs/dbraw/zinc/34/80/08/629348008.db2.gz HCMRZPJRROLCAS-XXILOJSOSA-N 0 1 294.263 2.173 20 5 CEBDMN CC1=NO[C@H](CNC/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000895310466 630098842 /nfs/dbraw/zinc/09/88/42/630098842.db2.gz HVKRJPUVHIPZTA-BPJJOFIESA-N 0 1 275.308 2.362 20 5 CEBDMN CC(C)Oc1nc(N[C@H]2CC[N@@H+](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000895736537 630326323 /nfs/dbraw/zinc/32/63/23/630326323.db2.gz KLNSZKIOUBXIJX-QWRGUYRKSA-N 0 1 294.355 2.282 20 5 CEBDMN Cc1cc(NCc2n[nH]c(C)n2)c([N+](=O)[O-])s1 ZINC000897209644 630992348 /nfs/dbraw/zinc/99/23/48/630992348.db2.gz TWKVRPICFDLFMY-UHFFFAOYSA-N 0 1 253.287 2.003 20 5 CEBDMN Cc1nc([C@@H](C)OC(=O)c2ccc([N+](=O)[O-])cc2C)n[nH]1 ZINC000840222288 632333140 /nfs/dbraw/zinc/33/31/40/632333140.db2.gz YTNZXMFYNHQFBR-MRVPVSSYSA-N 0 1 290.279 2.248 20 5 CEBDMN C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840332634 633581621 /nfs/dbraw/zinc/58/16/21/633581621.db2.gz ZQZYJCNQUKITOG-NILFDRSVSA-N 0 1 288.347 2.479 20 5 CEBDMN O=C(NC1(C(F)(F)F)CCCCC1)[C@@H]1CC1[N+](=O)[O-] ZINC000840342819 633687249 /nfs/dbraw/zinc/68/72/49/633687249.db2.gz VXJNWGJHOABFNO-HTQZYQBOSA-N 0 1 280.246 2.033 20 5 CEBDMN O=[N+]([O-])c1ccc(O)cc1Cn1cc(C2CCC2)nn1 ZINC000900546045 633752840 /nfs/dbraw/zinc/75/28/40/633752840.db2.gz JNMYOTAPZAQCQZ-UHFFFAOYSA-N 0 1 274.280 2.208 20 5 CEBDMN C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@H](C(=O)[O-])C1 ZINC000901491536 634142330 /nfs/dbraw/zinc/14/23/30/634142330.db2.gz SXJPIOXLHWXYAB-YLBKJLTLSA-N 0 1 290.319 2.405 20 5 CEBDMN CCN1CCC[C@@H](N[C@H](C)c2cccc([N+](=O)[O-])c2)C1=O ZINC000903393988 635089910 /nfs/dbraw/zinc/08/99/10/635089910.db2.gz WWKZRTSVQSASDP-BXUZGUMPSA-N 0 1 291.351 2.256 20 5 CEBDMN C[C@H](NCC[N+](=O)[O-])[C@@H](O)c1c(Cl)cccc1Cl ZINC000905365874 636247052 /nfs/dbraw/zinc/24/70/52/636247052.db2.gz REJQXASGFCQTEY-WRWORJQWSA-N 0 1 293.150 2.282 20 5 CEBDMN COc1cc2c(cc1OC)[C@H](NCC[N+](=O)[O-])CCCC2 ZINC000905439762 636281186 /nfs/dbraw/zinc/28/11/86/636281186.db2.gz NMJNVCFXVYGADJ-CYBMUJFWSA-N 0 1 294.351 2.338 20 5 CEBDMN C[C@H]1CCC[C@H](C)N1NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000907988733 637202725 /nfs/dbraw/zinc/20/27/25/637202725.db2.gz JAVMLRZONBLBCS-UWVGGRQHSA-N 0 1 293.323 2.208 20 5 CEBDMN CCN1CCCN(C(=O)c2ccc([N+](=O)[O-])s2)[C@H](C)C1 ZINC000910295532 637999144 /nfs/dbraw/zinc/99/91/44/637999144.db2.gz MGCPTXVQWPQHQW-SNVBAGLBSA-N 0 1 297.380 2.213 20 5 CEBDMN O=C(OCc1cc(O)ccc1[N+](=O)[O-])C1CCC1 ZINC000837402928 639216483 /nfs/dbraw/zinc/21/64/83/639216483.db2.gz VYUVCANLVLSMDL-UHFFFAOYSA-N 0 1 251.238 2.144 20 5 CEBDMN CC[C@@H](SC)C(=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837589360 639297235 /nfs/dbraw/zinc/29/72/35/639297235.db2.gz RCORTPJBETZIRX-LLVKDONJSA-N 0 1 285.321 2.485 20 5 CEBDMN CC(C)[C@@H](F)C(=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837655050 639327512 /nfs/dbraw/zinc/32/75/12/639327512.db2.gz CRHJROXQJWITFG-LLVKDONJSA-N 0 1 271.244 2.338 20 5 CEBDMN O=C(OCc1cc(O)ccc1[N+](=O)[O-])[C@H]1CCC=CO1 ZINC000837691434 639345339 /nfs/dbraw/zinc/34/53/39/639345339.db2.gz UHSTVGXCSNVMPC-GFCCVEGCSA-N 0 1 279.248 2.036 20 5 CEBDMN C[C@@H]1C[C@H](C)[C@H](C(=O)OCc2cc(O)ccc2[N+](=O)[O-])O1 ZINC000837703578 639350310 /nfs/dbraw/zinc/35/03/10/639350310.db2.gz GWJJJJPUEGIJRF-IGJMFERPSA-N 0 1 295.291 2.157 20 5 CEBDMN COC[C@H](C)[C@@H](C)C(=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837739341 639369038 /nfs/dbraw/zinc/36/90/38/639369038.db2.gz UYERAJDRXGTWSJ-VHSXEESVSA-N 0 1 297.307 2.262 20 5 CEBDMN CCc1cccc(F)c1COC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000841261376 639721379 /nfs/dbraw/zinc/72/13/79/639721379.db2.gz GEDLFOXVPQFZRH-BXKDBHETSA-N 0 1 267.256 2.097 20 5 CEBDMN CCC(CC)(CO)C(=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000842109130 639957338 /nfs/dbraw/zinc/95/73/38/639957338.db2.gz XVJYINYQPSKXDB-UHFFFAOYSA-N 0 1 297.307 2.142 20 5 CEBDMN CCc1ccc(/C=C/COC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC000842345601 640024050 /nfs/dbraw/zinc/02/40/50/640024050.db2.gz HOYHVCSTDSSTLZ-LSMGEYOZSA-N 0 1 275.304 2.471 20 5 CEBDMN CC(C)[C@@H](N)c1noc(COc2ccc([N+](=O)[O-])cc2)n1 ZINC000843147540 640305435 /nfs/dbraw/zinc/30/54/35/640305435.db2.gz AZALPISALZFJKQ-GFCCVEGCSA-N 0 1 292.295 2.213 20 5 CEBDMN O=C(NC1(c2ccccc2Cl)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC000843629767 640484557 /nfs/dbraw/zinc/48/45/57/640484557.db2.gz ILZLHAJLEBUCGG-LDYMZIIASA-N 0 1 280.711 2.111 20 5 CEBDMN O=[N+]([O-])c1cccc(CNC[C@]23OCCC[C@H]2C3(F)F)c1 ZINC000850378212 642689711 /nfs/dbraw/zinc/68/97/11/642689711.db2.gz YGRNVDMDIIWLAU-OLZOCXBDSA-N 0 1 298.289 2.499 20 5 CEBDMN CC[C@]1(C(=O)[O-])CCC[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000923470206 643724991 /nfs/dbraw/zinc/72/49/91/643724991.db2.gz FIQSIGPQEKSILX-AWEZNQCLSA-N 0 1 293.323 2.067 20 5 CEBDMN C[C@]1(C(=O)OCc2cc(O)ccc2[N+](=O)[O-])CCCCO1 ZINC000838436087 643941036 /nfs/dbraw/zinc/94/10/36/643941036.db2.gz WRQRZLGFIQILGW-CQSZACIVSA-N 0 1 295.291 2.303 20 5 CEBDMN CC[N@H+]1CC[C@@H]1CNC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000877902503 650942896 /nfs/dbraw/zinc/94/28/96/650942896.db2.gz BTIMOPRIJWBSFW-GFCCVEGCSA-N 0 1 292.339 2.119 20 5 CEBDMN CCN1CC[C@@H]1CNC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000877902503 650942900 /nfs/dbraw/zinc/94/29/00/650942900.db2.gz BTIMOPRIJWBSFW-GFCCVEGCSA-N 0 1 292.339 2.119 20 5 CEBDMN O=C(N[C@H]1CCc2cc(Cl)ccc21)[C@@H]1CC1[N+](=O)[O-] ZINC000839571425 644746433 /nfs/dbraw/zinc/74/64/33/644746433.db2.gz BJGUBSUCBALHGU-GRYCIOLGSA-N 0 1 280.711 2.109 20 5 CEBDMN O=C(NCCCc1ccc(Cl)cc1)[C@@H]1CC1[N+](=O)[O-] ZINC000839613909 644755208 /nfs/dbraw/zinc/75/52/08/644755208.db2.gz HDJAFJXWMNXWKI-VXGBXAGGSA-N 0 1 282.727 2.054 20 5 CEBDMN Cc1ccccc1C[C@@H]1CCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839683432 644784702 /nfs/dbraw/zinc/78/47/02/644784702.db2.gz OKXJPUNNPDGYIE-RRFJBIMHSA-N 0 1 288.347 2.194 20 5 CEBDMN CC1(C)CN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC[C@@H]1C(F)(F)F ZINC000839732949 644785165 /nfs/dbraw/zinc/78/51/65/644785165.db2.gz GWRSUQQZMKONNF-HLTSFMKQSA-N 0 1 294.273 2.089 20 5 CEBDMN O=C(NC[C@@H]1CCC[C@H]1c1ccccc1)[C@@H]1CC1[N+](=O)[O-] ZINC000839781221 644815015 /nfs/dbraw/zinc/81/50/15/644815015.db2.gz JTVCUYHTXFVJEI-BYNSBNAKSA-N 0 1 288.347 2.352 20 5 CEBDMN O=C(OCCCOCC(F)(F)F)c1ccc([N+](=O)[O-])[nH]1 ZINC000764828457 645695692 /nfs/dbraw/zinc/69/56/92/645695692.db2.gz VNULNFFEKSYDEM-UHFFFAOYSA-N 0 1 296.201 2.049 20 5 CEBDMN CN(C)C1CN(C(=O)c2cc([N+](=O)[O-])cc3ccccc32)C1 ZINC000860481408 645802596 /nfs/dbraw/zinc/80/25/96/645802596.db2.gz LEOZDDXFUWYKHM-UHFFFAOYSA-N 0 1 299.330 2.134 20 5 CEBDMN CC(C)[C@@H]1N(C(=O)[C@@H]2CC2[N+](=O)[O-])CC12CCCCC2 ZINC000839800630 646157944 /nfs/dbraw/zinc/15/79/44/646157944.db2.gz XUVXFHGBMDAGPG-UPJWGTAASA-N 0 1 280.368 2.469 20 5 CEBDMN CO[C@]1(CN[C@H](C)c2c(F)cccc2[N+](=O)[O-])CCOC1 ZINC000872062213 649258316 /nfs/dbraw/zinc/25/83/16/649258316.db2.gz LAKGDYZIEFSDHA-YGRLFVJLSA-N 0 1 298.314 2.190 20 5 CEBDMN COc1cc(Cl)c(F)cc1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000888627064 649709196 /nfs/dbraw/zinc/70/91/96/649709196.db2.gz SBNBJKCPRMUPGV-MLUIRONXSA-N 0 1 288.662 2.091 20 5 CEBDMN CCSc1ccc(CNC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC000881488066 651741083 /nfs/dbraw/zinc/74/10/83/651741083.db2.gz OXRIFCLIBBPJMM-VXGBXAGGSA-N 0 1 280.349 2.080 20 5 CEBDMN CCN1CC[C@@H]1CNc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000882959705 652289646 /nfs/dbraw/zinc/28/96/46/652289646.db2.gz NXSKCWBOUHRZID-SNVBAGLBSA-N 0 1 295.339 2.118 20 5 CEBDMN CCN(CC)C(=O)CN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000134892485 652886508 /nfs/dbraw/zinc/88/65/08/652886508.db2.gz HGMMBPABXYHFEU-LLVKDONJSA-N 0 1 279.340 2.114 20 5 CEBDMN C[C@H]1CN(c2ncc(Cl)cc2[N+](=O)[O-])[C@@H](C)CN1C ZINC000408067843 719153204 /nfs/dbraw/zinc/15/32/04/719153204.db2.gz PIKFZQZMMHWWNW-IUCAKERBSA-N 0 1 284.747 2.172 20 5 CEBDMN Cc1c(C)c(N2C[C@H](C)N(C)C[C@@H]2C)ncc1[N+](=O)[O-] ZINC001164642610 719210386 /nfs/dbraw/zinc/21/03/86/719210386.db2.gz WUKLWGUWUNEXQP-UWVGGRQHSA-N 0 1 278.356 2.135 20 5 CEBDMN Cc1[nH]ncc1CNC(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000160400611 806870040 /nfs/dbraw/zinc/87/00/40/806870040.db2.gz DUZUVNFMYJFMAM-UHFFFAOYSA-N 0 1 294.698 2.210 20 5 CEBDMN O=[N+]([O-])c1cc(Nc2ccnc(CO)c2)ccc1F ZINC001211191292 802786799 /nfs/dbraw/zinc/78/67/99/802786799.db2.gz USWWDZODISNHKB-UHFFFAOYSA-N 0 1 263.228 2.365 20 5 CEBDMN C[C@H]1CN(Cc2cc(F)ccc2[N+](=O)[O-])C[C@@]1(C)CO ZINC000694696170 803580421 /nfs/dbraw/zinc/58/04/21/803580421.db2.gz XVGMNHCFDDSEPM-HZMBPMFUSA-N 0 1 282.315 2.184 20 5 CEBDMN O=C([C@@H]1CC1[N+](=O)[O-])N(Cc1ccccc1F)C1CCC1 ZINC001127103541 807026132 /nfs/dbraw/zinc/02/61/32/807026132.db2.gz ZOBWFMGDLPVXNF-TZMCWYRMSA-N 0 1 292.310 2.372 20 5 CEBDMN Cc1cc([N+](=O)[O-])cc(Nc2nccnc2CN)c1F ZINC001171448983 815141961 /nfs/dbraw/zinc/14/19/61/815141961.db2.gz GHJUGEPWHYSQHR-UHFFFAOYSA-N 0 1 277.259 2.035 20 5 CEBDMN O=[N+]([O-])C[C@@H]1CC[C@H](N2CC(OCc3ccccc3)C2)C1 ZINC001169027467 811339746 /nfs/dbraw/zinc/33/97/46/811339746.db2.gz QBENRFGDJNUXJU-CABCVRRESA-N 0 1 290.363 2.333 20 5 CEBDMN CN(Cc1cscn1)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169040364 811351106 /nfs/dbraw/zinc/35/11/06/811351106.db2.gz ZJPOKPIGGHRJLQ-MWLCHTKSSA-N 0 1 255.343 2.020 20 5 CEBDMN CC(C)CC[C@@H]1CCCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839703754 812393111 /nfs/dbraw/zinc/39/31/11/812393111.db2.gz JPBHLGOFRIVDEP-YNEHKIRRSA-N 0 1 268.357 2.469 20 5 CEBDMN CC[C@@](N)(CO)Nc1ccc(C(C)(C)C)cc1[N+](=O)[O-] ZINC001170864033 813562869 /nfs/dbraw/zinc/56/28/69/813562869.db2.gz QRPQHRLYYBWTFR-AWEZNQCLSA-N 0 1 281.356 2.362 20 5 CEBDMN Cc1ccc(C[N@@H+]2CC[C@H](C(=O)[O-])[C@H]2C)cc1[N+](=O)[O-] ZINC000714012516 814881739 /nfs/dbraw/zinc/88/17/39/814881739.db2.gz GOIFBBFVMOPUDK-PWSUYJOCSA-N 0 1 278.308 2.198 20 5 CEBDMN O=[N+]([O-])c1ccc(Nc2noc3nccnc23)cc1 ZINC001174476063 816018693 /nfs/dbraw/zinc/01/86/93/816018693.db2.gz YVHMHDHCMYGPRJ-UHFFFAOYSA-N 0 1 257.209 2.270 20 5 CEBDMN CN(Cc1cc(F)ccc1[N+](=O)[O-])CC1(O)CCCC1 ZINC000124334124 187132774 /nfs/dbraw/zinc/13/27/74/187132774.db2.gz KYGCKRCVNCAQTE-UHFFFAOYSA-N 0 1 282.315 2.471 20 5 CEBDMN CC[C@H](C(=O)Nc1ccc(C)c([N+](=O)[O-])c1)N(C)C ZINC000124426928 187136980 /nfs/dbraw/zinc/13/69/80/187136980.db2.gz DMTDDYRMXYGKLM-LLVKDONJSA-N 0 1 265.313 2.182 20 5 CEBDMN O=[N+]([O-])c1ccccc1/C=C\CN1CCC[C@H](O)C1 ZINC000033394662 361778436 /nfs/dbraw/zinc/77/84/36/361778436.db2.gz ZPHKJRKWWFKLKH-RJNRQISESA-N 0 1 262.309 2.065 20 5 CEBDMN O=C(N[C@@]12C[C@@H]1CCCC2)c1cc(O)cc([N+](=O)[O-])c1 ZINC000601776703 346895884 /nfs/dbraw/zinc/89/58/84/346895884.db2.gz RDCCFVSYMQIVQS-HZMBPMFUSA-N 0 1 276.292 2.363 20 5 CEBDMN C[C@@H]1CCc2c(=O)n(-c3ccc([N+](=O)[O-])cc3)[nH]c21 ZINC000601935744 346931431 /nfs/dbraw/zinc/93/14/31/346931431.db2.gz XIDQHDSVJNCOFJ-LDYMZIIASA-N 0 1 259.265 2.344 20 5 CEBDMN Cc1ccc([N+](=O)[O-])cc1-n1[nH]c([C@@H]2CCOC2)cc1=O ZINC000601935090 346931617 /nfs/dbraw/zinc/93/16/17/346931617.db2.gz HARBBPRVODPQJL-SNVBAGLBSA-N 0 1 289.291 2.032 20 5 CEBDMN Cc1c([N+](=O)[O-])cccc1-n1[nH]c(C2CC2)cc1=O ZINC000601938741 346933729 /nfs/dbraw/zinc/93/37/29/346933729.db2.gz IWMCMMFDNDTTHC-UHFFFAOYSA-N 0 1 259.265 2.406 20 5 CEBDMN CCN(CC(=O)Nc1cccc([N+](=O)[O-])c1C)C1CC1 ZINC000029912228 343402817 /nfs/dbraw/zinc/40/28/17/343402817.db2.gz FMSKPFKGMNCJDF-UHFFFAOYSA-N 0 1 277.324 2.326 20 5 CEBDMN CC[C@H](C(=O)[O-])[N@@H+](C)Cc1cccc([N+](=O)[O-])c1C ZINC000044623472 343476352 /nfs/dbraw/zinc/47/63/52/343476352.db2.gz CCPDNSBKRFWVHD-LLVKDONJSA-N 0 1 266.297 2.198 20 5 CEBDMN CC(C)N(CCOc1ccc([N+](=O)[O-])cc1)C1COC1 ZINC000295044645 199317138 /nfs/dbraw/zinc/31/71/38/199317138.db2.gz AEHFRCVBVDIDAY-UHFFFAOYSA-N 0 1 280.324 2.083 20 5 CEBDMN C[C@H](c1ccccc1[N+](=O)[O-])N1CCC(O)CC1 ZINC000075621130 343860198 /nfs/dbraw/zinc/86/01/98/343860198.db2.gz WWIDDMKADWKOBH-SNVBAGLBSA-N 0 1 250.298 2.113 20 5 CEBDMN COCC[C@@H](C)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088606496 344112344 /nfs/dbraw/zinc/11/23/44/344112344.db2.gz UDMOASULOODFMC-LLVKDONJSA-N 0 1 264.325 2.378 20 5 CEBDMN COc1ccc(CN2CCC[C@@H]([C@@H](C)O)C2)cc1[N+](=O)[O-] ZINC000089927357 344131336 /nfs/dbraw/zinc/13/13/36/344131336.db2.gz VMGHSXCBCIWFJI-DGCLKSJQSA-N 0 1 294.351 2.196 20 5 CEBDMN CCOC(=O)C(C)(C)N(C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000093359378 344221999 /nfs/dbraw/zinc/22/19/99/344221999.db2.gz GWULWNCTOGSYFB-UHFFFAOYSA-N 0 1 296.323 2.074 20 5 CEBDMN C[C@@H](O)C[C@H]1CCC[N@H+]1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000093482063 344225413 /nfs/dbraw/zinc/22/54/13/344225413.db2.gz ZQABMDDBNVOEGN-ZYHUDNBSSA-N 0 1 280.324 2.036 20 5 CEBDMN Cc1ccc([N+](=O)[O-])cc1-c1nc([C@H]2CCCN2)no1 ZINC000228560348 344560943 /nfs/dbraw/zinc/56/09/43/344560943.db2.gz LTOMINKOZCRIHJ-LLVKDONJSA-N 0 1 274.280 2.378 20 5 CEBDMN CCn1cc(CNCc2cccc([N+](=O)[O-])c2)cn1 ZINC000052926307 362475316 /nfs/dbraw/zinc/47/53/16/362475316.db2.gz RXMYQXFAYQGYHF-UHFFFAOYSA-N 0 1 260.297 2.101 20 5 CEBDMN O=[N+]([O-])c1ccc2oc(CNC3(CO)CCCC3)nc2c1 ZINC000305244655 344710068 /nfs/dbraw/zinc/71/00/68/344710068.db2.gz SJULOVZOBZLJEK-UHFFFAOYSA-N 0 1 291.307 2.131 20 5 CEBDMN O=[N+]([O-])c1ccc2oc(CNCCCF)nc2c1 ZINC000602566118 347081063 /nfs/dbraw/zinc/08/10/63/347081063.db2.gz DLKRQVUMOHJZTG-UHFFFAOYSA-N 0 1 253.233 2.185 20 5 CEBDMN O=C([O-])C[C@@H]1CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000054300335 362524295 /nfs/dbraw/zinc/52/42/95/362524295.db2.gz XCTFTNFYJDDPRE-NSHDSACASA-N 0 1 278.308 2.282 20 5 CEBDMN O=C(N[C@@H]1CCCC1(F)F)c1cc(O)cc([N+](=O)[O-])c1 ZINC000588787473 345055532 /nfs/dbraw/zinc/05/55/32/345055532.db2.gz GSNLRQMIFZOCOG-SNVBAGLBSA-N 0 1 286.234 2.218 20 5 CEBDMN CCN1CCCC[C@@H]1CNc1c(Cl)cncc1[N+](=O)[O-] ZINC000589114303 345066779 /nfs/dbraw/zinc/06/67/79/345066779.db2.gz WBSKPAJPFCVNAY-SNVBAGLBSA-N 0 1 298.774 2.351 20 5 CEBDMN CC/C=C\CNCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000590658983 345157089 /nfs/dbraw/zinc/15/70/89/345157089.db2.gz YJJLKTGORFKDPD-ARJAWSKDSA-N 0 1 278.308 2.422 20 5 CEBDMN CC[C@H](C(=O)[O-])[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1C ZINC000593333714 345468555 /nfs/dbraw/zinc/46/85/55/345468555.db2.gz ZKAVLEHADFMVST-GFCCVEGCSA-N 0 1 266.297 2.198 20 5 CEBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CC[C@@]2(CC2(F)F)C1 ZINC000593886135 345548103 /nfs/dbraw/zinc/54/81/03/345548103.db2.gz JTSZERMKCWMETA-GFCCVEGCSA-N 0 1 298.245 2.172 20 5 CEBDMN CC[C@H]1C[C@H](NCc2cc([N+](=O)[O-])ccc2OC)CO1 ZINC000594920957 345702619 /nfs/dbraw/zinc/70/26/19/345702619.db2.gz NHOHMCDOKAQAHL-AAEUAGOBSA-N 0 1 280.324 2.261 20 5 CEBDMN COc1cc([N+](=O)[O-])ccc1[C@@H](C)N[C@@H]1CCOC1 ZINC000595036131 345732378 /nfs/dbraw/zinc/73/23/78/345732378.db2.gz PNEKHHGCBDOFIV-NXEZZACHSA-N 0 1 266.297 2.043 20 5 CEBDMN Cc1noc(CN[C@@](C)(CO)C2CCCCC2)c1[N+](=O)[O-] ZINC000595334764 345764062 /nfs/dbraw/zinc/76/40/62/345764062.db2.gz VVXGSHDTWASRQM-AWEZNQCLSA-N 0 1 297.355 2.312 20 5 CEBDMN Cc1noc(CN(C(C)C)C2CCOCC2)c1[N+](=O)[O-] ZINC000595376485 345771270 /nfs/dbraw/zinc/77/12/70/345771270.db2.gz ITLRROOSRIOKDH-UHFFFAOYSA-N 0 1 283.328 2.281 20 5 CEBDMN CC[C@@]1(O)CCN(Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595448633 345785347 /nfs/dbraw/zinc/78/53/47/345785347.db2.gz LQIHZGJQRJDVLK-CYBMUJFWSA-N 0 1 268.288 2.081 20 5 CEBDMN C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[C@@]2(O)C[C@H]2C1 ZINC000595765426 345870235 /nfs/dbraw/zinc/87/02/35/345870235.db2.gz KYMZAKJZPJTFLG-SCDSUCTJSA-N 0 1 262.309 2.113 20 5 CEBDMN COc1ccc([N+](=O)[O-])cc1CN1C[C@@H](C)[C@@](C)(CO)C1 ZINC000595873715 345903816 /nfs/dbraw/zinc/90/38/16/345903816.db2.gz MTBFTSSCDMXWPJ-IAQYHMDHSA-N 0 1 294.351 2.054 20 5 CEBDMN Cc1ncc(CN(C)CCc2cccc([N+](=O)[O-])c2)n1C ZINC000597122300 346131424 /nfs/dbraw/zinc/13/14/24/346131424.db2.gz XLNIXYCIMPJSAE-UHFFFAOYSA-N 0 1 288.351 2.311 20 5 CEBDMN CC(=Cc1cccc([N+](=O)[O-])c1)C[N@@H+]1CCc2nn[nH]c2C1 ZINC000597250029 346162206 /nfs/dbraw/zinc/16/22/06/346162206.db2.gz QMSICAMYSFXAME-XFFZJAGNSA-N 0 1 299.334 2.175 20 5 CEBDMN CCCN1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])c(C)s2)C1 ZINC000598341913 346332097 /nfs/dbraw/zinc/33/20/97/346332097.db2.gz IEQPBOKDTGBTOS-SNVBAGLBSA-N 0 1 297.380 2.179 20 5 CEBDMN CC1(C)OC[C@@H]2C[C@@]21NCc1csc([N+](=O)[O-])c1 ZINC000598988380 346442670 /nfs/dbraw/zinc/44/26/70/346442670.db2.gz QTPBJMIAVMLHCL-JOYOIKCWSA-N 0 1 268.338 2.313 20 5 CEBDMN COC1(CNCc2nc3cc([N+](=O)[O-])ccc3o2)CCC1 ZINC000602602815 347096326 /nfs/dbraw/zinc/09/63/26/347096326.db2.gz BUYJEUFPFHHPSL-UHFFFAOYSA-N 0 1 291.307 2.395 20 5 CEBDMN Cc1[nH]nc(C(=O)N2CCCC3(CC3)CC2)c1[N+](=O)[O-] ZINC000600769724 346686998 /nfs/dbraw/zinc/68/69/98/346686998.db2.gz YWOOXWACQGUEPZ-UHFFFAOYSA-N 0 1 278.312 2.033 20 5 CEBDMN C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)CCn1cccn1 ZINC000064139258 362780804 /nfs/dbraw/zinc/78/08/04/362780804.db2.gz NMCIEFIEQQKJIV-LBPRGKRZSA-N 0 1 274.324 2.484 20 5 CEBDMN CO[C@H]1C[C@H](NCc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000602730586 347175210 /nfs/dbraw/zinc/17/52/10/347175210.db2.gz QYGTTZQNEHNYLQ-CZMCAQCFSA-N 0 1 277.280 2.003 20 5 CEBDMN CC[C@@]1(O)CCC[N@@H+](Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000602740966 347181318 /nfs/dbraw/zinc/18/13/18/347181318.db2.gz SOEQTBSGEUZESR-CQSZACIVSA-N 0 1 280.324 2.037 20 5 CEBDMN O=[N+]([O-])c1ccc(O)cc1CN1CCCCCO1 ZINC000603009668 347272062 /nfs/dbraw/zinc/27/20/62/347272062.db2.gz VFTIDPWIHZAFHY-UHFFFAOYSA-N 0 1 252.270 2.218 20 5 CEBDMN CC1(C)[C@H](O)C[C@H]1NCc1cc([N+](=O)[O-])ccc1Cl ZINC000129654490 365883135 /nfs/dbraw/zinc/88/31/35/365883135.db2.gz XGYASAUXALFXDW-VXGBXAGGSA-N 0 1 284.743 2.497 20 5 CEBDMN Cc1ccc(CN(C)CCn2c(C)ncc2[N+](=O)[O-])o1 ZINC000610782718 347714258 /nfs/dbraw/zinc/71/42/58/347714258.db2.gz PIZFQTPGDYRFNP-UHFFFAOYSA-N 0 1 278.312 2.133 20 5 CEBDMN CCOc1cc(N2CCN(C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000611297253 347763967 /nfs/dbraw/zinc/76/39/67/347763967.db2.gz LHGOMNBYUJHMMG-LLVKDONJSA-N 0 1 279.340 2.134 20 5 CEBDMN CC(C)c1[nH]nc(C(=O)N2CCC2(C)C)c1[N+](=O)[O-] ZINC000610923274 347722729 /nfs/dbraw/zinc/72/27/29/347722729.db2.gz LLFLTPNLDHOAFC-UHFFFAOYSA-N 0 1 266.301 2.066 20 5 CEBDMN O=C(Nc1cccc([N+](=O)[O-])c1)[C@H](C1CC1)N1CCCC1 ZINC000612652187 347912887 /nfs/dbraw/zinc/91/28/87/347912887.db2.gz ALEJDZCDXWYPOL-AWEZNQCLSA-N 0 1 289.335 2.408 20 5 CEBDMN C[C@]1(CO)CCCN1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000612745185 347923093 /nfs/dbraw/zinc/92/30/93/347923093.db2.gz BQUWPMVTCZLKAR-CQSZACIVSA-N 0 1 291.307 2.083 20 5 CEBDMN C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1C[C@H](C(=O)[O-])[C@H](C)C1 ZINC000086774726 179327970 /nfs/dbraw/zinc/32/79/70/179327970.db2.gz JANGLVJJJZFDCZ-SCVCMEIPSA-N 0 1 278.308 2.308 20 5 CEBDMN CN1CCCC(C)(C)[C@@H]1CNc1ncc([N+](=O)[O-])s1 ZINC000336924746 365952533 /nfs/dbraw/zinc/95/25/33/365952533.db2.gz KGDFNPPELVMVFI-VIFPVBQESA-N 0 1 284.385 2.006 20 5 CEBDMN O=[N+]([O-])c1cc(O)cc(-c2nc(Cc3ccncc3)no2)c1 ZINC000614420491 348198104 /nfs/dbraw/zinc/19/81/04/348198104.db2.gz XCGYRTQGVJTJRG-UHFFFAOYSA-N 0 1 298.258 2.336 20 5 CEBDMN CCNC(=O)[C@H](NCc1ccc(C)c([N+](=O)[O-])c1)C(C)C ZINC000339434697 215167134 /nfs/dbraw/zinc/16/71/34/215167134.db2.gz WMPQYRRQBQZNQF-CQSZACIVSA-N 0 1 293.367 2.154 20 5 CEBDMN COc1cc([N+](=O)[O-])ccc1CN1CCC[C@@H](CCO)C1 ZINC000619531342 349194709 /nfs/dbraw/zinc/19/47/09/349194709.db2.gz QAJFAWOVDISILD-LBPRGKRZSA-N 0 1 294.351 2.198 20 5 CEBDMN CC[C@H](C)N(C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000104686198 186013894 /nfs/dbraw/zinc/01/38/94/186013894.db2.gz ZUCMCYJEXCOFRR-NSHDSACASA-N 0 1 291.351 2.214 20 5 CEBDMN C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC(OCCO)CC1 ZINC000339783322 215338280 /nfs/dbraw/zinc/33/82/80/215338280.db2.gz QIZWSLZGSLVVCE-LBPRGKRZSA-N 0 1 294.351 2.129 20 5 CEBDMN C[C@H]1CC[N@@H+](Cc2csc([N+](=O)[O-])c2)C[C@H]1C(=O)[O-] ZINC000569120528 299182521 /nfs/dbraw/zinc/18/25/21/299182521.db2.gz XYKHOVBCHBLNBT-WCBMZHEXSA-N 0 1 284.337 2.199 20 5 CEBDMN CCN(Cc1cc(Cl)ccc1[N+](=O)[O-])[C@H](C)CO ZINC000292263724 198223052 /nfs/dbraw/zinc/22/30/52/198223052.db2.gz RPPAKNGBLLAHAV-SECBINFHSA-N 0 1 272.732 2.451 20 5 CEBDMN CC(C)[C@@H]1CCC[C@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000152445347 188019792 /nfs/dbraw/zinc/01/97/92/188019792.db2.gz XOYYPOFXJFCALX-ZJUUUORDSA-N 0 1 280.328 2.263 20 5 CEBDMN CCCC[C@@H]1CCC[C@@H]1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000132479844 366147958 /nfs/dbraw/zinc/14/79/58/366147958.db2.gz GWXMFJIGZKFHDK-ZJUUUORDSA-N 0 1 280.328 2.407 20 5 CEBDMN Cn1cnc([N+](=O)[O-])c1CN1C[C@H]2[C@@H]3CC[C@@H](C3)[C@@]2(C)C1 ZINC000452041272 283168346 /nfs/dbraw/zinc/16/83/46/283168346.db2.gz CDBUUCRWWNVBQO-OXJKWZBOSA-N 0 1 290.367 2.196 20 5 CEBDMN C[C@@H]1CN(c2ccc(F)cc2[N+](=O)[O-])C[C@@H](C)N1C ZINC000338792369 366524700 /nfs/dbraw/zinc/52/47/00/366524700.db2.gz GYKDHJMRNYMLBO-NXEZZACHSA-N 0 1 267.304 2.263 20 5 CEBDMN C[C@@H]1CCC[C@@H](CO)[N@H+]1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000339040355 366627875 /nfs/dbraw/zinc/62/78/75/366627875.db2.gz BBJUCOVJXZAXSE-PWSUYJOCSA-N 0 1 280.324 2.036 20 5 CEBDMN Cc1ccc([C@H](C)NC[C@@H](O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000151220560 366630678 /nfs/dbraw/zinc/63/06/78/366630678.db2.gz OUDJSICTZXCZRV-GZMMTYOYSA-N 0 1 292.257 2.477 20 5 CEBDMN C[C@H](NCC1(C)OCCO1)c1cccc([N+](=O)[O-])c1 ZINC000179568543 189203278 /nfs/dbraw/zinc/20/32/78/189203278.db2.gz OYMGBLXVNZXQON-JTQLQIEISA-N 0 1 266.297 2.008 20 5 CEBDMN CC[C@H](C)NC(=O)CN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180427410 189254908 /nfs/dbraw/zinc/25/49/08/189254908.db2.gz NLIWOQSQKJZYPY-WDEREUQCSA-N 0 1 279.340 2.160 20 5 CEBDMN CC1(CNC(=O)c2n[nH]cc2[N+](=O)[O-])CCCCCC1 ZINC000180912611 189283810 /nfs/dbraw/zinc/28/38/10/189283810.db2.gz IUASILLSYRHKAY-UHFFFAOYSA-N 0 1 280.328 2.408 20 5 CEBDMN CO[C@H](CNCc1ccc([N+](=O)[O-])cc1F)C1CC1 ZINC000339528230 366702165 /nfs/dbraw/zinc/70/21/65/366702165.db2.gz PUGZBSHDNVXAOF-CYBMUJFWSA-N 0 1 268.288 2.249 20 5 CEBDMN COCCCOCCN(C)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000181524120 189298949 /nfs/dbraw/zinc/29/89/49/189298949.db2.gz XMNJGWFHRLBLFV-UHFFFAOYSA-N 0 1 296.367 2.388 20 5 CEBDMN COc1cc(CN2C[C@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000339571493 366706882 /nfs/dbraw/zinc/70/68/82/366706882.db2.gz KHOXMVSEXOUDAQ-VHSXEESVSA-N 0 1 250.298 2.444 20 5 CEBDMN CCc1cc(C(=O)N(C)Cc2ccccc2[N+](=O)[O-])n[nH]1 ZINC000029829241 361691691 /nfs/dbraw/zinc/69/16/91/361691691.db2.gz RDJNFIZIUJPCHV-UHFFFAOYSA-N 0 1 288.307 2.153 20 5 CEBDMN C[C@H]1[C@H](C)N(Cc2c(F)cccc2[N+](=O)[O-])CCN1C ZINC000356977097 291300258 /nfs/dbraw/zinc/30/02/58/291300258.db2.gz CFEJEHCMCDEFMD-QWRGUYRKSA-N 0 1 281.331 2.258 20 5 CEBDMN CCC[N@@H+](CC(=O)[O-])Cc1ccc([N+](=O)[O-])c(OCC)c1 ZINC000582008375 366849136 /nfs/dbraw/zinc/84/91/36/366849136.db2.gz KVKVQILFLKNVTC-UHFFFAOYSA-N 0 1 296.323 2.290 20 5 CEBDMN CC1(C)CN(Cc2ccccc2[N+](=O)[O-])CC[C@H]1O ZINC000275376444 193012917 /nfs/dbraw/zinc/01/29/17/193012917.db2.gz ABGVKAFSHXHWKZ-CYBMUJFWSA-N 0 1 264.325 2.188 20 5 CEBDMN O=[N+]([O-])c1ccn(CCN2CCC[C@@H](C(F)(F)F)C2)n1 ZINC000176193212 368209860 /nfs/dbraw/zinc/20/98/60/368209860.db2.gz CLHQKLCCVFEELM-SECBINFHSA-N 0 1 292.261 2.066 20 5 CEBDMN O=C(Nc1ncccc1O)c1ccc(F)cc1[N+](=O)[O-] ZINC000180993856 368410420 /nfs/dbraw/zinc/41/04/20/368410420.db2.gz WJXIQWHXOADHAK-UHFFFAOYSA-N 0 1 277.211 2.087 20 5 CEBDMN CC(C)[C@@H]1CN(CCc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000330736576 203170614 /nfs/dbraw/zinc/17/06/14/203170614.db2.gz MFKNDXUPUSMOKS-HNNXBMFYSA-N 0 1 278.352 2.494 20 5 CEBDMN CCc1[nH]nc(C(=O)N(C)[C@@H](C)c2ccco2)c1[N+](=O)[O-] ZINC000188157497 369308625 /nfs/dbraw/zinc/30/86/25/369308625.db2.gz NDPVBRHSGCRQRE-QMMMGPOBSA-N 0 1 292.295 2.307 20 5 CEBDMN CC[C@]1(CO)CCCN1Cc1c(F)cccc1[N+](=O)[O-] ZINC000189612657 369547849 /nfs/dbraw/zinc/54/78/49/369547849.db2.gz JHKLIPRLLDLJRR-CQSZACIVSA-N 0 1 282.315 2.471 20 5 CEBDMN COCCO[C@H]1CCN([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000189677445 369557426 /nfs/dbraw/zinc/55/74/26/369557426.db2.gz UOQBUDOVDLPDPU-WFASDCNBSA-N 0 1 294.351 2.393 20 5 CEBDMN CC(C)[C@](C)(CO)NCc1c(F)cccc1[N+](=O)[O-] ZINC000352910220 369944888 /nfs/dbraw/zinc/94/48/88/369944888.db2.gz KNTHGUKYSHVYQL-ZDUSSCGKSA-N 0 1 270.304 2.231 20 5 CEBDMN Cc1cc(C(=O)N2CCN(C)CC[C@H]2C)cc([N+](=O)[O-])c1 ZINC000354009776 370176429 /nfs/dbraw/zinc/17/64/29/370176429.db2.gz VVNDNUAXBVPZGV-GFCCVEGCSA-N 0 1 291.351 2.069 20 5 CEBDMN C[N@H+]1CC[C@@H](CNc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000227889684 370388004 /nfs/dbraw/zinc/38/80/04/370388004.db2.gz JHJQHAIWZZOSDP-QMMMGPOBSA-N 0 1 271.267 2.237 20 5 CEBDMN CCOC(=O)[C@H](C)[C@@H](C)NCc1c(F)cccc1[N+](=O)[O-] ZINC000358836712 371241513 /nfs/dbraw/zinc/24/15/13/371241513.db2.gz ZGMNSQCXAMHMPS-NXEZZACHSA-N 0 1 298.314 2.411 20 5 CEBDMN C[C@H]1CN(CCCOc2ccc([N+](=O)[O-])cc2)[C@@H](C)CO1 ZINC000249744098 371358241 /nfs/dbraw/zinc/35/82/41/371358241.db2.gz BCZRPONZAYWBND-STQMWFEESA-N 0 1 294.351 2.473 20 5 CEBDMN COc1ccc([N+](=O)[O-])c(N2CCN3CCCC[C@@H]3C2)c1 ZINC000266395215 372045222 /nfs/dbraw/zinc/04/52/22/372045222.db2.gz OOLLEMCWDIWDDL-GFCCVEGCSA-N 0 1 291.351 2.278 20 5 CEBDMN O=C(Nc1cccc([N+](=O)[O-])c1)[C@H]1CCCc2cn[nH]c21 ZINC000362427523 372359603 /nfs/dbraw/zinc/35/96/03/372359603.db2.gz DBJDWPNPHTZZEH-LBPRGKRZSA-N 0 1 286.291 2.377 20 5 CEBDMN C[C@H](c1cccc([N+](=O)[O-])c1)N1C[C@@H](O)C2(CC2)C1 ZINC000364316415 372725204 /nfs/dbraw/zinc/72/52/04/372725204.db2.gz LZRCLESJESUAKJ-ZWNOBZJWSA-N 0 1 262.309 2.113 20 5 CEBDMN O=C(N[C@H](c1ccccn1)C1CCCC1)[C@H]1CC1[N+](=O)[O-] ZINC000365584681 372898756 /nfs/dbraw/zinc/89/87/56/372898756.db2.gz MINYZWOAQOYEDF-YUTCNCBUSA-N 0 1 289.335 2.094 20 5 CEBDMN C[C@@H]1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])[C@H]1c1cccc(F)c1 ZINC000365774757 372930425 /nfs/dbraw/zinc/93/04/25/372930425.db2.gz YFCCGCFRMQCWMI-WBMYTEFPSA-N 0 1 292.310 2.400 20 5 CEBDMN COC(=O)[C@@H]1CCN(C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000271078673 373108184 /nfs/dbraw/zinc/10/81/84/373108184.db2.gz IBTBVGHCWFFDGD-DIECRNLCSA-N 0 1 290.319 2.103 20 5 CEBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000369183762 373354068 /nfs/dbraw/zinc/35/40/68/373354068.db2.gz MNSNDWVSVUYKHU-RAIGVLPGSA-N 0 1 294.738 2.321 20 5 CEBDMN O=C([C@H]1CC1[N+](=O)[O-])N1CCC2(C1)CCCCCC2 ZINC000370215973 373606227 /nfs/dbraw/zinc/60/62/27/373606227.db2.gz NIEXRKXQNVCNFR-NWDGAFQWSA-N 0 1 266.341 2.225 20 5 CEBDMN O=C(NCc1ccc(-c2ccncc2)cc1)[C@@H]1CC1[N+](=O)[O-] ZINC000372660514 374175603 /nfs/dbraw/zinc/17/56/03/374175603.db2.gz PQEAZRWNZXNFMN-CABCVRRESA-N 0 1 297.314 2.030 20 5 CEBDMN CCOc1cc(CN(C)CC[C@@H](C)O)ccc1[N+](=O)[O-] ZINC000276836375 374320251 /nfs/dbraw/zinc/32/02/51/374320251.db2.gz BOWONQJIDLDWBS-LLVKDONJSA-N 0 1 282.340 2.196 20 5 CEBDMN CCOC[C@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)C(C)C ZINC000276865796 374328856 /nfs/dbraw/zinc/32/88/56/374328856.db2.gz KRCDEWIERRUZGB-ZDUSSCGKSA-N 0 1 296.323 2.091 20 5 CEBDMN C[C@H](c1cccc([N+](=O)[O-])c1)N1C[C@H](O)C(C)(C)C1 ZINC000279710029 374962329 /nfs/dbraw/zinc/96/23/29/374962329.db2.gz HWIGJVFNZJMOFB-MFKMUULPSA-N 0 1 264.325 2.359 20 5 CEBDMN C[C@H]1[C@H](CO)CCN1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000385911600 375250000 /nfs/dbraw/zinc/25/00/00/375250000.db2.gz RCAHKWDARZRECY-ONGXEEELSA-N 0 1 284.743 2.451 20 5 CEBDMN C[C@@H]1C[C@@H](C)CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000408377298 375465673 /nfs/dbraw/zinc/46/56/73/375465673.db2.gz ZVXYCBJWHCLDDD-NXEZZACHSA-N 0 1 278.308 2.419 20 5 CEBDMN Cn1cnc([N+](=O)[O-])c1CN1CCCC(C)(C)CC1 ZINC000408310212 375449406 /nfs/dbraw/zinc/44/94/06/375449406.db2.gz QVGWDRPOPHSEQS-UHFFFAOYSA-N 0 1 266.345 2.340 20 5 CEBDMN COC[C@H](NCc1ccc([N+](=O)[O-])c(F)c1)[C@H]1CCCO1 ZINC000282609059 375529189 /nfs/dbraw/zinc/52/91/89/375529189.db2.gz YQODGMBOQIEKIA-GXTWGEPZSA-N 0 1 298.314 2.018 20 5 CEBDMN COc1cc(CN2[C@H](C)CCC[C@H]2CO)ccc1[N+](=O)[O-] ZINC000305878407 376524810 /nfs/dbraw/zinc/52/48/10/376524810.db2.gz SNHNIRLKUFSTTP-YPMHNXCESA-N 0 1 294.351 2.339 20 5 CEBDMN Cc1[nH]nc(C(=O)N([C@@H](C)C(C)C)C2CC2)c1[N+](=O)[O-] ZINC000264258586 190100008 /nfs/dbraw/zinc/10/00/08/190100008.db2.gz OUWHGPGQCBCYBZ-VIFPVBQESA-N 0 1 280.328 2.275 20 5 CEBDMN C[C@@]1(NCc2ccc([N+](=O)[O-])cc2F)CCCOC1 ZINC000311841529 376689104 /nfs/dbraw/zinc/68/91/04/376689104.db2.gz GZROEEYPVZNBSS-CYBMUJFWSA-N 0 1 268.288 2.393 20 5 CEBDMN COC[C@@H]1C[C@@H](OC)CN1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000330514073 377166513 /nfs/dbraw/zinc/16/65/13/377166513.db2.gz DJAWUMMAEIAVTC-UONOGXRCSA-N 0 1 294.351 2.139 20 5 CEBDMN Cc1noc([C@H]2CCN(Cc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000332078225 377512033 /nfs/dbraw/zinc/51/20/33/377512033.db2.gz HEUIJIZDGMHPGA-LBPRGKRZSA-N 0 1 288.307 2.276 20 5 CEBDMN CC(C)SCCN1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000332656523 377656772 /nfs/dbraw/zinc/65/67/72/377656772.db2.gz AORBMYDANQFMNM-UHFFFAOYSA-N 0 1 281.381 2.490 20 5 CEBDMN CC[C@H](C)CONC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000293625803 377663581 /nfs/dbraw/zinc/66/35/81/377663581.db2.gz DZXQWVYXJWSQRY-QMMMGPOBSA-N 0 1 292.295 2.179 20 5 CEBDMN CC(C)[N@@H+](C)CC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000295427624 378152540 /nfs/dbraw/zinc/15/25/40/378152540.db2.gz ULNTZYNGQFOIQX-NSHDSACASA-N 0 1 279.340 2.112 20 5 CEBDMN CN(CC(=O)Nc1ccccc1[N+](=O)[O-])C(C)(C)C ZINC000519550388 379434236 /nfs/dbraw/zinc/43/42/36/379434236.db2.gz XBCDTZOGGNAKPJ-UHFFFAOYSA-N 0 1 265.313 2.264 20 5 CEBDMN COCCN(Cc1cccc([N+](=O)[O-])c1)[C@@H]1CCO[C@H]1C ZINC000489436157 380188748 /nfs/dbraw/zinc/18/87/48/380188748.db2.gz LSXXLMVEGNBTCK-SWLSCSKDSA-N 0 1 294.351 2.221 20 5 CEBDMN C[C@H]1CN(C)CCN1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000493030977 380771741 /nfs/dbraw/zinc/77/17/41/380771741.db2.gz HNPIROOMSBAABT-JTQLQIEISA-N 0 1 283.759 2.384 20 5 CEBDMN O=[N+]([O-])c1cccc(Cl)c1CN1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000252862782 285154037 /nfs/dbraw/zinc/15/40/37/285154037.db2.gz KTVQUBDJRUKSJA-BHDSKKPTSA-N 0 1 296.754 2.451 20 5 CEBDMN CCn1c(C)nc([N+](=O)[O-])c1N[C@@H](C)Cc1cc(C)n[nH]1 ZINC000288864728 197181523 /nfs/dbraw/zinc/18/15/23/197181523.db2.gz LIJNPXBIVLDADY-QMMMGPOBSA-N 0 1 292.343 2.194 20 5 CEBDMN Cc1cc([N+](=O)[O-])ccc1CN1CC[C@]12CCOC2 ZINC000421400016 394524049 /nfs/dbraw/zinc/52/40/49/394524049.db2.gz JIRMMMHQYBDGGR-CQSZACIVSA-N 0 1 262.309 2.268 20 5 CEBDMN CC(C)c1[nH]nc(C(=O)N2CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC000269328388 394717185 /nfs/dbraw/zinc/71/71/85/394717185.db2.gz LSNYCJBDZBSGPN-VIFPVBQESA-N 0 1 280.328 2.456 20 5 CEBDMN O=C(NCc1ccc(F)c(Cl)c1)c1n[nH]cc1[N+](=O)[O-] ZINC000130679263 394893456 /nfs/dbraw/zinc/89/34/56/394893456.db2.gz ZCIKNMDNRIOJBR-UHFFFAOYSA-N 0 1 298.661 2.040 20 5 CEBDMN CCn1nccc1CN(C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339132127 394945439 /nfs/dbraw/zinc/94/54/39/394945439.db2.gz YKJOSLVYFWNIEP-UHFFFAOYSA-N 0 1 290.323 2.149 20 5 CEBDMN Cc1cnc(OCc2nc(C(C)C)n[nH]2)c([N+](=O)[O-])c1 ZINC000291679576 395151749 /nfs/dbraw/zinc/15/17/49/395151749.db2.gz MZAQDYUBVCSWFP-UHFFFAOYSA-N 0 1 277.284 2.119 20 5 CEBDMN Cc1cnc(OCc2n[nH]c(C(C)C)n2)c([N+](=O)[O-])c1 ZINC000291679576 395151751 /nfs/dbraw/zinc/15/17/51/395151751.db2.gz MZAQDYUBVCSWFP-UHFFFAOYSA-N 0 1 277.284 2.119 20 5 CEBDMN COC[C@H](NCc1cc(OC)c(F)cc1[N+](=O)[O-])C1CC1 ZINC000184318657 395272177 /nfs/dbraw/zinc/27/21/77/395272177.db2.gz ZZOQOGYBUUFTAJ-LBPRGKRZSA-N 0 1 298.314 2.257 20 5 CEBDMN Cc1cc2[nH]ncc2cc1NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000360429367 155297201 /nfs/dbraw/zinc/29/72/01/155297201.db2.gz RJRQRADSAFHQGP-UHFFFAOYSA-N 0 1 285.263 2.360 20 5 CEBDMN CC(C)NC(=O)[C@H](C)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000228930035 153372058 /nfs/dbraw/zinc/37/20/58/153372058.db2.gz OGXMTGLHASCVIT-MNOVXSKESA-N 0 1 279.340 2.159 20 5 CEBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@H]1c1ccccc1 ZINC000363323488 156022663 /nfs/dbraw/zinc/02/26/63/156022663.db2.gz ZHBJAYMPHUZYCS-FRRDWIJNSA-N 0 1 260.293 2.015 20 5 CEBDMN O=C(NCc1ccc(-c2cccnc2)cc1)[C@H]1CC1[N+](=O)[O-] ZINC000363571889 156028172 /nfs/dbraw/zinc/02/81/72/156028172.db2.gz WKXFFGVPJYSYES-GJZGRUSLSA-N 0 1 297.314 2.030 20 5 CEBDMN CC(=O)c1cc(N2CCN3CCC2CC3)ccc1[N+](=O)[O-] ZINC000376473246 157227565 /nfs/dbraw/zinc/22/75/65/157227565.db2.gz HBNGQYVPMSOINX-UHFFFAOYSA-N 0 1 289.335 2.082 20 5 CEBDMN CC(C)(C)[C@@H](CO)NCc1c(F)cc([N+](=O)[O-])cc1F ZINC000285297310 196244191 /nfs/dbraw/zinc/24/41/91/196244191.db2.gz LRUFWQVTWSCTEO-GFCCVEGCSA-N 0 1 288.294 2.370 20 5 CEBDMN CC(C)[C@@H](N)c1noc(-c2ccccc2[N+](=O)[O-])n1 ZINC000041123352 174487947 /nfs/dbraw/zinc/48/79/47/174487947.db2.gz FFYDRAVFTYJIRJ-SNVBAGLBSA-N 0 1 262.269 2.301 20 5 CEBDMN Cc1[nH]nc2cc(NC(=O)c3cc([N+](=O)[O-])c[nH]3)ccc12 ZINC000354990607 227291768 /nfs/dbraw/zinc/29/17/68/227291768.db2.gz STDBACJPVRYRCE-UHFFFAOYSA-N 0 1 285.263 2.360 20 5 CEBDMN Cc1[nH]nc2cc(NC(=O)c3ccc([N+](=O)[O-])n3C)ccc12 ZINC000354999109 227299473 /nfs/dbraw/zinc/29/94/73/227299473.db2.gz HJXQEKKLKPPYQF-UHFFFAOYSA-N 0 1 299.290 2.370 20 5 CEBDMN C[C@@H]1NC(=O)CC[C@@H]1NCc1c(Cl)cccc1[N+](=O)[O-] ZINC000392896219 270341308 /nfs/dbraw/zinc/34/13/08/270341308.db2.gz CXVPTPYPOJVFJO-KWQFWETISA-N 0 1 297.742 2.005 20 5 CEBDMN COc1cc([N+](=O)[O-])ccc1CN1CCC[C@H](C)[C@H]1CO ZINC000430225564 271365630 /nfs/dbraw/zinc/36/56/30/271365630.db2.gz YJLSMLQFZQWQAY-SMDDNHRTSA-N 0 1 294.351 2.196 20 5 CEBDMN COCCCCN1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000074328203 274018789 /nfs/dbraw/zinc/01/87/89/274018789.db2.gz SXVPSAUKOAYNKZ-UHFFFAOYSA-N 0 1 293.367 2.143 20 5 CEBDMN CC(C)c1[nH]nc(C(=O)N2[C@H](C)CC[C@H]2C)c1[N+](=O)[O-] ZINC000408400653 278001634 /nfs/dbraw/zinc/00/16/34/278001634.db2.gz VUKVNOCIBNAQKU-RKDXNWHRSA-N 0 1 280.328 2.454 20 5 CEBDMN CC(C)c1ccc(CN2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000127859416 278036185 /nfs/dbraw/zinc/03/61/85/278036185.db2.gz PGUZILBSXJRRMX-UHFFFAOYSA-N 0 1 277.368 2.466 20 5 CEBDMN C[C@H]1CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C[C@@H]1C ZINC000272598547 278411059 /nfs/dbraw/zinc/41/10/59/278411059.db2.gz XEZIKBUIYMKJAN-IUCAKERBSA-N 0 1 264.281 2.028 20 5 CEBDMN C[C@H]1c2ccccc2CCN1CCn1ccc([N+](=O)[O-])n1 ZINC000176235647 280126261 /nfs/dbraw/zinc/12/62/61/280126261.db2.gz COJSRFDMAIAMML-LBPRGKRZSA-N 0 1 286.335 2.411 20 5 CEBDMN C[C@H]1c2ccsc2CCN1CCn1ccc([N+](=O)[O-])n1 ZINC000358281192 280136334 /nfs/dbraw/zinc/13/63/34/280136334.db2.gz YZYVXDTYTGVPIO-JTQLQIEISA-N 0 1 292.364 2.472 20 5 CEBDMN CCN(C)C(=O)CN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000181841441 520175790 /nfs/dbraw/zinc/17/57/90/520175790.db2.gz PPATYOQEEXSWSQ-LLVKDONJSA-N 0 1 279.340 2.032 20 5 CEBDMN O=[N+]([O-])c1ccc(CN2CC[C@]3(CCOC3)C2)cc1F ZINC000365285670 527349525 /nfs/dbraw/zinc/34/95/25/527349525.db2.gz ABMNOVPIYPXIGF-AWEZNQCLSA-N 0 1 280.299 2.346 20 5 CEBDMN COc1ccc([N+](=O)[O-])cc1CN1[C@H](C)CC(O)C[C@H]1C ZINC000191268488 536952093 /nfs/dbraw/zinc/95/20/93/536952093.db2.gz RDYDYVJVRXNPOS-GHMZBOCLSA-N 0 1 294.351 2.337 20 5 CEBDMN CN(Cn1ncc2cc([N+](=O)[O-])ccc21)[C@@H]1CCSC1 ZINC000125219765 649873619 /nfs/dbraw/zinc/87/36/19/649873619.db2.gz IPWOFQOFQVVRAY-GFCCVEGCSA-N 0 1 292.364 2.339 20 5 CEBDMN O=C(Nc1nc(C2CC2)no1)c1csc([N+](=O)[O-])c1 ZINC000734879602 574734007 /nfs/dbraw/zinc/73/40/07/574734007.db2.gz PCNGVMPIZYZTRW-UHFFFAOYSA-N 0 1 280.265 2.169 20 5 CEBDMN C[C@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2)CC[C@@H]1NC(=O)[O-] ZINC000739191555 574898760 /nfs/dbraw/zinc/89/87/60/574898760.db2.gz PNRNDEQDRNTUQS-GWCFXTLKSA-N 0 1 293.323 2.073 20 5 CEBDMN C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H]1CCN(C(=O)[O-])C1 ZINC000739716890 574932251 /nfs/dbraw/zinc/93/22/51/574932251.db2.gz WFARYBDNIKMNOF-NSHDSACASA-N 0 1 293.323 2.027 20 5 CEBDMN CN(Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1)C1CCC1 ZINC000742172847 575007891 /nfs/dbraw/zinc/00/78/91/575007891.db2.gz HOHNDZTZZKHXGM-UHFFFAOYSA-N 0 1 287.323 2.295 20 5 CEBDMN O=C([O-])[C@@H]1CC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000821511645 598129523 /nfs/dbraw/zinc/12/95/23/598129523.db2.gz OCJJLZJHADWTLT-OGOUPESXSA-N 0 1 276.292 2.015 20 5 CEBDMN C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)C(C)(C)C(=O)[O-] ZINC000830874719 601316760 /nfs/dbraw/zinc/31/67/60/601316760.db2.gz KCTBWXRXSCCVSV-UHFFFAOYSA-N 0 1 293.279 2.031 20 5 CEBDMN C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)C(C)(C)C(=O)[O-] ZINC000830874719 601316762 /nfs/dbraw/zinc/31/67/62/601316762.db2.gz KCTBWXRXSCCVSV-UHFFFAOYSA-N 0 1 293.279 2.031 20 5 CEBDMN CCN1CCN(c2ccc([N+](=O)[O-])cc2F)[C@H](C)C1 ZINC000804795403 622967628 /nfs/dbraw/zinc/96/76/28/622967628.db2.gz QOKMSSWQUGSJNM-SNVBAGLBSA-N 0 1 267.304 2.264 20 5 CEBDMN COc1c(O)ccc(C[N@H+]2CCC[C@H]2C)c1[N+](=O)[O-] ZINC000892012128 624249328 /nfs/dbraw/zinc/24/93/28/624249328.db2.gz AISAPUGTYFLUPF-SECBINFHSA-N 0 1 266.297 2.293 20 5 CEBDMN COc1c(O)ccc(CN2CCC[C@H]2C)c1[N+](=O)[O-] ZINC000892012128 624249330 /nfs/dbraw/zinc/24/93/30/624249330.db2.gz AISAPUGTYFLUPF-SECBINFHSA-N 0 1 266.297 2.293 20 5 CEBDMN C[C@H](O)CN(C)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000051819815 624602809 /nfs/dbraw/zinc/60/28/09/624602809.db2.gz OTUXZARZUKWEDL-QMMMGPOBSA-N 0 1 258.705 2.061 20 5 CEBDMN O=[N+]([O-])c1ccc(F)cc1CN1CCC[C@H](CO)CC1 ZINC000293264417 627620885 /nfs/dbraw/zinc/62/08/85/627620885.db2.gz UPUFGQRDLZESBN-NSHDSACASA-N 0 1 282.315 2.328 20 5 CEBDMN CC(C)C1(C(=O)OCc2cc(O)ccc2[N+](=O)[O-])COC1 ZINC000924204144 628820949 /nfs/dbraw/zinc/82/09/49/628820949.db2.gz WWHQOVLOJBRHDX-UHFFFAOYSA-N 0 1 295.291 2.016 20 5 CEBDMN O=C(OCc1cccc(C(F)F)c1)[C@@H]1CC1[N+](=O)[O-] ZINC000840672591 629316501 /nfs/dbraw/zinc/31/65/01/629316501.db2.gz CGEXQXIDTVDWBT-NXEZZACHSA-N 0 1 271.219 2.333 20 5 CEBDMN C[C@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccccc1F ZINC000840673080 629348669 /nfs/dbraw/zinc/34/86/69/629348669.db2.gz QOQMVVCEZWBYEE-JVUFJMBOSA-N 0 1 253.229 2.095 20 5 CEBDMN O=[N+]([O-])c1cc(F)c(CN[C@@H](CCO)C2CC2)c(F)c1 ZINC000795994167 629732966 /nfs/dbraw/zinc/73/29/66/629732966.db2.gz PTEJQXKFQVALOZ-ZDUSSCGKSA-N 0 1 286.278 2.124 20 5 CEBDMN COc1c(O)ccc(CN2CC[C@H]3C[C@H]3C2)c1[N+](=O)[O-] ZINC000895434253 630183240 /nfs/dbraw/zinc/18/32/40/630183240.db2.gz UKOSZLWRDBFAAV-ONGXEEELSA-N 0 1 278.308 2.151 20 5 CEBDMN COC[C@H]1C[C@@H](NCc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000895623444 630277404 /nfs/dbraw/zinc/27/74/04/630277404.db2.gz SPXAGWNECSIDMQ-AOOOYVTPSA-N 0 1 291.307 2.251 20 5 CEBDMN CC(=O)c1c(N[C@H]2CCN(C)[C@H]2C)cccc1[N+](=O)[O-] ZINC000895734234 630324922 /nfs/dbraw/zinc/32/49/22/630324922.db2.gz KVRIQBADDMOMDK-ONGXEEELSA-N 0 1 277.324 2.302 20 5 CEBDMN CN1CC[C@H]1CNc1ncc([N+](=O)[O-])c2ccccc21 ZINC000895767369 630337002 /nfs/dbraw/zinc/33/70/02/630337002.db2.gz LXRFEPGIOPRFED-JTQLQIEISA-N 0 1 272.308 2.259 20 5 CEBDMN CN(CCCO)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000799739951 631074456 /nfs/dbraw/zinc/07/44/56/631074456.db2.gz SGPSYWGDNWLUEB-UHFFFAOYSA-N 0 1 258.705 2.062 20 5 CEBDMN Cc1cc(CNc2c([N+](=O)[O-])cccc2[N+](=O)[O-])n[nH]1 ZINC000804456593 631686479 /nfs/dbraw/zinc/68/64/79/631686479.db2.gz CTNGORVQUTWTPE-UHFFFAOYSA-N 0 1 277.240 2.147 20 5 CEBDMN Cc1nc([C@H](C)OC(=O)c2ccc(F)cc2[N+](=O)[O-])n[nH]1 ZINC000840286229 632658225 /nfs/dbraw/zinc/65/82/25/632658225.db2.gz IVVXGXPURQLBHY-LURJTMIESA-N 0 1 294.242 2.078 20 5 CEBDMN O=[N+]([O-])c1ccc(Cn2cc([C@H]3CCCCN3)nn2)cc1 ZINC000899706199 632961640 /nfs/dbraw/zinc/96/16/40/632961640.db2.gz MIMYMUMNTKPIEQ-CYBMUJFWSA-N 0 1 287.323 2.049 20 5 CEBDMN CC[C@@](C)(NC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccccc1 ZINC000840330715 632990153 /nfs/dbraw/zinc/99/01/53/632990153.db2.gz ZNWJFSPGZSMMEA-YRGRVCCFSA-N 0 1 262.309 2.093 20 5 CEBDMN CC(C)c1ccc(OCCNCC[N+](=O)[O-])cc1 ZINC000899870266 633063768 /nfs/dbraw/zinc/06/37/68/633063768.db2.gz HBUUMNJBNAVGML-UHFFFAOYSA-N 0 1 252.314 2.055 20 5 CEBDMN O=C(O[C@@H]1CCC[C@H]1n1cccn1)c1ccc([N+](=O)[O-])[nH]1 ZINC000817754469 633737347 /nfs/dbraw/zinc/73/73/47/633737347.db2.gz CLMAKSJRXXJXRZ-GHMZBOCLSA-N 0 1 290.279 2.070 20 5 CEBDMN O=C(Nc1ccc(F)cc1OC(F)F)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000840366717 633971128 /nfs/dbraw/zinc/97/11/28/633971128.db2.gz JKVPPKIQMPJCNT-HTRCEHHLSA-N 0 1 290.197 2.031 20 5 CEBDMN C[C@H](C[N@@H+](C)Cc1ccc([N+](=O)[O-])c(Cl)c1)C(=O)[O-] ZINC000901598180 634205493 /nfs/dbraw/zinc/20/54/93/634205493.db2.gz UNWFOEHWEUPBDX-MRVPVSSYSA-N 0 1 286.715 2.401 20 5 CEBDMN CC(C)N1CCC[C@@H]1C(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000901715590 634273247 /nfs/dbraw/zinc/27/32/47/634273247.db2.gz RWGGGGPLROTRAA-CQSZACIVSA-N 0 1 291.351 2.430 20 5 CEBDMN CC[C@@H]1CN(C)CCN1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000823194508 635093332 /nfs/dbraw/zinc/09/33/32/635093332.db2.gz GLEQBVKMECVZLH-GFCCVEGCSA-N 0 1 281.331 2.260 20 5 CEBDMN C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H]2[C@@H](C1)[C@H]2C(=O)[O-] ZINC000903627103 635189179 /nfs/dbraw/zinc/18/91/79/635189179.db2.gz DJTPNKBDGZPWCL-PCDDKUFXSA-N 0 1 290.319 2.308 20 5 CEBDMN C[C@H](C[S@](C)=O)NCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000168850288 639585896 /nfs/dbraw/zinc/58/58/96/639585896.db2.gz RIRIHXQKXVZSSY-NTCNTBNZSA-N 0 1 290.772 2.105 20 5 CEBDMN C[C@H]1CN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CCN1 ZINC000841010233 639616169 /nfs/dbraw/zinc/61/61/69/639616169.db2.gz DHDZHNPISOBRIV-QMMMGPOBSA-N 0 1 298.730 2.074 20 5 CEBDMN CCSc1ccccc1OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000841121027 639684371 /nfs/dbraw/zinc/68/43/71/639684371.db2.gz NZKIAKHSWBZTMK-RKDXNWHRSA-N 0 1 267.306 2.369 20 5 CEBDMN Cc1c(F)ccc(Cl)c1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000841209295 639707233 /nfs/dbraw/zinc/70/72/33/639707233.db2.gz OVASYMHLBAPASF-HZGVNTEJSA-N 0 1 272.663 2.391 20 5 CEBDMN C[C@@H]1CCC[C@H](C)CN1Cn1cc([N+](=O)[O-])cn1 ZINC000172918418 639827167 /nfs/dbraw/zinc/82/71/67/639827167.db2.gz YQXJUMAJLUFZPA-WDEREUQCSA-N 0 1 252.318 2.259 20 5 CEBDMN C[C@@H]1CCC[C@H](C)N(Cn2nccc2[N+](=O)[O-])C1 ZINC000172919223 639827972 /nfs/dbraw/zinc/82/79/72/639827972.db2.gz DVAHYBMWVJSWMX-MNOVXSKESA-N 0 1 252.318 2.259 20 5 CEBDMN COCCCCN(C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000841894620 639901484 /nfs/dbraw/zinc/90/14/84/639901484.db2.gz RVGVZTRAPDIJNF-UHFFFAOYSA-N 0 1 297.311 2.361 20 5 CEBDMN CC(C)[C@H](Cc1ccccc1)OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000842337229 640020392 /nfs/dbraw/zinc/02/03/92/640020392.db2.gz BAHCQOZSGHFQSN-MCIONIFRSA-N 0 1 277.320 2.462 20 5 CEBDMN O=C(O[C@H]1CCCOc2c(F)cccc21)[C@@H]1CC1[N+](=O)[O-] ZINC000842349597 640024767 /nfs/dbraw/zinc/02/47/67/640024767.db2.gz ZMDNGIMXSSFSRQ-JLLWLGSASA-N 0 1 295.266 2.248 20 5 CEBDMN C[C@H]1CN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])C[C@H](C)N1 ZINC000153586303 640552043 /nfs/dbraw/zinc/55/20/43/640552043.db2.gz XFISNFBKFOFRKO-IUCAKERBSA-N 0 1 297.742 2.071 20 5 CEBDMN O=C(OCCCc1c(F)cccc1F)[C@@H]1CC1[N+](=O)[O-] ZINC000847773991 641767292 /nfs/dbraw/zinc/76/72/92/641767292.db2.gz CHJNCCMOQAPYCU-BXKDBHETSA-N 0 1 285.246 2.106 20 5 CEBDMN O=C(OCC[C@H]1CCc2ccccc21)[C@@H]1CC1[N+](=O)[O-] ZINC000849806876 642472256 /nfs/dbraw/zinc/47/22/56/642472256.db2.gz KMKKXJBJMQVSPH-MRVWCRGKSA-N 0 1 275.304 2.315 20 5 CEBDMN CCN1CCC[C@@H](NCc2ccc(C)c([N+](=O)[O-])c2)C1=O ZINC000922638951 643171904 /nfs/dbraw/zinc/17/19/04/643171904.db2.gz LOTRIVSVDUMDIA-CYBMUJFWSA-N 0 1 291.351 2.004 20 5 CEBDMN CC(C)CNC(=O)[C@H](C)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000228977434 643380750 /nfs/dbraw/zinc/38/07/50/643380750.db2.gz WUFKVRIGBOCUEM-NEPJUHHUSA-N 0 1 293.367 2.406 20 5 CEBDMN C[C@@H](O)[C@H]1CCCN1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000852558760 643472347 /nfs/dbraw/zinc/47/23/47/643472347.db2.gz MLXSDSSWTNNVSW-BXKDBHETSA-N 0 1 268.288 2.079 20 5 CEBDMN COC(=O)[C@H]1C[C@@H](N(C)Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000852695608 643515913 /nfs/dbraw/zinc/51/59/13/643515913.db2.gz CRQSFYFJWXDDNW-PHIMTYICSA-N 0 1 296.298 2.117 20 5 CEBDMN CC[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccc(C)cc1 ZINC000839454899 644235959 /nfs/dbraw/zinc/23/59/59/644235959.db2.gz LUBPWLYABFDGMK-JHJVBQTASA-N 0 1 262.309 2.228 20 5 CEBDMN Cc1cc(CC(=O)O[C@@H](C)c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000756249081 644620064 /nfs/dbraw/zinc/62/00/64/644620064.db2.gz ASHPDUCRPPOHFX-JTQLQIEISA-N 0 1 289.291 2.473 20 5 CEBDMN Cc1cc(CC(=O)OCc2c(F)cccc2[N+](=O)[O-])n[nH]1 ZINC000756702475 644684112 /nfs/dbraw/zinc/68/41/12/644684112.db2.gz MFTRWXXHUNYALA-UHFFFAOYSA-N 0 1 293.254 2.051 20 5 CEBDMN Cc1cc(CC(=O)OCc2cccc([N+](=O)[O-])c2C)n[nH]1 ZINC000756701404 644684650 /nfs/dbraw/zinc/68/46/50/644684650.db2.gz QHTUGVYZTSIXAF-UHFFFAOYSA-N 0 1 289.291 2.221 20 5 CEBDMN CC[N@H+]1CC[C@@H]1CNC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000877903106 650942955 /nfs/dbraw/zinc/94/29/55/650942955.db2.gz JLXWMUIKEISVPO-GFCCVEGCSA-N 0 1 292.339 2.119 20 5 CEBDMN CCN1CC[C@@H]1CNC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000877903106 650942957 /nfs/dbraw/zinc/94/29/57/650942957.db2.gz JLXWMUIKEISVPO-GFCCVEGCSA-N 0 1 292.339 2.119 20 5 CEBDMN C[C@H]1C[C@@H](c2ccccc2F)N(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839689872 644774473 /nfs/dbraw/zinc/77/44/73/644774473.db2.gz BQRNIEJCDIAJFC-PCGAWMICSA-N 0 1 292.310 2.400 20 5 CEBDMN CC[C@@H](C)[C@@H]1CCCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839698542 644777440 /nfs/dbraw/zinc/77/74/40/644777440.db2.gz PSJRTGMVNZXZOB-WISYIIOYSA-N 0 1 254.330 2.079 20 5 CEBDMN Cc1ccc2sc(COC(=O)[C@@H]3CC3[N+](=O)[O-])nc2c1 ZINC000859720397 645581293 /nfs/dbraw/zinc/58/12/93/645581293.db2.gz LOQBUDLPPFCNNN-PSASIEDQSA-N 0 1 292.316 2.313 20 5 CEBDMN O=C(OCCN1CCCCC1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000770369858 646383135 /nfs/dbraw/zinc/38/31/35/646383135.db2.gz OCTLAOSFWDKHMC-UHFFFAOYSA-N 0 1 296.298 2.377 20 5 CEBDMN CCCOc1ccc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1F ZINC000863533979 646749660 /nfs/dbraw/zinc/74/96/60/646749660.db2.gz GQFOFRLTAVKPIQ-MWLCHTKSSA-N 0 1 282.271 2.218 20 5 CEBDMN C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])NCc1ccn(C)n1 ZINC000866312433 647731870 /nfs/dbraw/zinc/73/18/70/647731870.db2.gz NNNTUUBCEQWSCN-SNVBAGLBSA-N 0 1 292.314 2.188 20 5 CEBDMN Cc1nn(CN(C)C[C@H]2CC=CCC2)cc1[N+](=O)[O-] ZINC000784013701 647787378 /nfs/dbraw/zinc/78/73/78/647787378.db2.gz ITXWOPNXKSDMCU-LBPRGKRZSA-N 0 1 264.329 2.345 20 5 CEBDMN C[C@](N)(C(=O)NC1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000867941236 647995518 /nfs/dbraw/zinc/99/55/18/647995518.db2.gz DROCGFLFIRMKJK-OAHLLOKOSA-N 0 1 291.351 2.218 20 5 CEBDMN CCC[C@@H](C)NC(=O)[C@](C)(N)c1cccc([N+](=O)[O-])c1 ZINC000867950415 647999826 /nfs/dbraw/zinc/99/98/26/647999826.db2.gz VCKZYCPRQUILIP-QMTHXVAHSA-N 0 1 279.340 2.074 20 5 CEBDMN CCC1(CNC(=O)[C@](C)(N)c2cccc([N+](=O)[O-])c2)CC1 ZINC000867955332 648000240 /nfs/dbraw/zinc/00/02/40/648000240.db2.gz YBLKJBMKIWRUPO-CQSZACIVSA-N 0 1 291.351 2.075 20 5 CEBDMN C[C@H](N[C@H]1CCC[C@@H]1O)c1c(F)cccc1[N+](=O)[O-] ZINC000872093289 649271229 /nfs/dbraw/zinc/27/12/29/649271229.db2.gz UKTFOLMRTZSUHL-PEXQALLHSA-N 0 1 268.288 2.298 20 5 CEBDMN C[C@@H](N[C@H]1CCC[C@@H]1O)c1c(F)cccc1[N+](=O)[O-] ZINC000872093291 649271382 /nfs/dbraw/zinc/27/13/82/649271382.db2.gz UKTFOLMRTZSUHL-QRTLGDNMSA-N 0 1 268.288 2.298 20 5 CEBDMN Cc1noc(CN2CC[C@@H]3CSC[C@H]3C2)c1[N+](=O)[O-] ZINC000879564761 651322309 /nfs/dbraw/zinc/32/23/09/651322309.db2.gz LNUFMVPAOMNXBK-NXEZZACHSA-N 0 1 283.353 2.076 20 5 CEBDMN C[C@@]1(C(F)(F)F)CCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000880000500 651372012 /nfs/dbraw/zinc/37/20/12/651372012.db2.gz ILBQGTZQQISZSB-SNVBAGLBSA-N 0 1 292.261 2.066 20 5 CEBDMN C[C@@H]1CC[C@H](CO)N1Cc1ccc([N+](=O)[O-])cc1F ZINC000880438820 651441370 /nfs/dbraw/zinc/44/13/70/651441370.db2.gz AGJWKGUAYLQHRP-BXKDBHETSA-N 0 1 268.288 2.079 20 5 CEBDMN CC(C)c1[nH]nc(C(=O)N2CCC(F)CC2)c1[N+](=O)[O-] ZINC000881610447 651824069 /nfs/dbraw/zinc/82/40/69/651824069.db2.gz LQKMEZXPCKSFPB-UHFFFAOYSA-N 0 1 284.291 2.015 20 5 CEBDMN CCN1CC[C@H]1CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000882478813 652091096 /nfs/dbraw/zinc/09/10/96/652091096.db2.gz FNXNWFVCFPLLQA-JTQLQIEISA-N 0 1 297.742 2.072 20 5 CEBDMN CCN1CC[C@H]1CN[C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000883355924 652440686 /nfs/dbraw/zinc/44/06/86/652440686.db2.gz AHLAPMYZKABKFT-MNOVXSKESA-N 0 1 281.331 2.479 20 5 CEBDMN Cc1cc(Cl)nc(N2C[C@@H](C)N(C)C[C@@H]2C)c1[N+](=O)[O-] ZINC001164638699 719179905 /nfs/dbraw/zinc/17/99/05/719179905.db2.gz RGGIASICOAKTBK-ZJUUUORDSA-N 0 1 298.774 2.480 20 5 CEBDMN Cc1cc(C)c([N+](=O)[O-])c(N2C[C@H](C)N(C)C[C@H]2C)n1 ZINC000408169516 719209589 /nfs/dbraw/zinc/20/95/89/719209589.db2.gz OCLVZJAEQVEYPR-NWDGAFQWSA-N 0 1 278.356 2.135 20 5 CEBDMN C[C@@H]1CC[C@H](NC(=O)[C@](C)(N)c2cccc([N+](=O)[O-])c2)C1 ZINC001119326595 815092573 /nfs/dbraw/zinc/09/25/73/815092573.db2.gz XNEVLKFLWKIBEO-IFUGULHKSA-N 0 1 291.351 2.074 20 5 CEBDMN O=[N+]([O-])c1cc(Cl)ccc1CNC1CSC1 ZINC000706450821 809821207 /nfs/dbraw/zinc/82/12/07/809821207.db2.gz GNFCQNQALKIUGR-UHFFFAOYSA-N 0 1 258.730 2.453 20 5 CEBDMN COc1cc([N+](=O)[O-])cnc1NCC[N@H+]1CCC[C@@H](C)C1 ZINC000824614965 810704288 /nfs/dbraw/zinc/70/42/88/810704288.db2.gz HGWBWKSBKNIYDD-LLVKDONJSA-N 0 1 294.355 2.142 20 5 CEBDMN Cc1nc(N[C@@H]2CNCc3ccsc32)ncc1[N+](=O)[O-] ZINC001155571857 811089873 /nfs/dbraw/zinc/08/98/73/811089873.db2.gz VRMNYIDSKHFXNQ-SECBINFHSA-N 0 1 291.336 2.011 20 5 CEBDMN CCN1CC[C@H]1CNC(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000712338638 811197508 /nfs/dbraw/zinc/19/75/08/811197508.db2.gz VLWYKQXPDJVRQT-VIFPVBQESA-N 0 1 297.742 2.072 20 5 CEBDMN O=[N+]([O-])C[C@H]1CC[C@@H](NC2(c3ccc(F)cc3)COC2)C1 ZINC001168990414 811338850 /nfs/dbraw/zinc/33/88/50/811338850.db2.gz CMACNKVUKOQGMK-SMDDNHRTSA-N 0 1 294.326 2.086 20 5 CEBDMN CN(Cc1nccs1)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169036554 811346086 /nfs/dbraw/zinc/34/60/86/811346086.db2.gz GMHOSYIXASCLED-ZJUUUORDSA-N 0 1 255.343 2.020 20 5 CEBDMN Cc1cnc(CN)n1-c1ccc2cc([N+](=O)[O-])ccc2n1 ZINC001169020561 811352139 /nfs/dbraw/zinc/35/21/39/811352139.db2.gz OTTSMPOLHOKPPN-UHFFFAOYSA-N 0 1 283.291 2.096 20 5 CEBDMN CC[C@](N)(CO)Nc1ccc(C(F)(F)F)c([N+](=O)[O-])c1 ZINC001170865218 813560438 /nfs/dbraw/zinc/56/04/38/813560438.db2.gz KPJOOBYNVUYEEE-SNVBAGLBSA-N 0 1 293.245 2.083 20 5 CEBDMN CC[C@](N)(CO)Nc1cc2ccccc2c([N+](=O)[O-])c1 ZINC001170866736 813564425 /nfs/dbraw/zinc/56/44/25/813564425.db2.gz XRVDDTQEJPRGLG-CQSZACIVSA-N 0 1 275.308 2.217 20 5 CEBDMN COc1ccc([N+](=O)[O-])c(C[C@@H](C)N[C@@H]2C[C@H]2F)c1F ZINC001173180987 815617267 /nfs/dbraw/zinc/61/72/67/815617267.db2.gz AHHNOEGRKNIWMI-SZEHBUNVSA-N 0 1 286.278 2.374 20 5 CEBDMN COc1cc(NC[C@@H]2CCN2C)c([N+](=O)[O-])cc1C ZINC000712544009 814764819 /nfs/dbraw/zinc/76/48/19/814764819.db2.gz ALCPVRCCNVVQIS-JTQLQIEISA-N 0 1 265.313 2.028 20 5 CEBDMN Cc1ccc(C[N@@H+]2CC[C@@H](C(=O)[O-])[C@@H]2C)cc1[N+](=O)[O-] ZINC000714012510 814882097 /nfs/dbraw/zinc/88/20/97/814882097.db2.gz GOIFBBFVMOPUDK-CMPLNLGQSA-N 0 1 278.308 2.198 20 5 CEBDMN Cc1n[nH]cc1CN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000037775633 361935781 /nfs/dbraw/zinc/93/57/81/361935781.db2.gz WIRQQOPGSJJKOA-VIFPVBQESA-N 0 1 260.297 2.477 20 5 CEBDMN O=c1cc(C[C@@H]2CCCO2)[nH]n1-c1cccc([N+](=O)[O-])c1 ZINC000601931202 346929465 /nfs/dbraw/zinc/92/94/65/346929465.db2.gz GNBCNQSLKLWMLT-ZDUSSCGKSA-N 0 1 289.291 2.257 20 5 CEBDMN CC1(c2cc(=O)n(-c3cccc([N+](=O)[O-])c3)[nH]2)CC1 ZINC000601933387 346930005 /nfs/dbraw/zinc/93/00/05/346930005.db2.gz ZNOWKHKQBLCVIW-UHFFFAOYSA-N 0 1 259.265 2.488 20 5 CEBDMN C[C@H]1CCc2c(=O)n(-c3ccc([N+](=O)[O-])cc3)[nH]c21 ZINC000601935741 346931401 /nfs/dbraw/zinc/93/14/01/346931401.db2.gz XIDQHDSVJNCOFJ-GZMMTYOYSA-N 0 1 259.265 2.344 20 5 CEBDMN CCc1cc(=O)n(-c2ccc([N+](=O)[O-])cc2OC)[nH]1 ZINC000601936186 346932237 /nfs/dbraw/zinc/93/22/37/346932237.db2.gz QITWQFHIRNQPTJ-UHFFFAOYSA-N 0 1 263.253 2.106 20 5 CEBDMN COc1ccc([N+](=O)[O-])cc1CN[C@@H]1C[C@H](C)O[C@@H]1C ZINC000294988279 199287157 /nfs/dbraw/zinc/28/71/57/199287157.db2.gz HKOFYRQPPSCSED-OPQQBVKSSA-N 0 1 280.324 2.259 20 5 CEBDMN O=[N+]([O-])c1ccccc1/C=C\CN1CCC[C@H](CO)C1 ZINC000033394673 343417784 /nfs/dbraw/zinc/41/77/84/343417784.db2.gz VYUHYWOLTOTBRN-IRBQFCFKSA-N 0 1 276.336 2.312 20 5 CEBDMN CC(C)[N@@H+](CCC(=O)[O-])Cc1cccc([N+](=O)[O-])c1 ZINC000037654546 343430455 /nfs/dbraw/zinc/43/04/55/343430455.db2.gz PXJQZLWETHHCKZ-UHFFFAOYSA-N 0 1 266.297 2.280 20 5 CEBDMN C[N@H+]1CCC[C@H](CNc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)C1 ZINC000044539386 343473729 /nfs/dbraw/zinc/47/37/29/343473729.db2.gz UQLYWXKDCHFJFN-SNVBAGLBSA-N 0 1 293.323 2.047 20 5 CEBDMN COC1CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC000053906853 343581649 /nfs/dbraw/zinc/58/16/49/343581649.db2.gz FCZPOJURTXBVNK-UHFFFAOYSA-N 0 1 250.298 2.206 20 5 CEBDMN CC(C)CN1CCO[C@@H](CNc2ccccc2[N+](=O)[O-])C1 ZINC000078379651 343950654 /nfs/dbraw/zinc/95/06/54/343950654.db2.gz DQOLWOCAPDFOHG-ZDUSSCGKSA-N 0 1 293.367 2.364 20 5 CEBDMN CN(CCc1ccc(F)cc1)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602449917 347037649 /nfs/dbraw/zinc/03/76/49/347037649.db2.gz UGNHBXRDZKWRDS-UHFFFAOYSA-N 0 1 292.314 2.142 20 5 CEBDMN C[C@@H]1CC[C@H](C(=O)[O-])C[N@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000592396506 345350142 /nfs/dbraw/zinc/35/01/42/345350142.db2.gz QSLXKIGVGFTYNO-ZJUUUORDSA-N 0 1 296.298 2.419 20 5 CEBDMN NC(=O)c1ccc(C[N@H+]2CCC23CCCC3)c([N+](=O)[O-])c1 ZINC000593039326 345427228 /nfs/dbraw/zinc/42/72/28/345427228.db2.gz QPGANBNEEWDYCD-UHFFFAOYSA-N 0 1 289.335 2.212 20 5 CEBDMN NC(=O)c1ccc(CN2CCC23CCCC3)c([N+](=O)[O-])c1 ZINC000593039326 345427231 /nfs/dbraw/zinc/42/72/31/345427231.db2.gz QPGANBNEEWDYCD-UHFFFAOYSA-N 0 1 289.335 2.212 20 5 CEBDMN O=[N+]([O-])c1cnc(N[C@H]2CCCN3CCCC[C@H]23)s1 ZINC000594601268 345657148 /nfs/dbraw/zinc/65/71/48/345657148.db2.gz NDBPXIXBBBUNHV-VHSXEESVSA-N 0 1 282.369 2.480 20 5 CEBDMN O=[N+]([O-])c1cc(CNCCO[C@@H]2CC2(F)F)cs1 ZINC000594970134 345719804 /nfs/dbraw/zinc/71/98/04/345719804.db2.gz CMBKYTWBCPUMAW-MRVPVSSYSA-N 0 1 278.280 2.170 20 5 CEBDMN COc1cc([N+](=O)[O-])ccc1[C@@H](C)N[C@H]1C[C@@](C)(O)C1 ZINC000595046478 345734169 /nfs/dbraw/zinc/73/41/69/345734169.db2.gz ZYGKULODMDVESP-RULNRJAQSA-N 0 1 280.324 2.167 20 5 CEBDMN C[C@@H]1[C@@H](CO)CCCN1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595539950 345807119 /nfs/dbraw/zinc/80/71/19/345807119.db2.gz FJCDIGPNRXQLNF-ZYHUDNBSSA-N 0 1 282.315 2.327 20 5 CEBDMN C[C@H](Cn1cccn1)NCc1ccc(F)cc1[N+](=O)[O-] ZINC000595313118 345760625 /nfs/dbraw/zinc/76/06/25/345760625.db2.gz WLOAXLQLFLJMPN-SNVBAGLBSA-N 0 1 278.287 2.109 20 5 CEBDMN CCO[C@@H]1COCC[C@@H]1NCc1ccc(F)cc1[N+](=O)[O-] ZINC000595450635 345785990 /nfs/dbraw/zinc/78/59/90/345785990.db2.gz UQDMWRMIPVUSRN-GXTWGEPZSA-N 0 1 298.314 2.018 20 5 CEBDMN Cc1noc(CN2CCC[C@@]2(CO)CC(C)C)c1[N+](=O)[O-] ZINC000595458031 345788516 /nfs/dbraw/zinc/78/85/16/345788516.db2.gz PICUUCTZLOHVAV-AWEZNQCLSA-N 0 1 297.355 2.264 20 5 CEBDMN Cc1ccc2c(c1)CN(CCn1ccc([N+](=O)[O-])n1)CC2 ZINC000595657169 345839612 /nfs/dbraw/zinc/83/96/12/345839612.db2.gz JGBOZLXIPOQBJI-UHFFFAOYSA-N 0 1 286.335 2.158 20 5 CEBDMN C[C@@H]1CC[N@H+](Cc2cc([O-])ccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000595780386 345874380 /nfs/dbraw/zinc/87/43/80/345874380.db2.gz KBOHZBJCEZYXEZ-MNOVXSKESA-N 0 1 280.324 2.300 20 5 CEBDMN C[C@@H]1CC[N@@H+](Cc2cc([O-])ccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000595780386 345874383 /nfs/dbraw/zinc/87/43/83/345874383.db2.gz KBOHZBJCEZYXEZ-MNOVXSKESA-N 0 1 280.324 2.300 20 5 CEBDMN O=C(N[C@]12C[C@H]1CCC2)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000597879886 346243740 /nfs/dbraw/zinc/24/37/40/346243740.db2.gz AEQFWLVPJVFHJO-XLKFXECMSA-N 0 1 286.291 2.144 20 5 CEBDMN Cc1[nH]nc(C(=O)N(CCC2CC2)CC2CC2)c1[N+](=O)[O-] ZINC000598466840 346361466 /nfs/dbraw/zinc/36/14/66/346361466.db2.gz XFAHJNQPYOUYRE-UHFFFAOYSA-N 0 1 292.339 2.279 20 5 CEBDMN CC1(C)C[C@@]1(C)NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000598388483 346344284 /nfs/dbraw/zinc/34/42/84/346344284.db2.gz YPNIQQMSQOVIIM-CQSZACIVSA-N 0 1 288.307 2.390 20 5 CEBDMN O=c1[nH]cccc1CN[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000599086916 346458693 /nfs/dbraw/zinc/45/86/93/346458693.db2.gz BGJKUKGDFRNOCY-ZDUSSCGKSA-N 0 1 285.303 2.473 20 5 CEBDMN CCCc1[nH]nc(C(=O)N(C)[C@H](C)C2CC2)c1[N+](=O)[O-] ZINC000600982652 346726271 /nfs/dbraw/zinc/72/62/71/346726271.db2.gz BZXGSCJGGRDTCI-MRVPVSSYSA-N 0 1 280.328 2.141 20 5 CEBDMN COCCN1CCC[C@@H]1CNc1ccsc1[N+](=O)[O-] ZINC000601111684 346756137 /nfs/dbraw/zinc/75/61/37/346756137.db2.gz XUHFGTYJZLYUEE-SNVBAGLBSA-N 0 1 285.369 2.179 20 5 CEBDMN O=[N+]([O-])c1ccc(CN2CCC[C@H]2CCO)c(F)c1 ZINC000336813841 365855100 /nfs/dbraw/zinc/85/51/00/365855100.db2.gz VQBBOBIEJXEVGS-NSHDSACASA-N 0 1 268.288 2.081 20 5 CEBDMN CN(C)[C@H](CNc1ncc(F)cc1[N+](=O)[O-])c1ccco1 ZINC000601099653 346752754 /nfs/dbraw/zinc/75/27/54/346752754.db2.gz CUDKWARTMJIEJV-LLVKDONJSA-N 0 1 294.286 2.437 20 5 CEBDMN CCN(Cc1nc2cc([N+](=O)[O-])ccc2o1)[C@@H]1CCOC1 ZINC000602675416 347137357 /nfs/dbraw/zinc/13/73/57/347137357.db2.gz IOIAXDFJAFFYMX-LLVKDONJSA-N 0 1 291.307 2.347 20 5 CEBDMN COCC1(C)CN(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000602689577 347148662 /nfs/dbraw/zinc/14/86/62/347148662.db2.gz XSHFUPSYWASBHI-UHFFFAOYSA-N 0 1 264.325 2.106 20 5 CEBDMN CC[C@]1(O)CCCN(Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000602981401 347264646 /nfs/dbraw/zinc/26/46/46/347264646.db2.gz CNQPLVTZCMTTDC-HNNXBMFYSA-N 0 1 294.351 2.340 20 5 CEBDMN CCNCc1cn([C@@H](C)c2cc([N+](=O)[O-])ccc2C)nn1 ZINC000603250098 347321439 /nfs/dbraw/zinc/32/14/39/347321439.db2.gz JQALIMYWUYSJKR-NSHDSACASA-N 0 1 289.339 2.214 20 5 CEBDMN O=[N+]([O-])c1ncccc1Nc1cnn(-c2ccncc2)c1 ZINC000608909579 347623866 /nfs/dbraw/zinc/62/38/66/347623866.db2.gz YPERDRJMRNCKJE-UHFFFAOYSA-N 0 1 282.263 2.314 20 5 CEBDMN O=[N+]([O-])c1ccc(N2CCN([C@@H]3C=CCCC3)CC2)cn1 ZINC000609417416 347639110 /nfs/dbraw/zinc/63/91/10/347639110.db2.gz HZSNWMOVDZDLEF-CYBMUJFWSA-N 0 1 288.351 2.221 20 5 CEBDMN C[C@H](C1CC1)N(Cc1c([N+](=O)[O-])ncn1C)C1CC1 ZINC000610476255 347683310 /nfs/dbraw/zinc/68/33/10/347683310.db2.gz QMVIHWRNLRSLSO-SECBINFHSA-N 0 1 264.329 2.091 20 5 CEBDMN CC(C)c1[nH]nc(C(=O)N2CC(C(C)C)C2)c1[N+](=O)[O-] ZINC000611078987 347736745 /nfs/dbraw/zinc/73/67/45/347736745.db2.gz HPKXGKGVEYISEQ-UHFFFAOYSA-N 0 1 280.328 2.169 20 5 CEBDMN C[C@]1(C(=O)[O-])CCC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000086782761 179330901 /nfs/dbraw/zinc/33/09/01/179330901.db2.gz JPOCKMMDZIFNDC-LBPRGKRZSA-N 0 1 284.337 2.343 20 5 CEBDMN O=[N+]([O-])c1ccc2oc(CN3CCC[C@@H]3CCO)nc2c1 ZINC000614597255 348220427 /nfs/dbraw/zinc/22/04/27/348220427.db2.gz FLJYGCJQWFSVGH-SNVBAGLBSA-N 0 1 291.307 2.083 20 5 CEBDMN Cc1cc(CNC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000617729073 348774580 /nfs/dbraw/zinc/77/45/80/348774580.db2.gz QSVKEZHWKOCMAC-SNVBAGLBSA-N 0 1 288.307 2.046 20 5 CEBDMN C[C@H]1CN(Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@H](C)N1C ZINC000339619786 215273378 /nfs/dbraw/zinc/27/33/78/215273378.db2.gz QTJHTKYISLHSDQ-UWVGGRQHSA-N 0 1 299.321 2.397 20 5 CEBDMN CC[C@@H](C)N(C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000104686195 186014214 /nfs/dbraw/zinc/01/42/14/186014214.db2.gz ZUCMCYJEXCOFRR-LLVKDONJSA-N 0 1 291.351 2.214 20 5 CEBDMN Cc1[nH]nc(C(=O)N2CC[C@@H](C)C3(CCC3)C2)c1[N+](=O)[O-] ZINC000271402935 191118275 /nfs/dbraw/zinc/11/82/75/191118275.db2.gz RTSDZPZBYRJVGE-SECBINFHSA-N 0 1 292.339 2.279 20 5 CEBDMN COc1cc(C[N@H+]2CCCC[C@H]2C(=O)[O-])ccc1[N+](=O)[O-] ZINC000569108318 299180596 /nfs/dbraw/zinc/18/05/96/299180596.db2.gz JVWKXWGQYZYIAX-LBPRGKRZSA-N 0 1 294.307 2.043 20 5 CEBDMN COC(CNC(C)(C)c1ccccc1[N+](=O)[O-])OC ZINC000292123274 198171673 /nfs/dbraw/zinc/17/16/73/198171673.db2.gz KLZJKAKHNQAMRB-UHFFFAOYSA-N 0 1 268.313 2.038 20 5 CEBDMN Cc1cc(C[C@H](C)Nc2ccc([N+](=O)[O-])c(C)n2)[nH]n1 ZINC000133530734 366234402 /nfs/dbraw/zinc/23/44/02/366234402.db2.gz WERWLMOXXQSLCF-QMMMGPOBSA-N 0 1 275.312 2.373 20 5 CEBDMN CCc1[nH]nc(C(=O)N2CCC[C@@H](C)CC2)c1[N+](=O)[O-] ZINC000171806026 188760642 /nfs/dbraw/zinc/76/06/42/188760642.db2.gz WRGLIBHXMKGQAW-SECBINFHSA-N 0 1 280.328 2.143 20 5 CEBDMN CCO[C@@H]1COC[C@H]1N[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000451947481 283149603 /nfs/dbraw/zinc/14/96/03/283149603.db2.gz PBMSKTMRKYFRIY-KCPJHIHWSA-N 0 1 294.351 2.358 20 5 CEBDMN CCS[C@H]1CCCC[C@H]1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000133913347 366267949 /nfs/dbraw/zinc/26/79/49/366267949.db2.gz XASKUYBTGIZIQY-SCZZXKLOSA-N 0 1 298.368 2.112 20 5 CEBDMN C[C@H](NCC(=O)N1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000135110584 366396907 /nfs/dbraw/zinc/39/69/07/366396907.db2.gz PKWXFTTVLFHCMB-LBPRGKRZSA-N 0 1 291.351 2.258 20 5 CEBDMN COc1ccc(CN2CCC[C@@]23CCOC3)cc1[N+](=O)[O-] ZINC000341967352 216170962 /nfs/dbraw/zinc/17/09/62/216170962.db2.gz LHHLGPGVTWOSAU-HNNXBMFYSA-N 0 1 292.335 2.358 20 5 CEBDMN O=C(Nc1ccc2n[nH]cc2c1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356370469 370682077 /nfs/dbraw/zinc/68/20/77/370682077.db2.gz WJEFMGQEKPPTGH-UHFFFAOYSA-N 0 1 298.258 2.429 20 5 CEBDMN CCCCn1ncc(Nc2ncc([N+](=O)[O-])c(N)n2)c1C ZINC000161127658 367059766 /nfs/dbraw/zinc/05/97/66/367059766.db2.gz BWOOTROUQFEFAT-UHFFFAOYSA-N 0 1 291.315 2.016 20 5 CEBDMN C[C@@H]1CN(C)CCN1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000341470090 367347726 /nfs/dbraw/zinc/34/77/26/367347726.db2.gz LIQYISMLTZAHOF-SNVBAGLBSA-N 0 1 283.759 2.384 20 5 CEBDMN C[C@H]1CSCCN1CCOc1ccccc1[N+](=O)[O-] ZINC000172590976 367783093 /nfs/dbraw/zinc/78/30/93/367783093.db2.gz PNTUMNRZFJXPOO-NSHDSACASA-N 0 1 282.365 2.411 20 5 CEBDMN CC(C)(C)OC(=O)CCNCc1ccccc1[N+](=O)[O-] ZINC000174434950 368023107 /nfs/dbraw/zinc/02/31/07/368023107.db2.gz YLAUGJGPQSIGQB-UHFFFAOYSA-N 0 1 280.324 2.416 20 5 CEBDMN Cc1[nH]nc(C(=O)N2C[C@H](C)CC(C)(C)C2)c1[N+](=O)[O-] ZINC000345412658 368266551 /nfs/dbraw/zinc/26/65/51/368266551.db2.gz GISOFJFMIUMUQS-MRVPVSSYSA-N 0 1 280.328 2.135 20 5 CEBDMN C[C@H]1CC[C@H](C)[NH+]1CC(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000330631791 203060649 /nfs/dbraw/zinc/06/06/49/203060649.db2.gz GNYSWTYGVFQFRH-UWVGGRQHSA-N 0 1 293.323 2.112 20 5 CEBDMN CCN(C)C(=O)[C@H](C)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000188478793 369362470 /nfs/dbraw/zinc/36/24/70/369362470.db2.gz VPIWQBJTTPBFHC-MNOVXSKESA-N 0 1 279.340 2.112 20 5 CEBDMN CCN1CCN(Cc2c(F)cccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000352700749 369845518 /nfs/dbraw/zinc/84/55/18/369845518.db2.gz UMNMQPNMQRVOLO-NSHDSACASA-N 0 1 281.331 2.260 20 5 CEBDMN COc1ccc(CN2CCC([C@@H](C)O)CC2)cc1[N+](=O)[O-] ZINC000225790413 370319476 /nfs/dbraw/zinc/31/94/76/370319476.db2.gz YPRKSXPHKLQXMY-LLVKDONJSA-N 0 1 294.351 2.196 20 5 CEBDMN CCC[C@](C)(NCc1cc(O)ccc1[N+](=O)[O-])C(=O)OC ZINC000358304227 371003521 /nfs/dbraw/zinc/00/35/21/371003521.db2.gz VQABNYDRRCUURT-AWEZNQCLSA-N 0 1 296.323 2.122 20 5 CEBDMN CC(C)c1[nH]nc(C(=O)N(C)CC2CCC2)c1[N+](=O)[O-] ZINC000332000400 204377854 /nfs/dbraw/zinc/37/78/54/204377854.db2.gz PVYZEUXPNFAWIG-UHFFFAOYSA-N 0 1 280.328 2.313 20 5 CEBDMN CO[C@@H]1CN(Cc2ccccc2[N+](=O)[O-])CC[C@H]1C ZINC000251645920 371409894 /nfs/dbraw/zinc/40/98/94/371409894.db2.gz HIOFTXZJUYPNJA-BXUZGUMPSA-N 0 1 264.325 2.452 20 5 CEBDMN O=[N+]([O-])c1cnn(CCN2CC[C@H]2c2ccccc2)c1 ZINC000361399204 371828239 /nfs/dbraw/zinc/82/82/39/371828239.db2.gz ZGGGNQSVGHMYAA-AWEZNQCLSA-N 0 1 272.308 2.238 20 5 CEBDMN CC[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1C)N(C)C ZINC000268726071 372195662 /nfs/dbraw/zinc/19/56/62/372195662.db2.gz JOLQIJLAHVOTDB-NSHDSACASA-N 0 1 265.313 2.182 20 5 CEBDMN C[C@@H](O)C[C@@H]1CCCN1Cc1ccc([N+](=O)[O-])cc1F ZINC000269868999 372583616 /nfs/dbraw/zinc/58/36/16/372583616.db2.gz YDSHJYKIQMTJKE-PWSUYJOCSA-N 0 1 282.315 2.469 20 5 CEBDMN COCC1(O)CCN([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000270391745 372768218 /nfs/dbraw/zinc/76/82/18/372768218.db2.gz SNYBJWVYFFPBAN-GFCCVEGCSA-N 0 1 294.351 2.129 20 5 CEBDMN CCc1[nH]nc(C(=O)N2CCCC23CCCC3)c1[N+](=O)[O-] ZINC000365566221 372893957 /nfs/dbraw/zinc/89/39/57/372893957.db2.gz QXXBUYBGXMXKLZ-UHFFFAOYSA-N 0 1 292.339 2.429 20 5 CEBDMN O=C(NCCC1CCCCC1)c1n[nH]cc1[N+](=O)[O-] ZINC000270714765 372915152 /nfs/dbraw/zinc/91/51/52/372915152.db2.gz DFOKEBCUCVPNDI-UHFFFAOYSA-N 0 1 266.301 2.018 20 5 CEBDMN Cc1ccc(CN2CCN(C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000353586458 220173880 /nfs/dbraw/zinc/17/38/80/220173880.db2.gz AWBZUSCSGJDGSF-GFCCVEGCSA-N 0 1 263.341 2.039 20 5 CEBDMN C[C@H]1CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC[C@@H]1C ZINC000272630601 373589787 /nfs/dbraw/zinc/58/97/87/373589787.db2.gz BBLMZNFETWMEAB-UWVGGRQHSA-N 0 1 278.308 2.419 20 5 CEBDMN C[C@@H]1CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)[C@H]1C ZINC000272680143 373612698 /nfs/dbraw/zinc/61/26/98/373612698.db2.gz NFLBJIBSCYKZRX-BDAKNGLRSA-N 0 1 264.281 2.171 20 5 CEBDMN CN(CC[N@@H+](C)C1CC1)c1cccc(F)c1[N+](=O)[O-] ZINC000274532176 373952226 /nfs/dbraw/zinc/95/22/26/373952226.db2.gz YZTANGSCLWBXCF-UHFFFAOYSA-N 0 1 267.304 2.264 20 5 CEBDMN CCOc1cc(CN(C)CC2(CO)CC2)ccc1[N+](=O)[O-] ZINC000276942775 374354134 /nfs/dbraw/zinc/35/41/34/374354134.db2.gz SLOVUVYPXXJMPA-UHFFFAOYSA-N 0 1 294.351 2.198 20 5 CEBDMN Cc1nc([C@@H]2CCCCN2c2ncc([N+](=O)[O-])s2)n[nH]1 ZINC000374587055 374606874 /nfs/dbraw/zinc/60/68/74/374606874.db2.gz VFQIRIRYTZKHRO-QMMMGPOBSA-N 0 1 294.340 2.209 20 5 CEBDMN CC1(C)CN(C(=O)[C@@H]2CC2[N+](=O)[O-])[C@@H]1c1cccs1 ZINC000377097847 374789183 /nfs/dbraw/zinc/78/91/83/374789183.db2.gz FBOZHASXSWJHOM-WCABBAIRSA-N 0 1 280.349 2.323 20 5 CEBDMN CC(C)[N@@H+](C)C[C@@H](C)Nc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000387305077 375273553 /nfs/dbraw/zinc/27/35/53/375273553.db2.gz QAUYVROKZZYAEG-SNVBAGLBSA-N 0 1 295.339 2.434 20 5 CEBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CC[C@@H]2CCC[C@H]21 ZINC000408374656 375463999 /nfs/dbraw/zinc/46/39/99/375463999.db2.gz IODJSDQSGIMHJL-TVQRCGJNSA-N 0 1 276.292 2.315 20 5 CEBDMN Cc1cc(CN[C@H](C)c2ccc(N)c([N+](=O)[O-])c2)n(C)n1 ZINC000283951730 375785992 /nfs/dbraw/zinc/78/59/92/375785992.db2.gz IAORJVUSEDCYQI-SNVBAGLBSA-N 0 1 289.339 2.070 20 5 CEBDMN Cc1[nH]nc(C(=O)N([C@H](C)C(C)C)C2CC2)c1[N+](=O)[O-] ZINC000264258583 190100420 /nfs/dbraw/zinc/10/04/20/190100420.db2.gz OUWHGPGQCBCYBZ-SECBINFHSA-N 0 1 280.328 2.275 20 5 CEBDMN CC[C@H](C)CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000421597766 376836743 /nfs/dbraw/zinc/83/67/43/376836743.db2.gz XAXVQAJWGKDIPT-QMMMGPOBSA-N 0 1 276.296 2.247 20 5 CEBDMN CC[C@]1(C)COCCN1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000330450712 377139617 /nfs/dbraw/zinc/13/96/17/377139617.db2.gz JMZSOQLDLNINIQ-CQSZACIVSA-N 0 1 280.324 2.301 20 5 CEBDMN C[C@@H](c1ccccc1[N+](=O)[O-])N1CCCOCC1 ZINC000332273208 377557688 /nfs/dbraw/zinc/55/76/88/377557688.db2.gz GWHCWMCCCXTWIM-NSHDSACASA-N 0 1 250.298 2.378 20 5 CEBDMN Cc1[nH]nc(C(=O)N2CC[C@@H](C(C)(C)C)C2)c1[N+](=O)[O-] ZINC000332724581 377683007 /nfs/dbraw/zinc/68/30/07/377683007.db2.gz SDFNRCAHEDGKPB-SECBINFHSA-N 0 1 280.328 2.135 20 5 CEBDMN Cc1cc(NCC[N@H+](C)C2CC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000567169852 377807741 /nfs/dbraw/zinc/80/77/41/377807741.db2.gz CFXFLFXRIYONLP-UHFFFAOYSA-N 0 1 293.323 2.108 20 5 CEBDMN CC[C@@H](CO)N(C)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000293854633 377788346 /nfs/dbraw/zinc/78/83/46/377788346.db2.gz JYIOUZCGZBIAIN-NSHDSACASA-N 0 1 272.732 2.451 20 5 CEBDMN COCC[C@@]1(NCc2ccc([N+](=O)[O-])cc2F)CCOC1 ZINC000447064377 378089698 /nfs/dbraw/zinc/08/96/98/378089698.db2.gz WQPZLKUYKPOBIX-CQSZACIVSA-N 0 1 298.314 2.019 20 5 CEBDMN CCN(CC)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000298677339 378798271 /nfs/dbraw/zinc/79/82/71/378798271.db2.gz MDVKQJVPRZDNLM-SNVBAGLBSA-N 0 1 265.313 2.264 20 5 CEBDMN CO[C@H]1C[C@@H](N(C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000510113403 379116632 /nfs/dbraw/zinc/11/66/32/379116632.db2.gz QQSRGLGXVMZTPP-TXEJJXNPSA-N 0 1 250.298 2.204 20 5 CEBDMN CC[C@@H]1CN(C)CCN1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000515424229 379216821 /nfs/dbraw/zinc/21/68/21/379216821.db2.gz OUDKALRKSXVRAU-GFCCVEGCSA-N 0 1 292.339 2.153 20 5 CEBDMN CCCCn1ncc(Nc2ncc([N+](=O)[O-])cn2)c1C ZINC000302217896 379333091 /nfs/dbraw/zinc/33/30/91/379333091.db2.gz KMUNNBZSEOIQFP-UHFFFAOYSA-N 0 1 276.300 2.433 20 5 CEBDMN Cc1nc(N2CCN(C)C[C@H]2C(C)C)ccc1[N+](=O)[O-] ZINC000301658096 379295750 /nfs/dbraw/zinc/29/57/50/379295750.db2.gz LQXTXUTWYRDRIR-ZDUSSCGKSA-N 0 1 278.356 2.075 20 5 CEBDMN C[C@@H](NCc1n[nH]c(C2CC2)n1)c1ccccc1[N+](=O)[O-] ZINC000347649161 218305902 /nfs/dbraw/zinc/30/59/02/218305902.db2.gz IBDMYSJHBAYGTE-SECBINFHSA-N 0 1 287.323 2.441 20 5 CEBDMN Cc1sc(C(=O)NCCN2CC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000524721115 379630798 /nfs/dbraw/zinc/63/07/98/379630798.db2.gz MWRDGZARXCFGHP-VIFPVBQESA-N 0 1 297.380 2.036 20 5 CEBDMN O=[N+]([O-])c1c(F)cccc1N1CCN(CC2CC2)CC1 ZINC000048805726 285076941 /nfs/dbraw/zinc/07/69/41/285076941.db2.gz JZPRVTPWNPKJHK-UHFFFAOYSA-N 0 1 279.315 2.266 20 5 CEBDMN O=[N+]([O-])c1cnc(N2CC[C@@H](N3CCCC3)C2)c(Cl)c1 ZINC000301279123 285176348 /nfs/dbraw/zinc/17/63/48/285176348.db2.gz NEWVFFPCJLSAAS-SNVBAGLBSA-N 0 1 296.758 2.318 20 5 CEBDMN O=[N+]([O-])c1cnc(N[C@@H]2CCCc3cn[nH]c32)s1 ZINC000282077581 285180734 /nfs/dbraw/zinc/18/07/34/285180734.db2.gz ZPFITTWFLMFOLE-SSDOTTSWSA-N 0 1 265.298 2.264 20 5 CEBDMN Cc1cn[nH]c1CN1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000356228389 394566269 /nfs/dbraw/zinc/56/62/69/394566269.db2.gz WHPCLLBTJABVOS-UHFFFAOYSA-N 0 1 272.308 2.185 20 5 CEBDMN Cc1[nH]ncc1CNC(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000421744705 394580183 /nfs/dbraw/zinc/58/01/83/394580183.db2.gz PORFTKIHPMPHGT-UHFFFAOYSA-N 0 1 288.307 2.173 20 5 CEBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CC[C@@H](C2CC2)C1 ZINC000356724001 394594550 /nfs/dbraw/zinc/59/45/50/394594550.db2.gz FYAAAVMRBPDDAV-SNVBAGLBSA-N 0 1 276.292 2.173 20 5 CEBDMN CO[C@@H]1CCC[C@H]1NCc1ccc([N+](=O)[O-])cc1F ZINC000311442446 394537352 /nfs/dbraw/zinc/53/73/52/394537352.db2.gz PTJOVBVXQTWYPO-CHWSQXEVSA-N 0 1 268.288 2.391 20 5 CEBDMN Cc1ccc([N+](=O)[O-])c(N2CCN(C)[C@H](C)[C@@H]2C)c1 ZINC000356794837 394616025 /nfs/dbraw/zinc/61/60/25/394616025.db2.gz NNJAROJZOVIYIA-NEPJUHHUSA-N 0 1 263.341 2.432 20 5 CEBDMN Cc1cc(C[C@H](C)Nc2cc(C)c([N+](=O)[O-])cn2)[nH]n1 ZINC000268952644 394704033 /nfs/dbraw/zinc/70/40/33/394704033.db2.gz IUVABWJIYWDONQ-VIFPVBQESA-N 0 1 275.312 2.373 20 5 CEBDMN C[C@H](c1cccc([N+](=O)[O-])c1)N(C)CCN1CCCC1=O ZINC000120931847 394787620 /nfs/dbraw/zinc/78/76/20/394787620.db2.gz NLMYAOIZWBZSST-GFCCVEGCSA-N 0 1 291.351 2.210 20 5 CEBDMN CC1CCC2(CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)CC1 ZINC000365300428 394924598 /nfs/dbraw/zinc/92/45/98/394924598.db2.gz ZIDROVZOXKMKLS-CBKZZEEASA-N 0 1 266.341 2.080 20 5 CEBDMN Cc1cc(N2C[C@H](C)[C@H](O)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000340790293 394991159 /nfs/dbraw/zinc/99/11/59/394991159.db2.gz XQKRMMNYPMJLHE-BJOHPYRUSA-N 0 1 287.319 2.268 20 5 CEBDMN O=C(NC[C@@H]1CC12CC2)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000416049155 395003060 /nfs/dbraw/zinc/00/30/60/395003060.db2.gz OUFXOELPMABFKR-QMMMGPOBSA-N 0 1 286.291 2.001 20 5 CEBDMN CCn1cncc1CNCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000417867434 395153244 /nfs/dbraw/zinc/15/32/44/395153244.db2.gz BIRAOPDBFBDCBM-UHFFFAOYSA-N 0 1 290.323 2.110 20 5 CEBDMN CC[C@H](CO)N(C)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000293854628 395253350 /nfs/dbraw/zinc/25/33/50/395253350.db2.gz JYIOUZCGZBIAIN-LLVKDONJSA-N 0 1 272.732 2.451 20 5 CEBDMN O=C1CCC[C@H](CNCc2ccc([N+](=O)[O-])cc2Cl)N1 ZINC000433191188 395207422 /nfs/dbraw/zinc/20/74/22/395207422.db2.gz ZLWFUCMERMHRTK-SNVBAGLBSA-N 0 1 297.742 2.007 20 5 CEBDMN Cc1c(NC(=O)CCc2cnc[nH]2)cccc1[N+](=O)[O-] ZINC000194985647 395456392 /nfs/dbraw/zinc/45/63/92/395456392.db2.gz OLQCKPKJWAHACV-UHFFFAOYSA-N 0 1 274.280 2.198 20 5 CEBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@@H](F)C1 ZINC000451197780 395592776 /nfs/dbraw/zinc/59/27/76/395592776.db2.gz OJIGJROXQDDKMP-LLVKDONJSA-N 0 1 295.314 2.276 20 5 CEBDMN Cc1ccc([C@H](C)N[C@@H](C)C(=O)NC(C)C)cc1[N+](=O)[O-] ZINC000228938629 153372022 /nfs/dbraw/zinc/37/20/22/153372022.db2.gz JPIDIDMPCWSNEW-RYUDHWBXSA-N 0 1 293.367 2.467 20 5 CEBDMN O=[N+]([O-])c1cccc(CN2CCC[C@H]3COC[C@H]32)c1 ZINC000367074054 156124074 /nfs/dbraw/zinc/12/40/74/156124074.db2.gz WGDKBWVJFFYXIW-GXTWGEPZSA-N 0 1 262.309 2.206 20 5 CEBDMN Cc1c(C(=O)Nc2ccc3[nH]nnc3c2)cccc1[N+](=O)[O-] ZINC000176712569 165169950 /nfs/dbraw/zinc/16/99/50/165169950.db2.gz MKEASUAKUONOPG-UHFFFAOYSA-N 0 1 297.274 2.427 20 5 CEBDMN C[C@H]1CN(CCn2cc([N+](=O)[O-])cn2)[C@@H]1c1ccccc1 ZINC000177825293 165211049 /nfs/dbraw/zinc/21/10/49/165211049.db2.gz WMXMVEULOGYVNE-WFASDCNBSA-N 0 1 286.335 2.484 20 5 CEBDMN O=C([O-])[C@@H]1CCCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000035677957 172349080 /nfs/dbraw/zinc/34/90/80/172349080.db2.gz JKCKQZPXZAERDD-ZDUSSCGKSA-N 0 1 278.308 2.076 20 5 CEBDMN CN1CCC[C@@H](NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000040690805 174376912 /nfs/dbraw/zinc/37/69/12/174376912.db2.gz GHXBYBIUDSGPLA-SNVBAGLBSA-N 0 1 297.742 2.072 20 5 CEBDMN CCN1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000045141689 175316030 /nfs/dbraw/zinc/31/60/30/175316030.db2.gz UQIZFTTZGBNBIB-JTQLQIEISA-N 0 1 297.380 2.179 20 5 CEBDMN CCN1CCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000045141687 175316157 /nfs/dbraw/zinc/31/61/57/175316157.db2.gz UQIZFTTZGBNBIB-SNVBAGLBSA-N 0 1 297.380 2.179 20 5 CEBDMN O=[N+]([O-])c1cccc(Cl)c1N1CC[C@@H](c2nc[nH]n2)C1 ZINC000425275487 271150854 /nfs/dbraw/zinc/15/08/54/271150854.db2.gz ABFABBVMMMZVSQ-MRVPVSSYSA-N 0 1 293.714 2.360 20 5 CEBDMN O=[N+]([O-])c1cc(Cl)ccc1N1CC[C@@H](c2nc[nH]n2)C1 ZINC000425281899 271152900 /nfs/dbraw/zinc/15/29/00/271152900.db2.gz JPLGCQYSIUWQOS-MRVPVSSYSA-N 0 1 293.714 2.360 20 5 CEBDMN CN(Cc1csc([N+](=O)[O-])c1)[C@@H]1CCCC[C@H]1O ZINC000426216810 271204634 /nfs/dbraw/zinc/20/46/34/271204634.db2.gz SDGMUHOQLSYULG-GHMZBOCLSA-N 0 1 270.354 2.392 20 5 CEBDMN COCCN(Cc1ccc([N+](=O)[O-])cc1C)[C@@H]1CCOC1 ZINC000426527191 271224008 /nfs/dbraw/zinc/22/40/08/271224008.db2.gz ACMYHHQXDOVKQW-OAHLLOKOSA-N 0 1 294.351 2.141 20 5 CEBDMN COc1cc([N+](=O)[O-])ccc1CN1CCC[C@H](C)[C@@H]1CO ZINC000430225560 271364632 /nfs/dbraw/zinc/36/46/32/271364632.db2.gz YJLSMLQFZQWQAY-FZMZJTMJSA-N 0 1 294.351 2.196 20 5 CEBDMN CC1=C[C@H](C)CN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000430284806 271371858 /nfs/dbraw/zinc/37/18/58/271371858.db2.gz NUTQPJMHMUHYFX-JTQLQIEISA-N 0 1 289.335 2.092 20 5 CEBDMN CN1CC[C@H]2CCN(c3c(F)cc([N+](=O)[O-])cc3F)[C@H]2C1 ZINC000272250249 277178153 /nfs/dbraw/zinc/17/81/53/277178153.db2.gz YHGWSJHHMDEPNF-ZANVPECISA-N 0 1 297.305 2.403 20 5 CEBDMN Cc1[nH]nc(C(=O)N2Cc3ccccc3[C@H]2C)c1[N+](=O)[O-] ZINC000341920576 280189370 /nfs/dbraw/zinc/18/93/70/280189370.db2.gz CWTGDPXGNYYELW-SECBINFHSA-N 0 1 286.291 2.343 20 5 CEBDMN CCC[C@@H]1CCCC[C@@H]1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000535008646 298179497 /nfs/dbraw/zinc/17/94/97/298179497.db2.gz OYNRENPXTAIFGR-ZJUUUORDSA-N 0 1 280.328 2.407 20 5 CEBDMN O=[N+]([O-])c1ccccc1C[C@H](NCc1ncccn1)C1CC1 ZINC000566688976 299015679 /nfs/dbraw/zinc/01/56/79/299015679.db2.gz HCNWOMLFOHYVMJ-AWEZNQCLSA-N 0 1 298.346 2.496 20 5 CEBDMN Cc1ccc([C@H](C)N[C@@H]2CCCCNC2=O)cc1[N+](=O)[O-] ZINC000036976541 301787110 /nfs/dbraw/zinc/78/71/10/301787110.db2.gz LNDXWBNIQSWXLD-WCQYABFASA-N 0 1 291.351 2.223 20 5 CEBDMN CC(C)(NC(=O)c1cc(O)cc([N+](=O)[O-])c1)C1CC1 ZINC000548462587 313564082 /nfs/dbraw/zinc/56/40/82/313564082.db2.gz LGEKWPGZPYHRIY-UHFFFAOYSA-N 0 1 264.281 2.219 20 5 CEBDMN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC(CC(N)=O)CC1 ZINC000052941465 526084791 /nfs/dbraw/zinc/08/47/91/526084791.db2.gz GUDJQMDSBOZQMV-LLVKDONJSA-N 0 1 291.351 2.243 20 5 CEBDMN Cc1ccc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1N1CCCC1 ZINC000874943094 649875120 /nfs/dbraw/zinc/87/51/20/649875120.db2.gz LOHPCAWGJUIGCL-TZMCWYRMSA-N 0 1 289.335 2.199 20 5 CEBDMN C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H](CNC(=O)[O-])C1 ZINC000739060779 574891803 /nfs/dbraw/zinc/89/18/03/574891803.db2.gz VRNCCFSVYLDPCK-GHMZBOCLSA-N 0 1 293.323 2.245 20 5 CEBDMN Cc1nn(CN2C3CCC2CC3)c2ncc([N+](=O)[O-])cc12 ZINC000749939450 575240853 /nfs/dbraw/zinc/24/08/53/575240853.db2.gz XZRZBMHSCZMGPJ-UHFFFAOYSA-N 0 1 287.323 2.232 20 5 CEBDMN O=[N+]([O-])c1sccc1N1CCC(c2nc[nH]n2)CC1 ZINC000751236320 575285028 /nfs/dbraw/zinc/28/50/28/575285028.db2.gz LPNXLEGJAMLKFA-UHFFFAOYSA-N 0 1 279.325 2.158 20 5 CEBDMN C[C@H]1C[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C[C@H]1C(=O)[O-] ZINC000251704201 601526535 /nfs/dbraw/zinc/52/65/35/601526535.db2.gz JBGBISMBBHOLDL-GZMMTYOYSA-N 0 1 298.726 2.401 20 5 CEBDMN Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+](CC(=O)[O-])C1CC1 ZINC000901971679 634389475 /nfs/dbraw/zinc/38/94/75/634389475.db2.gz OUNGIOIAAFEYHH-UHFFFAOYSA-N 0 1 278.308 2.261 20 5 CEBDMN O=C(O[C@@H]1CCc2c1cccc2F)[C@@H]1CC1[N+](=O)[O-] ZINC000893666152 628904131 /nfs/dbraw/zinc/90/41/31/628904131.db2.gz ZDMQDPABSZYVEY-YUSALJHKSA-N 0 1 265.240 2.021 20 5 CEBDMN O=C(O[C@H]1c2ccccc2CC[C@H]1F)[C@@H]1CC1[N+](=O)[O-] ZINC000893726282 628991964 /nfs/dbraw/zinc/99/19/64/628991964.db2.gz WDCKJKXFNTUJLH-LPWJVIDDSA-N 0 1 279.267 2.220 20 5 CEBDMN CC(=O)c1ccc(N[C@H]2CCN(C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000895736306 630326803 /nfs/dbraw/zinc/32/68/03/630326803.db2.gz KDXGHQXUDNNYKT-CABZTGNLSA-N 0 1 277.324 2.302 20 5 CEBDMN CN1CC[C@@H]1CNc1nc2ccccc2cc1[N+](=O)[O-] ZINC000895769334 630338384 /nfs/dbraw/zinc/33/83/84/630338384.db2.gz BMYDCIVFUVMIHD-LLVKDONJSA-N 0 1 272.308 2.259 20 5 CEBDMN Cc1nc(N2CCN(C)C[C@@H]2CC(C)C)ccc1[N+](=O)[O-] ZINC000896650571 630624601 /nfs/dbraw/zinc/62/46/01/630624601.db2.gz IHAVKIJIWUNRMO-ZDUSSCGKSA-N 0 1 292.383 2.465 20 5 CEBDMN O=[N+]([O-])c1ccc(F)cc1CN(CCO)C1CCC1 ZINC000221143121 631184347 /nfs/dbraw/zinc/18/43/47/631184347.db2.gz JEBHZSVUAGMKCM-UHFFFAOYSA-N 0 1 268.288 2.081 20 5 CEBDMN COC(=O)[C@@H]1CCN(Cc2ccc([N+](=O)[O-])c(F)c2)[C@@H]1C ZINC000801546125 631286540 /nfs/dbraw/zinc/28/65/40/631286540.db2.gz IDGDAVMSRPWHOB-MWLCHTKSSA-N 0 1 296.298 2.117 20 5 CEBDMN COC(=O)/C(C)=C/CN(C)CCc1cccc([N+](=O)[O-])c1 ZINC000801601820 631298569 /nfs/dbraw/zinc/29/85/69/631298569.db2.gz OWMQMRILLDDFIW-KPKJPENVSA-N 0 1 292.335 2.188 20 5 CEBDMN C[C@@H](CC1CCOCC1)OC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000803017599 631503550 /nfs/dbraw/zinc/50/35/50/631503550.db2.gz ISIDIORWKHRUKI-VIFPVBQESA-N 0 1 282.296 2.285 20 5 CEBDMN O=[N+]([O-])c1cccc(F)c1N1CCC(c2nc[nH]n2)CC1 ZINC000804538498 631701202 /nfs/dbraw/zinc/70/12/02/631701202.db2.gz PHORCRNYTSUEOM-UHFFFAOYSA-N 0 1 291.286 2.236 20 5 CEBDMN CCc1cc(CNc2c([N+](=O)[O-])nc(C)n2CC)n[nH]1 ZINC000807971721 631894306 /nfs/dbraw/zinc/89/43/06/631894306.db2.gz FMUKOLCXCHGIPL-UHFFFAOYSA-N 0 1 278.316 2.017 20 5 CEBDMN O=C(OCc1noc2c1CCCC2)c1ccc([N+](=O)[O-])[nH]1 ZINC000810834018 632283656 /nfs/dbraw/zinc/28/36/56/632283656.db2.gz JQLMRGOISBHBJS-UHFFFAOYSA-N 0 1 291.263 2.147 20 5 CEBDMN Cc1nc([C@@H](C)OC(=O)c2ccc(F)cc2[N+](=O)[O-])n[nH]1 ZINC000840286230 632658200 /nfs/dbraw/zinc/65/82/00/632658200.db2.gz IVVXGXPURQLBHY-ZCFIWIBFSA-N 0 1 294.242 2.078 20 5 CEBDMN C[C@]1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCCc2ccccc21 ZINC000840309060 632770487 /nfs/dbraw/zinc/77/04/87/632770487.db2.gz FXSQLLFVFOVXPC-KYOSRNDESA-N 0 1 274.320 2.020 20 5 CEBDMN CC(C)(Cc1ccccc1Cl)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840320489 632833909 /nfs/dbraw/zinc/83/39/09/632833909.db2.gz DJTPXXFRBZQBNS-ZYHUDNBSSA-N 0 1 296.754 2.443 20 5 CEBDMN O=[N+]([O-])c1ccc(Cl)cc1N1CC[C@@H](c2nc[nH]n2)C1 ZINC000819948498 634294748 /nfs/dbraw/zinc/29/47/48/634294748.db2.gz GRSDXQYASIKGSJ-MRVPVSSYSA-N 0 1 293.714 2.360 20 5 CEBDMN CCOc1ccc([N+](=O)[O-])cc1NC(=O)CN(C)C(C)C ZINC000820001939 634310511 /nfs/dbraw/zinc/31/05/11/634310511.db2.gz FYEYVIXYSKJJHZ-UHFFFAOYSA-N 0 1 295.339 2.272 20 5 CEBDMN CCn1cc(CSCc2cc(O)ccc2[N+](=O)[O-])nn1 ZINC000901862958 634335025 /nfs/dbraw/zinc/33/50/25/634335025.db2.gz FJFKRPBLGIQUIK-UHFFFAOYSA-N 0 1 294.336 2.345 20 5 CEBDMN C[C@H](NC[C@@H]1CCN1C)c1c(F)cccc1[N+](=O)[O-] ZINC000903317004 635064205 /nfs/dbraw/zinc/06/42/05/635064205.db2.gz RXFSFJWNTXBDPU-UWVGGRQHSA-N 0 1 267.304 2.089 20 5 CEBDMN CCN(CC)c1ccc(CNCC[N+](=O)[O-])cc1F ZINC000905104778 635817874 /nfs/dbraw/zinc/81/78/74/635817874.db2.gz GWJOJWCCGWWAIM-UHFFFAOYSA-N 0 1 269.320 2.038 20 5 CEBDMN Cc1cc(CNCC[N+](=O)[O-])ccc1Br ZINC000905284557 636208946 /nfs/dbraw/zinc/20/89/46/636208946.db2.gz NAPBQRUIERHGPM-UHFFFAOYSA-N 0 1 273.130 2.124 20 5 CEBDMN C[C@@H]1CCC[C@@H](C)N1NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000907988732 637202554 /nfs/dbraw/zinc/20/25/54/637202554.db2.gz JAVMLRZONBLBCS-NXEZZACHSA-N 0 1 293.323 2.208 20 5 CEBDMN CN(Cc1ccccn1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000831039342 637221587 /nfs/dbraw/zinc/22/15/87/637221587.db2.gz ZHRLBWIHNKPJJY-HNNXBMFYSA-N 0 1 287.319 2.155 20 5 CEBDMN CCOc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](CC)N(C)C ZINC000908282258 637284185 /nfs/dbraw/zinc/28/41/85/637284185.db2.gz UFZNMALQWCQHTF-GFCCVEGCSA-N 0 1 295.339 2.272 20 5 CEBDMN CC(C)(CCC(=O)Nc1ccc(F)c(F)c1O)[N+](=O)[O-] ZINC000837266273 639156953 /nfs/dbraw/zinc/15/69/53/639156953.db2.gz LQFWPGVWURQIOD-UHFFFAOYSA-N 0 1 288.250 2.444 20 5 CEBDMN CC(C)(C)C(=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837436787 639216538 /nfs/dbraw/zinc/21/65/38/639216538.db2.gz DMTZFSAIVITKCZ-UHFFFAOYSA-N 0 1 253.254 2.390 20 5 CEBDMN C[C@@H]1COCC[C@@H]1C(=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837672595 639336588 /nfs/dbraw/zinc/33/65/88/639336588.db2.gz DWQIJKDRWFFWNH-SKDRFNHKSA-N 0 1 295.291 2.016 20 5 CEBDMN COc1cc(-c2nc([C@@H](N)C(C)C)no2)ccc1[N+](=O)[O-] ZINC000164977364 639408911 /nfs/dbraw/zinc/40/89/11/639408911.db2.gz NWRGJXFANPTDHN-NSHDSACASA-N 0 1 292.295 2.309 20 5 CEBDMN O=C(Nc1cnoc1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000060393522 639612903 /nfs/dbraw/zinc/61/29/03/639612903.db2.gz BPALCBBWQUWIKS-UHFFFAOYSA-N 0 1 267.628 2.489 20 5 CEBDMN O=C(Oc1ccc(C(F)(F)F)cc1)[C@@H]1CC1[N+](=O)[O-] ZINC000841014768 639617425 /nfs/dbraw/zinc/61/74/25/639617425.db2.gz ZVZPZHAOBROCHU-RKDXNWHRSA-N 0 1 275.182 2.276 20 5 CEBDMN C[C@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])c1c(F)cc(F)cc1F ZINC000841156178 639694791 /nfs/dbraw/zinc/69/47/91/639694791.db2.gz JHYMQNXKRPAHQE-WVBSTYLSSA-N 0 1 289.209 2.373 20 5 CEBDMN O=C(Oc1cccc(Cl)c1F)[C@@H]1CC1[N+](=O)[O-] ZINC000841188192 639702127 /nfs/dbraw/zinc/70/21/27/639702127.db2.gz NKAHWRWQAAYUQX-IYSWYEEDSA-N 0 1 259.620 2.050 20 5 CEBDMN O=C(OCc1cccc(-c2ccccn2)c1)[C@@H]1CC1[N+](=O)[O-] ZINC000841222487 639711169 /nfs/dbraw/zinc/71/11/69/639711169.db2.gz XDIYKMQXCMXILZ-UKRRQHHQSA-N 0 1 298.298 2.457 20 5 CEBDMN Cc1cccc2c1[C@@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])CCO2 ZINC000841241533 639716110 /nfs/dbraw/zinc/71/61/10/639716110.db2.gz AQUMFVAUIMOKGV-FOGDFJRCSA-N 0 1 277.276 2.027 20 5 CEBDMN CCCC[C@@H](Cc1ccccn1)OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000842304651 640004999 /nfs/dbraw/zinc/00/49/99/640004999.db2.gz JVYZNWBGASLTPG-BFHYXJOUSA-N 0 1 292.335 2.391 20 5 CEBDMN C[C@H](NCCOc1ccc([N+](=O)[O-])cc1)c1cn(C)cn1 ZINC000925382653 640021533 /nfs/dbraw/zinc/02/15/33/640021533.db2.gz MIFBRPICYUGDGB-NSHDSACASA-N 0 1 290.323 2.058 20 5 CEBDMN CC[C@@H](COC(=O)[C@@H]1CC1[N+](=O)[O-])CC(F)(F)F ZINC000842997585 640239088 /nfs/dbraw/zinc/23/90/88/640239088.db2.gz JPUMLSZTONOPHA-BWZBUEFSSA-N 0 1 269.219 2.173 20 5 CEBDMN O=C(OCCN1CCCCC1)c1csc([N+](=O)[O-])c1 ZINC000915874613 640640660 /nfs/dbraw/zinc/64/06/60/640640660.db2.gz QHRGWXKSCDBQCS-UHFFFAOYSA-N 0 1 284.337 2.299 20 5 CEBDMN Cc1nc(CCOC(=O)c2ccc([N+](=O)[O-])[nH]2)sc1C ZINC000845712009 641056098 /nfs/dbraw/zinc/05/60/98/641056098.db2.gz UOKKTDMUVWDDHX-UHFFFAOYSA-N 0 1 295.320 2.396 20 5 CEBDMN Cn1cc(CN2CCCC3(CCCC3)C2)c([N+](=O)[O-])n1 ZINC000877461726 650730051 /nfs/dbraw/zinc/73/00/51/650730051.db2.gz GFWCADGKFQKKGT-UHFFFAOYSA-N 0 1 278.356 2.485 20 5 CEBDMN O=[N+]([O-])c1cc2c(cc1CN[C@H]1C=CCC1)OCCO2 ZINC000850358804 642682094 /nfs/dbraw/zinc/68/20/94/642682094.db2.gz WUTRQQIGRCJYNC-NSHDSACASA-N 0 1 276.292 2.174 20 5 CEBDMN O=C(Nc1ccc(C(F)F)cc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000885583766 642855784 /nfs/dbraw/zinc/85/57/84/642855784.db2.gz CBIRQSPFUQJQST-RKDXNWHRSA-N 0 1 256.208 2.228 20 5 CEBDMN C[C@]1(COC(=O)c2ccc([N+](=O)[O-])[nH]2)CC1(F)F ZINC000851262284 642963124 /nfs/dbraw/zinc/96/31/24/642963124.db2.gz LJHLMJUYVKREEJ-SECBINFHSA-N 0 1 260.196 2.125 20 5 CEBDMN Cc1noc(CNC2(CCO)CCCCC2)c1[N+](=O)[O-] ZINC000851854736 643192913 /nfs/dbraw/zinc/19/29/13/643192913.db2.gz VRHUBGJIKNRXBY-UHFFFAOYSA-N 0 1 283.328 2.066 20 5 CEBDMN CC(=O)c1cc([N+](=O)[O-])ccc1N[C@H]1CCN(C2CC2)C1 ZINC000853231385 643717336 /nfs/dbraw/zinc/71/73/36/643717336.db2.gz HOSYLJQGWKKJPT-NSHDSACASA-N 0 1 289.335 2.446 20 5 CEBDMN O=C(NCc1cc(Cl)cc(Cl)c1)[C@@H]1CC1[N+](=O)[O-] ZINC000855150715 644257306 /nfs/dbraw/zinc/25/73/06/644257306.db2.gz BHNBHCDIXTXETL-NXEZZACHSA-N 0 1 289.118 2.275 20 5 CEBDMN C[C@H]1CC(OC(=O)c2ccc([N+](=O)[O-])[nH]2)C[C@H](C)O1 ZINC000756037505 644596133 /nfs/dbraw/zinc/59/61/33/644596133.db2.gz KSPBZUSRTOBOMY-YUMQZZPRSA-N 0 1 268.269 2.036 20 5 CEBDMN Cc1ccc(C(C)(C)CNC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC000839653124 644763134 /nfs/dbraw/zinc/76/31/34/644763134.db2.gz VPXXKCHYJCFEFH-CHWSQXEVSA-N 0 1 276.336 2.054 20 5 CEBDMN CN(CCc1ccc(Cl)cc1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839684992 644773361 /nfs/dbraw/zinc/77/33/61/644773361.db2.gz SJCVYLFKJDLJLL-VXGBXAGGSA-N 0 1 282.727 2.006 20 5 CEBDMN Cc1cc(C)cc(C[C@H](C)NC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC000839693280 644775524 /nfs/dbraw/zinc/77/55/24/644775524.db2.gz TXMUVPXKPXMUBU-IACUBPJLSA-N 0 1 276.336 2.016 20 5 CEBDMN O=C(Nc1ccc(OC2CCC2)c(F)c1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839697336 644777185 /nfs/dbraw/zinc/77/71/85/644777185.db2.gz FNXWVQSDVRLNCX-ZYHUDNBSSA-N 0 1 294.282 2.361 20 5 CEBDMN O=C(N[C@@H]1CC[C@H](Cc2ccccc2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000839732526 644784272 /nfs/dbraw/zinc/78/42/72/644784272.db2.gz FSHRFOFHMBMQKK-KBUPBQIOSA-N 0 1 288.347 2.179 20 5 CEBDMN C[C@@]1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCCc2ccccc21 ZINC000839717656 644790941 /nfs/dbraw/zinc/79/09/41/644790941.db2.gz GFPHEFXAUVTEOX-XPKDYRNWSA-N 0 1 288.347 2.062 20 5 CEBDMN CC[C@@H](c1ccccc1OC)N(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839768999 644799111 /nfs/dbraw/zinc/79/91/11/644799111.db2.gz FLDYQXJBNAYWRR-FRRDWIJNSA-N 0 1 292.335 2.270 20 5 CEBDMN COC1CCC(OC(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000757938239 644860562 /nfs/dbraw/zinc/86/05/62/644860562.db2.gz RUSMCEVMCUZZSF-UHFFFAOYSA-N 0 1 268.269 2.037 20 5 CEBDMN COCC[C@@H](OC(=O)c1ccc([N+](=O)[O-])[nH]1)C(C)C ZINC000757980176 644866727 /nfs/dbraw/zinc/86/67/27/644866727.db2.gz ITIKQRAJWMWXFC-SNVBAGLBSA-N 0 1 270.285 2.141 20 5 CEBDMN Cc1ccc(N2CCN(CCCF)CC2)c([N+](=O)[O-])c1 ZINC000858600492 645217300 /nfs/dbraw/zinc/21/73/00/645217300.db2.gz WJSPTZFYKPAXIB-UHFFFAOYSA-N 0 1 281.331 2.385 20 5 CEBDMN CCc1nc([C@H](C)NCc2cccc([N+](=O)[O-])c2C)n[nH]1 ZINC000763139468 645509278 /nfs/dbraw/zinc/50/92/78/645509278.db2.gz HLTXMWYNSIJXCP-JTQLQIEISA-N 0 1 289.339 2.435 20 5 CEBDMN C[S@](=O)CCCNCc1cc([N+](=O)[O-])ccc1Cl ZINC000116920002 645574889 /nfs/dbraw/zinc/57/48/89/645574889.db2.gz DYWBFCCCNOQVPL-GOSISDBHSA-N 0 1 290.772 2.106 20 5 CEBDMN C[C@H](NC[C@H]1CC2(CC2)C(=O)O1)c1ccccc1[N+](=O)[O-] ZINC000763756386 645574995 /nfs/dbraw/zinc/57/49/95/645574995.db2.gz ADYVEDMBIZPDEA-WDEREUQCSA-N 0 1 290.319 2.341 20 5 CEBDMN CCO[C@@H](C(=O)OCc1cc(O)ccc1[N+](=O)[O-])C1CC1 ZINC000859863505 645638060 /nfs/dbraw/zinc/63/80/60/645638060.db2.gz ARPHHOZHGJIKKB-CYBMUJFWSA-N 0 1 295.291 2.159 20 5 CEBDMN C[C@@H](OC(=O)c1ccc([N+](=O)[O-])[nH]1)c1ccco1 ZINC000764794512 645690704 /nfs/dbraw/zinc/69/07/04/645690704.db2.gz POAQAUUEBUUVOE-SSDOTTSWSA-N 0 1 250.210 2.434 20 5 CEBDMN CC[C@@H]1CN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)CCS1 ZINC000776589248 647076075 /nfs/dbraw/zinc/07/60/75/647076075.db2.gz QMHGOIPTSIGZJJ-KGLIPLIRSA-N 0 1 296.392 2.456 20 5 CEBDMN O=[N+]([O-])c1ccc(CNC[C@H](O)c2ccco2)c(F)c1 ZINC000778076458 647198428 /nfs/dbraw/zinc/19/84/28/647198428.db2.gz XTTIUFJJZYNPKX-LBPRGKRZSA-N 0 1 280.255 2.150 20 5 CEBDMN COC(=O)[C@@H](CC(C)(C)C)OC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000782665826 647649661 /nfs/dbraw/zinc/64/96/61/647649661.db2.gz VGBIZUXGHQOTJI-SECBINFHSA-N 0 1 298.295 2.058 20 5 CEBDMN C[C@@H](Cc1ccc(Cl)cc1)N(C)CC[N+](=O)[O-] ZINC000791051335 648476144 /nfs/dbraw/zinc/47/61/44/648476144.db2.gz AZFYIFKRYMKRNR-JTQLQIEISA-N 0 1 256.733 2.480 20 5 CEBDMN CCC[C@@H]1C[C@H]1NC(=O)[C@](C)(N)c1cccc([N+](=O)[O-])c1 ZINC000870913566 648952630 /nfs/dbraw/zinc/95/26/30/648952630.db2.gz XBAFKISEZWLSLM-WDBKCZKBSA-N 0 1 291.351 2.074 20 5 CEBDMN CC1(C)C=Cc2cccc(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])c2O1 ZINC000871114921 649007619 /nfs/dbraw/zinc/00/76/19/649007619.db2.gz UPCFGIWUTGBNRX-ZYHUDNBSSA-N 0 1 288.303 2.475 20 5 CEBDMN C[C@H](CCO)N[C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872037190 649249553 /nfs/dbraw/zinc/24/95/53/649249553.db2.gz BVCQEMSFUOWGRD-BDAKNGLRSA-N 0 1 256.277 2.155 20 5 CEBDMN Cc1nonc1CN[C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000872135469 649288616 /nfs/dbraw/zinc/28/86/16/649288616.db2.gz HKWVPQQIEGMFLF-MRVPVSSYSA-N 0 1 294.286 2.146 20 5 CEBDMN CC[C@@H](CCc1cccnc1)OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000873585059 649704714 /nfs/dbraw/zinc/70/47/14/649704714.db2.gz WXUWESAGLLZFKV-YNEHKIRRSA-N 0 1 278.308 2.001 20 5 CEBDMN O=[N+]([O-])c1ccccc1CN(CCC1OCCO1)C1CC1 ZINC000125139283 649815784 /nfs/dbraw/zinc/81/57/84/649815784.db2.gz VJJNVNWQMVRDJH-UHFFFAOYSA-N 0 1 292.335 2.322 20 5 CEBDMN CN1CCN(C(=O)CCC(C)(C)[N+](=O)[O-])C[C@H]1C(C)(C)C ZINC000880613526 651472021 /nfs/dbraw/zinc/47/20/21/651472021.db2.gz UNRKHDJNTKHAPE-LBPRGKRZSA-N 0 1 299.415 2.011 20 5 CEBDMN CN[C@@H](C)c1cn(Cc2ccc(Cl)c([N+](=O)[O-])c2)nn1 ZINC000881227099 651641151 /nfs/dbraw/zinc/64/11/51/651641151.db2.gz KCKCZLHKJVCKBM-QMMMGPOBSA-N 0 1 295.730 2.168 20 5 CEBDMN CCN1CC[C@H]1CNC(=O)c1c(C)ccc([N+](=O)[O-])c1C ZINC000882498803 652111702 /nfs/dbraw/zinc/11/17/02/652111702.db2.gz YCLWXEGRSUHXKM-LBPRGKRZSA-N 0 1 291.351 2.036 20 5 CEBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1C[C@@H]2CC[C@H]1c1ccccc12 ZINC000882745577 652201027 /nfs/dbraw/zinc/20/10/27/652201027.db2.gz XUUZYIVPGNXPRS-GSVCSZOMSA-N 0 1 272.304 2.113 20 5 CEBDMN CCN1CC[C@H]1CNc1ccc([N+](=O)[O-])c(OC(C)C)n1 ZINC000882959026 652289982 /nfs/dbraw/zinc/28/99/82/652289982.db2.gz SAKPUZQSKCAQLA-NSHDSACASA-N 0 1 294.355 2.283 20 5 CEBDMN CCN1CC[C@@H]1CNc1c(OC)cccc1[N+](=O)[O-] ZINC000882959885 652291026 /nfs/dbraw/zinc/29/10/26/652291026.db2.gz SOYAFKZPNFCWRZ-SNVBAGLBSA-N 0 1 265.313 2.110 20 5 CEBDMN CN1CC[C@H](Oc2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC001226908402 805789712 /nfs/dbraw/zinc/78/97/12/805789712.db2.gz GSMFCSYITYOIGR-ZETCQYMHSA-N 0 1 274.679 2.470 20 5 CEBDMN CCCC(=O)NCCN(CC)Cc1cccc([N+](=O)[O-])c1 ZINC001267234850 803267655 /nfs/dbraw/zinc/26/76/55/803267655.db2.gz QJMIDJCHOJQKEG-UHFFFAOYSA-N 0 1 293.367 2.333 20 5 CEBDMN O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CCCCC[C@H]1CO ZINC000157011846 807053771 /nfs/dbraw/zinc/05/37/71/807053771.db2.gz NEPAVIGRRHTAIE-ZDUSSCGKSA-N 0 1 282.315 2.471 20 5 CEBDMN O=[N+]([O-])c1ccc(F)cc1CN1CCCCC[C@H]1CO ZINC000157011846 807053777 /nfs/dbraw/zinc/05/37/77/807053777.db2.gz NEPAVIGRRHTAIE-ZDUSSCGKSA-N 0 1 282.315 2.471 20 5 CEBDMN O=[N+]([O-])c1cc(CN[C@@H]2COC3(CCC3)C2)cs1 ZINC000688283884 805563770 /nfs/dbraw/zinc/56/37/70/805563770.db2.gz SQWZKUFKPDOVJE-JTQLQIEISA-N 0 1 268.338 2.458 20 5 CEBDMN O=[N+]([O-])c1ccsc1N[C@H]1CN2CCC1CC2 ZINC001120891302 815291469 /nfs/dbraw/zinc/29/14/69/815291469.db2.gz YIWDVQQTQNPPLQ-VIFPVBQESA-N 0 1 253.327 2.162 20 5 CEBDMN CCN1CC[C@H]1CNC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000712338253 811198228 /nfs/dbraw/zinc/19/82/28/811198228.db2.gz URBQEPJIURSOIJ-VIFPVBQESA-N 0 1 297.742 2.072 20 5 CEBDMN Cc1ccc2c(c1)[C@H](N[C@H]1CC[C@@H](C[N+](=O)[O-])C1)C(=O)N2 ZINC001168964759 811316596 /nfs/dbraw/zinc/31/65/96/811316596.db2.gz VXOQNVFQRHTPLA-SUNKGSAMSA-N 0 1 289.335 2.023 20 5 CEBDMN Cc1cnc(CN)n1-c1ccnc2c1cccc2[N+](=O)[O-] ZINC001169029881 811344588 /nfs/dbraw/zinc/34/45/88/811344588.db2.gz WXXVFAUYGRNLKU-UHFFFAOYSA-N 0 1 283.291 2.096 20 5 CEBDMN Cc1cnc2c(c1)CN([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)CC2 ZINC001169048892 811356902 /nfs/dbraw/zinc/35/69/02/811356902.db2.gz VOFZMUNKLSWYRX-TZMCWYRMSA-N 0 1 275.352 2.194 20 5 CEBDMN [CH2]CC[N@@H+](CCN)[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172901720 815539307 /nfs/dbraw/zinc/53/93/07/815539307.db2.gz JRXUOUGYYPNOOJ-HNNXBMFYSA-N 0 1 290.387 2.327 20 5 CEBDMN [CH2]CCN(CC[NH3+])[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172901720 815539313 /nfs/dbraw/zinc/53/93/13/815539313.db2.gz JRXUOUGYYPNOOJ-HNNXBMFYSA-N 0 1 290.387 2.327 20 5 CEBDMN O=C(NOc1ccc(F)cc1)c1cc(O)cc([N+](=O)[O-])c1 ZINC001146550856 814294990 /nfs/dbraw/zinc/29/49/90/814294990.db2.gz LUNJFACKPQJQAU-UHFFFAOYSA-N 0 1 292.222 2.163 20 5 CEBDMN CCC(=O)CN[C@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173185516 815616871 /nfs/dbraw/zinc/61/68/71/815616871.db2.gz ZSGDLQLVFFVSAH-SECBINFHSA-N 0 1 298.314 2.242 20 5 CEBDMN Cc1cnc(CN[C@H](C)Cc2ccc([N+](=O)[O-])cc2)nc1 ZINC001173211143 815635414 /nfs/dbraw/zinc/63/54/14/815635414.db2.gz PVJZSZUNFDHXBM-GFCCVEGCSA-N 0 1 286.335 2.414 20 5 CEBDMN Cc1cc([N+](=O)[O-])ccc1NC[C@@H](C)CN1CCOCC1 ZINC000080646303 344018498 /nfs/dbraw/zinc/01/84/98/344018498.db2.gz HQGZDRHEWFMBEB-GFCCVEGCSA-N 0 1 293.367 2.283 20 5 CEBDMN C[C@@H]1CCc2[nH]n(-c3cccc([N+](=O)[O-])c3)c(=O)c21 ZINC000601932187 346929349 /nfs/dbraw/zinc/92/93/49/346929349.db2.gz OGIXPRGFVGMVFU-PELKAZGASA-N 0 1 259.265 2.344 20 5 CEBDMN COc1cc([N+](=O)[O-])ccc1N1N=C2CCCC[C@@H]2C1=O ZINC000601934781 346931542 /nfs/dbraw/zinc/93/15/42/346931542.db2.gz FOLUTDPAKYYBJK-JTQLQIEISA-N 0 1 289.291 2.496 20 5 CEBDMN COc1cc([N+](=O)[O-])ccc1-n1[nH]c2c(c1=O)CCCC2 ZINC000601934781 346931544 /nfs/dbraw/zinc/93/15/44/346931544.db2.gz FOLUTDPAKYYBJK-JTQLQIEISA-N 0 1 289.291 2.496 20 5 CEBDMN Cc1cc(N(C)C)nc(NCc2cccc([N+](=O)[O-])c2)n1 ZINC000067383889 343735640 /nfs/dbraw/zinc/73/56/40/343735640.db2.gz DIWIRKXXQXJBQO-UHFFFAOYSA-N 0 1 287.323 2.371 20 5 CEBDMN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)[C@@H](C)N(C)C ZINC000602030295 346965083 /nfs/dbraw/zinc/96/50/83/346965083.db2.gz LCDBPLNRRPVZHO-SNVBAGLBSA-N 0 1 265.313 2.100 20 5 CEBDMN COC[C@@H]1CCC[N@@H+](Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000093337358 344220303 /nfs/dbraw/zinc/22/03/03/344220303.db2.gz AMTWPVRGNNNKKA-LLVKDONJSA-N 0 1 280.324 2.159 20 5 CEBDMN O=[N+]([O-])c1ccc(O)cc1CN1CCOCC12CCC2 ZINC000093509795 344226063 /nfs/dbraw/zinc/22/60/63/344226063.db2.gz BTXXLULYSPBGDF-UHFFFAOYSA-N 0 1 278.308 2.055 20 5 CEBDMN Cc1cc([N+](=O)[O-])ccc1OCc1nc(C(C)(C)N)no1 ZINC000123122544 344309311 /nfs/dbraw/zinc/30/93/11/344309311.db2.gz VJBNQYSEJHDASR-UHFFFAOYSA-N 0 1 292.295 2.059 20 5 CEBDMN C[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)[C@@H](C(=O)[O-])C1 ZINC000229297856 344564963 /nfs/dbraw/zinc/56/49/63/344564963.db2.gz XNJQXCUMLTZCNA-ZWNOBZJWSA-N 0 1 278.308 2.280 20 5 CEBDMN C[C@@H]1CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)[C@@H](C(=O)[O-])C1 ZINC000229308822 344565393 /nfs/dbraw/zinc/56/53/93/344565393.db2.gz WKTHZVVHQYQAMN-BXUZGUMPSA-N 0 1 292.335 2.322 20 5 CEBDMN COc1ccc(CN(C)C[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000052103089 362466274 /nfs/dbraw/zinc/46/62/74/362466274.db2.gz UCRQVLZADSOMSB-LBPRGKRZSA-N 0 1 280.324 2.214 20 5 CEBDMN O=[N+]([O-])c1ccc2oc(CN[C@H]3CCSC3)nc2c1 ZINC000602563831 347079536 /nfs/dbraw/zinc/07/95/36/347079536.db2.gz PAJGRXXKRZECMN-QMMMGPOBSA-N 0 1 279.321 2.331 20 5 CEBDMN O=C([O-])C[C@@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000054299734 362524434 /nfs/dbraw/zinc/52/44/34/362524434.db2.gz KYDHUPDTRSAHOJ-LBPRGKRZSA-N 0 1 278.308 2.282 20 5 CEBDMN C[C@@H]1CN(C)[C@H](C)[C@H](C)N1C(=O)c1csc([N+](=O)[O-])c1 ZINC000593187904 345451413 /nfs/dbraw/zinc/45/14/13/345451413.db2.gz VVZYKIXEYKIBNQ-BBBLOLIVSA-N 0 1 297.380 2.209 20 5 CEBDMN C[C@@H]1CC[C@H](C(=O)[O-])[N@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000593291050 345463070 /nfs/dbraw/zinc/46/30/70/345463070.db2.gz WKLRWAALILBCHB-PRHODGIISA-N 0 1 282.271 2.171 20 5 CEBDMN O=C([O-])c1ccc([N+](=O)[O-])c(C[N@H+]2CC[C@H]3C[C@H]3C2)c1 ZINC000595279476 345753409 /nfs/dbraw/zinc/75/34/09/345753409.db2.gz PXZDTNYSNBNQIT-ONGXEEELSA-N 0 1 276.292 2.135 20 5 CEBDMN Cn1ncc(C2CC2)c1CNCc1ccc([N+](=O)[O-])cc1 ZINC000594925884 345704914 /nfs/dbraw/zinc/70/49/14/345704914.db2.gz PNOWSZLTUFWCFW-UHFFFAOYSA-N 0 1 286.335 2.496 20 5 CEBDMN O=[N+]([O-])c1ccc(CNCCO[C@H]2CC2(F)F)c(F)c1 ZINC000594971253 345719651 /nfs/dbraw/zinc/71/96/51/345719651.db2.gz YJTJUPQEHPPBQF-NSHDSACASA-N 0 1 290.241 2.248 20 5 CEBDMN COCC1(N[C@H](C)c2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000595030320 345730888 /nfs/dbraw/zinc/73/08/88/345730888.db2.gz QDYXOUVJESTFDM-SNVBAGLBSA-N 0 1 280.324 2.433 20 5 CEBDMN CCOc1cc(CN(C)Cc2cnc[nH]2)ccc1[N+](=O)[O-] ZINC000595592859 345820624 /nfs/dbraw/zinc/82/06/24/345820624.db2.gz RRZYIIZILRBWGN-UHFFFAOYSA-N 0 1 290.323 2.349 20 5 CEBDMN COC(=O)CC1(NCc2ccc(F)cc2[N+](=O)[O-])CCC1 ZINC000595424522 345778872 /nfs/dbraw/zinc/77/88/72/345778872.db2.gz OCFRVCRCPMXPHE-UHFFFAOYSA-N 0 1 296.298 2.309 20 5 CEBDMN COc1cc(CN(C)CC2=CCCOC2)ccc1[N+](=O)[O-] ZINC000595748005 345864689 /nfs/dbraw/zinc/86/46/89/345864689.db2.gz SMXBKVMTPMHNSF-UHFFFAOYSA-N 0 1 292.335 2.382 20 5 CEBDMN COc1cc([N+](=O)[O-])ccc1CN1C[C@@H](C)[C@](C)(CO)C1 ZINC000595860124 345900117 /nfs/dbraw/zinc/90/01/17/345900117.db2.gz HILKIHIZHFFUNN-ABAIWWIYSA-N 0 1 294.351 2.054 20 5 CEBDMN COc1cc(NCCc2nc[nH]n2)c(Cl)cc1[N+](=O)[O-] ZINC000596158031 345955075 /nfs/dbraw/zinc/95/50/75/345955075.db2.gz NJEMQJAPHWIMPQ-UHFFFAOYSA-N 0 1 297.702 2.030 20 5 CEBDMN COC1CCN(CCNc2cc(C)sc2[N+](=O)[O-])CC1 ZINC000596159973 345955941 /nfs/dbraw/zinc/95/59/41/345955941.db2.gz UHSJAKGGTOBRBC-UHFFFAOYSA-N 0 1 299.396 2.487 20 5 CEBDMN C[C@]1(C(=O)[O-])CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000062876888 362727762 /nfs/dbraw/zinc/72/77/62/362727762.db2.gz VXLLIUBEYGOPCG-AWEZNQCLSA-N 0 1 278.308 2.282 20 5 CEBDMN CCn1nncc1CNC/C=C/c1ccccc1[N+](=O)[O-] ZINC000598985385 346441997 /nfs/dbraw/zinc/44/19/97/346441997.db2.gz CUNVHWBFSNNKJB-FNORWQNLSA-N 0 1 287.323 2.009 20 5 CEBDMN COc1cc(CN(C)CC2(C)COC2)c([N+](=O)[O-])cc1F ZINC000599571563 346540098 /nfs/dbraw/zinc/54/00/98/346540098.db2.gz LRBGTMMACFMOTD-UHFFFAOYSA-N 0 1 298.314 2.211 20 5 CEBDMN Cn1cc(CN2CCC[C@]3(CCSC3)C2)c([N+](=O)[O-])n1 ZINC000602679909 347141076 /nfs/dbraw/zinc/14/10/76/347141076.db2.gz BHGNQNKANMWDQJ-ZDUSSCGKSA-N 0 1 296.396 2.047 20 5 CEBDMN C[C@@H]1C[C@H](NCc2nc3cc([N+](=O)[O-])ccc3o2)[C@@H](C)O1 ZINC000602733943 347177440 /nfs/dbraw/zinc/17/74/40/347177440.db2.gz GLWJVFOAGZQBOG-KKZNHRDASA-N 0 1 291.307 2.392 20 5 CEBDMN CN[C@H](C)c1cn([C@@H](C)c2cccc([N+](=O)[O-])c2)nn1 ZINC000603185627 347303302 /nfs/dbraw/zinc/30/33/02/347303302.db2.gz KSGYGBBUEZWXBA-ZJUUUORDSA-N 0 1 275.312 2.076 20 5 CEBDMN C[C@@H]1[C@@H](C)N(c2ncc(Cl)cc2[N+](=O)[O-])CCN1C ZINC000611298931 347764746 /nfs/dbraw/zinc/76/47/46/347764746.db2.gz CAZDFYBRJCPPLG-RKDXNWHRSA-N 0 1 284.747 2.172 20 5 CEBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CC2(C1)CC(F)(F)C2 ZINC000611559162 347794964 /nfs/dbraw/zinc/79/49/64/347794964.db2.gz UDTXAECWQPTRHN-UHFFFAOYSA-N 0 1 298.245 2.172 20 5 CEBDMN O=[N+]([O-])c1ccc(CN2CCOCC3(CC3)C2)cc1 ZINC000611815433 347819225 /nfs/dbraw/zinc/81/92/25/347819225.db2.gz CVHRFCCKXLFSCY-UHFFFAOYSA-N 0 1 262.309 2.207 20 5 CEBDMN Cc1ccc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)cn1 ZINC000357116909 233009553 /nfs/dbraw/zinc/00/95/53/233009553.db2.gz BQXZGQKVBVCWDG-UHFFFAOYSA-N 0 1 273.248 2.256 20 5 CEBDMN COc1cc(CN(C)C[C@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000351971824 219271367 /nfs/dbraw/zinc/27/13/67/219271367.db2.gz XIOOWCXDVDMOSI-GFCCVEGCSA-N 0 1 280.324 2.214 20 5 CEBDMN COc1ccc([N+](=O)[O-])cc1CN1CCC12CCOCC2 ZINC000618318127 348924053 /nfs/dbraw/zinc/92/40/53/348924053.db2.gz CIVQMCHXNWWADD-UHFFFAOYSA-N 0 1 292.335 2.358 20 5 CEBDMN COc1cc(CN2CCC23CCOCC3)ccc1[N+](=O)[O-] ZINC000618318359 348924777 /nfs/dbraw/zinc/92/47/77/348924777.db2.gz UKYFXQGXZGCUDV-UHFFFAOYSA-N 0 1 292.335 2.358 20 5 CEBDMN CCN1CC[C@H](N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1=O ZINC000619823351 349238268 /nfs/dbraw/zinc/23/82/68/349238268.db2.gz WDUKSQFVTLKCCC-AAEUAGOBSA-N 0 1 291.351 2.175 20 5 CEBDMN CCOCCO[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000157786886 188338176 /nfs/dbraw/zinc/33/81/76/188338176.db2.gz ULYSEGLMPSVCOW-HNNXBMFYSA-N 0 1 294.351 2.222 20 5 CEBDMN CC1(C)OCC[C@H]1NCc1c(F)cccc1[N+](=O)[O-] ZINC000451239594 282934561 /nfs/dbraw/zinc/93/45/61/282934561.db2.gz WSHDXTWDODCSHM-GFCCVEGCSA-N 0 1 268.288 2.391 20 5 CEBDMN Cc1c([C@@H](C)NCC(=O)NC(C)C)cccc1[N+](=O)[O-] ZINC000160951565 188499621 /nfs/dbraw/zinc/49/96/21/188499621.db2.gz PNCKTUDMTVHRPX-LLVKDONJSA-N 0 1 279.340 2.078 20 5 CEBDMN CCCC[C@H]1CCC[C@H]1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000132480467 366147362 /nfs/dbraw/zinc/14/73/62/366147362.db2.gz GWXMFJIGZKFHDK-VHSXEESVSA-N 0 1 280.328 2.407 20 5 CEBDMN CC(C)[C@@H](O)CNCc1cc([N+](=O)[O-])ccc1Cl ZINC000134695164 366351650 /nfs/dbraw/zinc/35/16/50/366351650.db2.gz MKLKMDICSJWSSV-LBPRGKRZSA-N 0 1 272.732 2.355 20 5 CEBDMN Cc1cc(C)c(CNC(=O)c2n[nH]cc2[N+](=O)[O-])c(C)c1 ZINC000135119095 366397845 /nfs/dbraw/zinc/39/78/45/366397845.db2.gz HLJNVYPFOZZVGY-UHFFFAOYSA-N 0 1 288.307 2.173 20 5 CEBDMN C[C@]1(C(=O)[O-])CCC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000079487986 363607945 /nfs/dbraw/zinc/60/79/45/363607945.db2.gz LWBMHCQAJGHYKI-CYBMUJFWSA-N 0 1 264.281 2.034 20 5 CEBDMN C[C@@]1(C(=O)[O-])CCC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000079490657 363608655 /nfs/dbraw/zinc/60/86/55/363608655.db2.gz UGVDVMQPGKBGSP-ZDUSSCGKSA-N 0 1 264.281 2.034 20 5 CEBDMN NC1(c2noc(-c3ccc([N+](=O)[O-])cc3)n2)CCCC1 ZINC000041152858 283408167 /nfs/dbraw/zinc/40/81/67/283408167.db2.gz ZFVIGHOLVDZRJE-UHFFFAOYSA-N 0 1 274.280 2.373 20 5 CEBDMN CCn1nccc1CN(C)CCc1cccc([N+](=O)[O-])c1 ZINC000338955343 366588459 /nfs/dbraw/zinc/58/84/59/366588459.db2.gz UOLANVSRBWTFTA-UHFFFAOYSA-N 0 1 288.351 2.486 20 5 CEBDMN C[C@@H](CO)[N@H+](Cc1cc([O-])ccc1[N+](=O)[O-])CC1CCC1 ZINC000339145097 366675560 /nfs/dbraw/zinc/67/55/60/366675560.db2.gz JRKJFHXLRHBEBH-NSHDSACASA-N 0 1 294.351 2.283 20 5 CEBDMN O=[N+]([O-])c1cccc(CN(Cc2cnc[nH]2)C2CC2)c1 ZINC000179318045 189185544 /nfs/dbraw/zinc/18/55/44/189185544.db2.gz NFWFHJORSVGGSO-UHFFFAOYSA-N 0 1 272.308 2.483 20 5 CEBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCCN(C)CC1 ZINC000180587824 189264098 /nfs/dbraw/zinc/26/40/98/189264098.db2.gz OIADAGNITYWMFU-UHFFFAOYSA-N 0 1 292.339 2.073 20 5 CEBDMN COCCN(CCO)Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000093005897 364129605 /nfs/dbraw/zinc/12/96/05/364129605.db2.gz DBECRRBWFCSRTG-UHFFFAOYSA-N 0 1 296.367 2.159 20 5 CEBDMN C[C@@H]1C[C@@H](Nc2c3c(ccc2[N+](=O)[O-])NCC3)CC[N@H+]1C ZINC000572082389 299344161 /nfs/dbraw/zinc/34/41/61/299344161.db2.gz NJHMTEXQCANHDN-MNOVXSKESA-N 0 1 290.367 2.457 20 5 CEBDMN C[C@H]1C[C@H](Nc2c3c(ccc2[N+](=O)[O-])NCC3)CC[N@H+]1C ZINC000572082391 299344057 /nfs/dbraw/zinc/34/40/57/299344057.db2.gz NJHMTEXQCANHDN-WDEREUQCSA-N 0 1 290.367 2.457 20 5 CEBDMN Cc1ccc(CN2CC[C@@H](O)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000275852815 193147426 /nfs/dbraw/zinc/14/74/26/193147426.db2.gz IEERMGCXFBLJTL-CQSZACIVSA-N 0 1 278.352 2.496 20 5 CEBDMN CCCC[C@@H](CC)CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000159671023 366937523 /nfs/dbraw/zinc/93/75/23/366937523.db2.gz NAQRNWYFIPOVMU-SECBINFHSA-N 0 1 268.317 2.264 20 5 CEBDMN O=C(NCc1ccc2ccccc2c1)c1n[nH]cc1[N+](=O)[O-] ZINC000159781528 366948022 /nfs/dbraw/zinc/94/80/22/366948022.db2.gz LCZFMZCWZJWRIQ-UHFFFAOYSA-N 0 1 296.286 2.401 20 5 CEBDMN CCN1CCN(Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@@H]1C ZINC000586768185 367188530 /nfs/dbraw/zinc/18/85/30/367188530.db2.gz ZCDXVXYRSPECEK-JTQLQIEISA-N 0 1 299.321 2.399 20 5 CEBDMN C[C@@H]1CCCN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000173167390 367876094 /nfs/dbraw/zinc/87/60/94/367876094.db2.gz OZHNGHDOXJLBKK-MRVPVSSYSA-N 0 1 274.280 2.096 20 5 CEBDMN CC(C)OC(=O)CCN(C)Cc1ccccc1[N+](=O)[O-] ZINC000173471045 367914013 /nfs/dbraw/zinc/91/40/13/367914013.db2.gz KWSXEJITHORKGN-UHFFFAOYSA-N 0 1 280.324 2.368 20 5 CEBDMN C[C@H](NCC(=O)NCC1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000180454528 368381412 /nfs/dbraw/zinc/38/14/12/368381412.db2.gz UBGBQACLHHHJGV-NSHDSACASA-N 0 1 291.351 2.162 20 5 CEBDMN CCc1[nH]nc(C(=O)N(CC(C)C)C2CC2)c1[N+](=O)[O-] ZINC000188147168 369306286 /nfs/dbraw/zinc/30/62/86/369306286.db2.gz QDCLLJRLNIHEHH-UHFFFAOYSA-N 0 1 280.328 2.141 20 5 CEBDMN O=C(N[C@H]1CCCc2cn[nH]c21)c1ccc([N+](=O)[O-])cc1 ZINC000268995778 284188155 /nfs/dbraw/zinc/18/81/55/284188155.db2.gz PROANLBZABFYKQ-LBPRGKRZSA-N 0 1 286.291 2.125 20 5 CEBDMN CCn1nccc1CNCc1cccc([N+](=O)[O-])c1C ZINC000231883916 370497217 /nfs/dbraw/zinc/49/72/17/370497217.db2.gz YAXRSFLCSLPSRR-UHFFFAOYSA-N 0 1 274.324 2.409 20 5 CEBDMN Cc1ccc(CN2CC[C@H](O)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000249979522 371373119 /nfs/dbraw/zinc/37/31/19/371373119.db2.gz LEXFWUZYCVEIRW-FZMZJTMJSA-N 0 1 264.325 2.106 20 5 CEBDMN C[C@H](C(=O)[O-])[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000262755879 371906568 /nfs/dbraw/zinc/90/65/68/371906568.db2.gz HRJXECOQKADNFG-SECBINFHSA-N 0 1 264.281 2.032 20 5 CEBDMN CCO[C@@H]1COCC[C@H]1NCc1c(F)cccc1[N+](=O)[O-] ZINC000362021456 372174620 /nfs/dbraw/zinc/17/46/20/372174620.db2.gz ZBNQMKOLADELEF-TZMCWYRMSA-N 0 1 298.314 2.018 20 5 CEBDMN CC1=CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000270173709 372688938 /nfs/dbraw/zinc/68/89/38/372688938.db2.gz VUPOTJUMBVQXPU-UHFFFAOYSA-N 0 1 286.291 2.263 20 5 CEBDMN O=C(N[C@@H]1CCC[C@@H]1c1ccc(F)cc1)[C@@H]1CC1[N+](=O)[O-] ZINC000365565629 372893665 /nfs/dbraw/zinc/89/36/65/372893665.db2.gz KAZTXCBCVIDWDO-AAVRWANBSA-N 0 1 292.310 2.243 20 5 CEBDMN CCc1nc([C@@H](C)Nc2ncc(Cl)cc2[N+](=O)[O-])n[nH]1 ZINC000270732990 372925222 /nfs/dbraw/zinc/92/52/22/372925222.db2.gz RNGULOBKQVTIFN-ZCFIWIBFSA-N 0 1 296.718 2.497 20 5 CEBDMN C[C@]1(CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)CCCS1 ZINC000272642803 373597248 /nfs/dbraw/zinc/59/72/48/373597248.db2.gz DUNNMAAZOIWIFU-CYBMUJFWSA-N 0 1 296.348 2.316 20 5 CEBDMN CC[C@@H](C)[C@@H](C)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272600559 373574958 /nfs/dbraw/zinc/57/49/58/373574958.db2.gz QTEPDGSNZGMCRT-RKDXNWHRSA-N 0 1 266.297 2.465 20 5 CEBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC=C(c2cccc(F)c2)CC1 ZINC000370252104 373616539 /nfs/dbraw/zinc/61/65/39/373616539.db2.gz YYMLOZQSQDSCIM-ZIAGYGMSSA-N 0 1 290.294 2.107 20 5 CEBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC=C(c2ccc(F)cc2)CC1 ZINC000371435330 373882137 /nfs/dbraw/zinc/88/21/37/373882137.db2.gz CDVQFHLOBIPIGJ-ZIAGYGMSSA-N 0 1 290.294 2.107 20 5 CEBDMN C[C@@H]1[C@H](Cc2ccccc2)CCN1C(=O)[C@H]1CC1[N+](=O)[O-] ZINC000377250456 374823159 /nfs/dbraw/zinc/82/31/59/374823159.db2.gz NDOJRGQXHMSEQN-UNQGMJICSA-N 0 1 288.347 2.131 20 5 CEBDMN Cc1nc([C@@H](C)Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])n[nH]1 ZINC000286319868 375911642 /nfs/dbraw/zinc/91/16/42/375911642.db2.gz IPIXWBBJDGVPCT-ZCFIWIBFSA-N 0 1 292.255 2.103 20 5 CEBDMN CC[N@H+]1CCCN(c2ccc([N+](=O)[O-])c(C(C)=O)c2)CC1 ZINC000287148846 376161515 /nfs/dbraw/zinc/16/15/15/376161515.db2.gz GDQDWZLMPDSDQC-UHFFFAOYSA-N 0 1 291.351 2.329 20 5 CEBDMN CC1(C)CC[C@H]1NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000287413681 376226578 /nfs/dbraw/zinc/22/65/78/376226578.db2.gz ZPIOMOZFIUCFNY-LLVKDONJSA-N 0 1 264.281 2.219 20 5 CEBDMN CC[C@@H](C)CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000421597765 376836988 /nfs/dbraw/zinc/83/69/88/376836988.db2.gz XAXVQAJWGKDIPT-MRVPVSSYSA-N 0 1 276.296 2.247 20 5 CEBDMN CC(C)(O)[C@H]1CCC[N@H+]1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000331200860 377324696 /nfs/dbraw/zinc/32/46/96/377324696.db2.gz NDUIAINSISATBX-CYBMUJFWSA-N 0 1 280.324 2.036 20 5 CEBDMN Cc1ccc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)nc1 ZINC000427937991 377469714 /nfs/dbraw/zinc/46/97/14/377469714.db2.gz MZNPQEFGGFOSQO-UHFFFAOYSA-N 0 1 273.248 2.256 20 5 CEBDMN O=[N+]([O-])c1ccc(CN2C[C@@H]3CC[C@@H](O)C[C@H]3C2)c(F)c1 ZINC000332234394 377548124 /nfs/dbraw/zinc/54/81/24/377548124.db2.gz PLHGXVBLOCOLKE-VHRBIJSZSA-N 0 1 294.326 2.327 20 5 CEBDMN C[C@@H]1CSCC[N@@H+](Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000332333185 377570726 /nfs/dbraw/zinc/57/07/26/377570726.db2.gz PRDXVYUEJHBLMM-JTQLQIEISA-N 0 1 282.365 2.485 20 5 CEBDMN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1cnc[nH]1 ZINC000265569448 190190614 /nfs/dbraw/zinc/19/06/14/190190614.db2.gz DNYRNNZRRWKOFR-UHFFFAOYSA-N 0 1 288.307 2.369 20 5 CEBDMN COc1ccc(OCCN2C[C@H](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000293525729 377609884 /nfs/dbraw/zinc/60/98/84/377609884.db2.gz WLJDMPXEMFQDJW-WDEREUQCSA-N 0 1 280.324 2.322 20 5 CEBDMN CN(Cc1ccc([N+](=O)[O-])cc1F)[C@@H]1CCCC[C@H]1O ZINC000313568657 249396296 /nfs/dbraw/zinc/39/62/96/249396296.db2.gz VNHOUGUBXBPWIS-ZIAGYGMSSA-N 0 1 282.315 2.469 20 5 CEBDMN C[C@H](C(=O)[O-])[N@@H+](C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000566056170 377714049 /nfs/dbraw/zinc/71/40/49/377714049.db2.gz MDDBNDBOXJSOOF-ONRRBMGISA-N 0 1 264.281 2.013 20 5 CEBDMN O=[N+]([O-])c1ccccc1N1CCCC[C@H]1c1nnc[nH]1 ZINC000294895485 378027449 /nfs/dbraw/zinc/02/74/49/378027449.db2.gz GPHUJVXUAGWXRS-LBPRGKRZSA-N 0 1 273.296 2.445 20 5 CEBDMN CCC[C@@H](O)CN1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000450484082 378444985 /nfs/dbraw/zinc/44/49/85/378444985.db2.gz KLXFOQKNBDBPIO-CQSZACIVSA-N 0 1 264.325 2.114 20 5 CEBDMN CCN1CCCN(C(=O)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000299598186 379062605 /nfs/dbraw/zinc/06/26/05/379062605.db2.gz GUNJVXYBUGGFCT-UHFFFAOYSA-N 0 1 291.351 2.071 20 5 CEBDMN CC(C)[C@@H]1C[C@H]1NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000458144472 380021882 /nfs/dbraw/zinc/02/18/82/380021882.db2.gz RHUKEGCRPBCLDW-JOYOIKCWSA-N 0 1 288.307 2.245 20 5 CEBDMN O=[N+]([O-])c1cccc(Cl)c1CN1C[C@@H]2CC[C@@H](O)[C@H]2C1 ZINC000252862783 285154182 /nfs/dbraw/zinc/15/41/82/285154182.db2.gz KTVQUBDJRUKSJA-PKFCDNJMSA-N 0 1 296.754 2.451 20 5 CEBDMN CO[C@H](C)CNCc1cc([N+](=O)[O-])ccc1Cl ZINC000191206208 130202139 /nfs/dbraw/zinc/20/21/39/130202139.db2.gz FPNXUENKTKSNLL-MRVPVSSYSA-N 0 1 258.705 2.373 20 5 CEBDMN COc1cc(CNCC=C(C)C)c([N+](=O)[O-])cc1O ZINC000191632450 130266441 /nfs/dbraw/zinc/26/64/41/130266441.db2.gz ANJMPXKVOKBXQU-UHFFFAOYSA-N 0 1 266.297 2.365 20 5 CEBDMN C[C@H](O)[C@H](C)SCc1cc(O)ccc1[N+](=O)[O-] ZINC000413003500 394458046 /nfs/dbraw/zinc/45/80/46/394458046.db2.gz XDVUDGAFKYABIH-YUMQZZPRSA-N 0 1 257.311 2.303 20 5 CEBDMN CCCN1CCN(c2cc(OC)cc(F)c2[N+](=O)[O-])CC1 ZINC000301434376 394460478 /nfs/dbraw/zinc/46/04/78/394460478.db2.gz ISCLVDQSQIHGGX-UHFFFAOYSA-N 0 1 297.330 2.275 20 5 CEBDMN Cc1nc([C@@H]2CCN(c3ccc(F)cc3[N+](=O)[O-])C2)n[nH]1 ZINC000413543268 394578113 /nfs/dbraw/zinc/57/81/13/394578113.db2.gz ACRPXGPOQZIZOF-SECBINFHSA-N 0 1 291.286 2.154 20 5 CEBDMN Cc1nnc([C@@H]2CCN(c3ccc(F)cc3[N+](=O)[O-])C2)[nH]1 ZINC000413543268 394578115 /nfs/dbraw/zinc/57/81/15/394578115.db2.gz ACRPXGPOQZIZOF-SECBINFHSA-N 0 1 291.286 2.154 20 5 CEBDMN COC[C@@H]1CCN(Cc2csc([N+](=O)[O-])c2)C1 ZINC000265841463 394654968 /nfs/dbraw/zinc/65/49/68/394654968.db2.gz WQLUKNDODOABHT-SECBINFHSA-N 0 1 256.327 2.125 20 5 CEBDMN Cc1ncc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)s1 ZINC000356796255 394616690 /nfs/dbraw/zinc/61/66/90/394616690.db2.gz FOEUOPSXNSPUCO-UHFFFAOYSA-N 0 1 279.277 2.318 20 5 CEBDMN CS[C@@H]1CC[N@@H+](Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000331301815 394630437 /nfs/dbraw/zinc/63/04/37/394630437.db2.gz CFBCJLYEJISGMB-LLVKDONJSA-N 0 1 268.338 2.238 20 5 CEBDMN COc1cc([N+](=O)[O-])ccc1CN1[C@H](C)CCC[C@@H]1CO ZINC000430212873 395164001 /nfs/dbraw/zinc/16/40/01/395164001.db2.gz QUXHSXNZTLORFZ-BXUZGUMPSA-N 0 1 294.351 2.339 20 5 CEBDMN CN(CCn1ccc([N+](=O)[O-])n1)Cc1cc(F)cc(F)c1 ZINC000444701980 395447608 /nfs/dbraw/zinc/44/76/08/395447608.db2.gz XKRKWVLKAGAWSX-UHFFFAOYSA-N 0 1 296.277 2.202 20 5 CEBDMN CCc1[nH]nc(C(=O)N(CC)CCC2CC2)c1[N+](=O)[O-] ZINC000355349134 395416739 /nfs/dbraw/zinc/41/67/39/395416739.db2.gz PKPOTUWETYRACI-UHFFFAOYSA-N 0 1 280.328 2.143 20 5 CEBDMN CC(C)NC(=O)[C@@H](C)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000228930022 153373435 /nfs/dbraw/zinc/37/34/35/153373435.db2.gz OGXMTGLHASCVIT-GHMZBOCLSA-N 0 1 279.340 2.159 20 5 CEBDMN Cc1cc(C)cc([C@@H]2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)c1 ZINC000368250028 156312520 /nfs/dbraw/zinc/31/25/20/156312520.db2.gz AYFZIKHEBKRNLM-YUELXQCFSA-N 0 1 288.347 2.285 20 5 CEBDMN O=[N+]([O-])c1ccccc1OCCN1CCC[C@H]2OCC[C@H]21 ZINC000376007294 157174238 /nfs/dbraw/zinc/17/42/38/157174238.db2.gz MQVHYJXVAFUBNI-TZMCWYRMSA-N 0 1 292.335 2.227 20 5 CEBDMN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc(O)c2)cc1 ZINC000020212994 171075301 /nfs/dbraw/zinc/07/53/01/171075301.db2.gz LJRDKQDYQKQXNC-UHFFFAOYSA-N 0 1 294.288 2.101 20 5 CEBDMN COC[C@H](C)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000035368081 172159431 /nfs/dbraw/zinc/15/94/31/172159431.db2.gz OIWSOTPXFGKJOZ-QMMMGPOBSA-N 0 1 258.705 2.373 20 5 CEBDMN Cc1c(C[N@H+]2CCC[C@@H]2CC(=O)[O-])cccc1[N+](=O)[O-] ZINC000042163509 174646336 /nfs/dbraw/zinc/64/63/36/174646336.db2.gz JYVSIWJKAJLCKK-GFCCVEGCSA-N 0 1 278.308 2.342 20 5 CEBDMN Cc1cc(CNCCc2ccc([N+](=O)[O-])cc2)no1 ZINC000044724740 175237714 /nfs/dbraw/zinc/23/77/14/175237714.db2.gz FIMFBJAAPBCACF-UHFFFAOYSA-N 0 1 261.281 2.224 20 5 CEBDMN CCC(CC)N(C(=O)c1n[nH]c(C)c1[N+](=O)[O-])C1CC1 ZINC000519135509 265328451 /nfs/dbraw/zinc/32/84/51/265328451.db2.gz DOTUQLFOPRIFGG-UHFFFAOYSA-N 0 1 280.328 2.420 20 5 CEBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CC(CC(F)F)C1 ZINC000425072168 271117915 /nfs/dbraw/zinc/11/79/15/271117915.db2.gz BVKWGNQPUHITCN-UHFFFAOYSA-N 0 1 286.234 2.028 20 5 CEBDMN CC(C)[C@@](C)(NCc1ccc(Cl)cc1[N+](=O)[O-])C(N)=O ZINC000312219298 273551219 /nfs/dbraw/zinc/55/12/19/273551219.db2.gz DIBHDIHACLJDBS-CYBMUJFWSA-N 0 1 299.758 2.238 20 5 CEBDMN CCC[C@@H]1CCCCN1Cc1c([N+](=O)[O-])ncn1C ZINC000330855372 276028316 /nfs/dbraw/zinc/02/83/16/276028316.db2.gz NIDXKRRGBAEIJT-LLVKDONJSA-N 0 1 266.345 2.483 20 5 CEBDMN Cc1c(Nc2nc3sccn3c2[N+](=O)[O-])cnn1C ZINC000362562304 278607083 /nfs/dbraw/zinc/60/70/83/278607083.db2.gz XZPHRLYTNTUONE-UHFFFAOYSA-N 0 1 278.297 2.090 20 5 CEBDMN Cc1cc(C(=O)N2CCN(C)CC[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000354009777 280329157 /nfs/dbraw/zinc/32/91/57/280329157.db2.gz VVNDNUAXBVPZGV-LBPRGKRZSA-N 0 1 291.351 2.069 20 5 CEBDMN Cc1ccccc1[C@@H](C)NCc1c([N+](=O)[O-])ncn1C ZINC000341063224 281355823 /nfs/dbraw/zinc/35/58/23/281355823.db2.gz DZPBROLSIYQPQR-LLVKDONJSA-N 0 1 274.324 2.488 20 5 CEBDMN CCCNC(=O)CN[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000158326302 289231801 /nfs/dbraw/zinc/23/18/01/289231801.db2.gz LSTQXFGIFXAUFG-LLVKDONJSA-N 0 1 279.340 2.080 20 5 CEBDMN Cc1cc(N[C@H]2CO[C@H](C)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000402029780 289289034 /nfs/dbraw/zinc/28/90/34/289289034.db2.gz IAUNPVBVYRZJMC-GHMZBOCLSA-N 0 1 287.319 2.463 20 5 CEBDMN Cc1nc([C@H]2CCCCN2c2ncc([N+](=O)[O-])s2)n[nH]1 ZINC000374587053 293387850 /nfs/dbraw/zinc/38/78/50/293387850.db2.gz VFQIRIRYTZKHRO-MRVPVSSYSA-N 0 1 294.340 2.209 20 5 CEBDMN COc1ccc(OCCN2[C@H](C)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000548096449 298393374 /nfs/dbraw/zinc/39/33/74/298393374.db2.gz YINMJEGDBFRWSQ-GHMZBOCLSA-N 0 1 280.324 2.465 20 5 CEBDMN C[C@H](NCC(=O)N(C)CC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000180400031 312767267 /nfs/dbraw/zinc/76/72/67/312767267.db2.gz JFBCUUQONISJEM-NSHDSACASA-N 0 1 291.351 2.114 20 5 CEBDMN O=[N+]([O-])c1cnn(CCN2CCC[C@H]2c2ccccn2)c1 ZINC000530724441 313305246 /nfs/dbraw/zinc/30/52/46/313305246.db2.gz KFUJUACTZJYMSX-AWEZNQCLSA-N 0 1 287.323 2.023 20 5 CEBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H]1CCCN(C)C1=O ZINC000532248275 313343937 /nfs/dbraw/zinc/34/39/37/313343937.db2.gz SNFXJDMAMBLGRZ-SMDDNHRTSA-N 0 1 291.351 2.175 20 5 CEBDMN COc1ccc(CN2CC[C@@H]3OCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000576515080 314283450 /nfs/dbraw/zinc/28/34/50/314283450.db2.gz KRQIMLDHZPWGSF-OCCSQVGLSA-N 0 1 292.335 2.214 20 5 CEBDMN CC(C)C[N@@H+](CC(=O)[O-])Cc1ccc([N+](=O)[O-])cc1 ZINC000062743366 519711886 /nfs/dbraw/zinc/71/18/86/519711886.db2.gz KEOQLCLVCWZKER-UHFFFAOYSA-N 0 1 266.297 2.137 20 5 CEBDMN CCOc1cc(N[C@@H](C)c2nnc[nH]2)ccc1[N+](=O)[O-] ZINC000226500504 520764428 /nfs/dbraw/zinc/76/44/28/520764428.db2.gz RCPWPJJLKUECKE-QMMMGPOBSA-N 0 1 277.284 2.285 20 5 CEBDMN CC1(c2ccccc2)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000372198859 520785337 /nfs/dbraw/zinc/78/53/37/520785337.db2.gz AMBRHGHYHTVRII-ZIAGYGMSSA-N 0 1 288.347 2.232 20 5 CEBDMN CCCN(C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000069092884 521501460 /nfs/dbraw/zinc/50/14/60/521501460.db2.gz LZCWMWPPCFNLKE-UHFFFAOYSA-N 0 1 276.296 2.487 20 5 CEBDMN C[C@@H](NCc1n[nH]c(C2CC2)n1)c1cccc([N+](=O)[O-])c1 ZINC000182797365 525558567 /nfs/dbraw/zinc/55/85/67/525558567.db2.gz SDMQPKRZEVDIRT-SECBINFHSA-N 0 1 287.323 2.441 20 5 CEBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@H]1c1ccc(Cl)cc1 ZINC000363419975 526500628 /nfs/dbraw/zinc/50/06/28/526500628.db2.gz RXHHMAZHYNMMHW-WOPDTQHZSA-N 0 1 280.711 2.279 20 5 CEBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@@H]1/C=C/c1cccs1 ZINC000364941723 526507577 /nfs/dbraw/zinc/50/75/77/526507577.db2.gz LLSQJMZTHQPNJP-CEBQCFOOSA-N 0 1 292.360 2.418 20 5 CEBDMN Cc1[nH]ncc1CNc1c(F)cccc1[N+](=O)[O-] ZINC000156433275 526556797 /nfs/dbraw/zinc/55/67/97/526556797.db2.gz BPBNIHMHRSUCLV-UHFFFAOYSA-N 0 1 250.233 2.378 20 5 CEBDMN O=[N+]([O-])c1ccc2[nH]c(CNC[C@@H]3CCC=CO3)nc2c1 ZINC000278745434 527379355 /nfs/dbraw/zinc/37/93/55/527379355.db2.gz ROSMYOBFZWCADE-NSHDSACASA-N 0 1 288.307 2.253 20 5 CEBDMN C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)CCCNC(=O)[O-] ZINC000739059785 574891519 /nfs/dbraw/zinc/89/15/19/574891519.db2.gz POHLRLFEJPOGKA-SNVBAGLBSA-N 0 1 281.312 2.245 20 5 CEBDMN C[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)CC[C@@H]1NC(=O)[O-] ZINC000739187135 574898357 /nfs/dbraw/zinc/89/83/57/574898357.db2.gz HVLPBHHUCNYHDG-GWCFXTLKSA-N 0 1 293.323 2.073 20 5 CEBDMN CN(C(=O)[O-])[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000739583039 574927621 /nfs/dbraw/zinc/92/76/21/574927621.db2.gz FMKKUOIGQOKXPH-CYBMUJFWSA-N 0 1 293.323 2.169 20 5 CEBDMN CN(C[C@@H]1CC[N@H+](Cc2csc([N+](=O)[O-])c2)C1)C(=O)[O-] ZINC000739663951 574930419 /nfs/dbraw/zinc/93/04/19/574930419.db2.gz DGXIIFLHZUKVNQ-VIFPVBQESA-N 0 1 299.352 2.088 20 5 CEBDMN CN(C[C@@H]1CC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1)C(=O)[O-] ZINC000739663951 574930421 /nfs/dbraw/zinc/93/04/21/574930421.db2.gz DGXIIFLHZUKVNQ-VIFPVBQESA-N 0 1 299.352 2.088 20 5 CEBDMN Cc1nn(CN2C[C@H](C)C[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000740860798 574969833 /nfs/dbraw/zinc/96/98/33/574969833.db2.gz INPWSUCNRIQAJH-BDAKNGLRSA-N 0 1 252.318 2.096 20 5 CEBDMN C[C@H](OC(=O)c1ccc([N+](=O)[O-])[nH]1)C(F)(F)F ZINC000744336189 575119052 /nfs/dbraw/zinc/11/90/52/575119052.db2.gz MXCAOHQEOGPZGL-BYPYZUCNSA-N 0 1 252.148 2.031 20 5 CEBDMN C[N@@H+](CCC(=O)[O-])Cc1ccc([N+](=O)[O-])cc1Cl ZINC000049964255 597720407 /nfs/dbraw/zinc/72/04/07/597720407.db2.gz BEULOZFEMVREAN-UHFFFAOYSA-N 0 1 272.688 2.155 20 5 CEBDMN C[C@@]1(C(=O)[O-])CC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000828029145 601922435 /nfs/dbraw/zinc/92/24/35/601922435.db2.gz SDVMWGXQNRVSSA-CYBMUJFWSA-N 0 1 282.271 2.031 20 5 CEBDMN Cc1c(C[N@H+]2CCC[C@H]2CNC(=O)[O-])cccc1[N+](=O)[O-] ZINC000829860131 604084634 /nfs/dbraw/zinc/08/46/34/604084634.db2.gz VHVBVLZCJPYCJG-LBPRGKRZSA-N 0 1 293.323 2.135 20 5 CEBDMN O=C([O-])C[N@@H+](Cc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000049964252 623275353 /nfs/dbraw/zinc/27/53/53/623275353.db2.gz SCYARIZBIVRGTA-UHFFFAOYSA-N 0 1 284.699 2.297 20 5 CEBDMN CO[C@H]1CC[C@H]1N(C)Cc1ccccc1[N+](=O)[O-] ZINC000934112664 624233844 /nfs/dbraw/zinc/23/38/44/624233844.db2.gz VCDKTRVRKCUZCF-OLZOCXBDSA-N 0 1 250.298 2.204 20 5 CEBDMN CCN1CCN(c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C[C@H]1C ZINC000892970001 627908650 /nfs/dbraw/zinc/90/86/50/627908650.db2.gz BPKYEAHXLMHTOP-SNVBAGLBSA-N 0 1 294.311 2.033 20 5 CEBDMN O=[N+]([O-])c1ccc(CN2CCC[C@H](CCO)C2)cc1F ZINC000094775833 628876276 /nfs/dbraw/zinc/87/62/76/628876276.db2.gz XJMCNBMEKSWHDL-LLVKDONJSA-N 0 1 282.315 2.328 20 5 CEBDMN NC1(c2noc(CCc3cccc([N+](=O)[O-])c3)n2)CCC1 ZINC000261662141 628972975 /nfs/dbraw/zinc/97/29/75/628972975.db2.gz FQMHWFQQFHLMJX-UHFFFAOYSA-N 0 1 288.307 2.101 20 5 CEBDMN Cc1nonc1[C@@H](C)NCCc1ccc([N+](=O)[O-])cc1 ZINC000924954793 629292132 /nfs/dbraw/zinc/29/21/32/629292132.db2.gz JXGSARHULKGXKM-SECBINFHSA-N 0 1 276.296 2.180 20 5 CEBDMN C[C@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccc(F)cc1F ZINC000840672626 629312706 /nfs/dbraw/zinc/31/27/06/629312706.db2.gz KERBBDDAQXUOMX-PTHKFVFGSA-N 0 1 271.219 2.234 20 5 CEBDMN O=C(OCc1cccc(Cl)c1F)[C@@H]1CC1[N+](=O)[O-] ZINC000840673034 629348498 /nfs/dbraw/zinc/34/84/98/629348498.db2.gz HIRBRNQBSHUYRI-VXNVDRBHSA-N 0 1 273.647 2.188 20 5 CEBDMN CCN(Cc1ccc(O)c(OC)c1[N+](=O)[O-])C[C@H](C)OC ZINC000894576690 629541887 /nfs/dbraw/zinc/54/18/87/629541887.db2.gz DMIHQPINXNBYRO-JTQLQIEISA-N 0 1 298.339 2.166 20 5 CEBDMN O=[N+]([O-])c1ccc([C@@H](O)CN2CCC(F)(F)CC2)cc1 ZINC000796539687 629927401 /nfs/dbraw/zinc/92/74/01/629927401.db2.gz CSZSPVKBOAPRNO-LBPRGKRZSA-N 0 1 286.278 2.359 20 5 CEBDMN CC(C)(C)N1CC[C@H]1C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000895940036 630412384 /nfs/dbraw/zinc/41/23/84/630412384.db2.gz DXNFZTLSIHCJTD-ZDUSSCGKSA-N 0 1 291.351 2.084 20 5 CEBDMN CC(C)(C)N1CC[C@@H]1C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000895940035 630412519 /nfs/dbraw/zinc/41/25/19/630412519.db2.gz DXNFZTLSIHCJTD-CYBMUJFWSA-N 0 1 291.351 2.084 20 5 CEBDMN CC(C)[C@@H](C(=O)OCCc1ccccc1[N+](=O)[O-])N(C)C ZINC000798841833 630938514 /nfs/dbraw/zinc/93/85/14/630938514.db2.gz PGEYFAQXHAZOHS-AWEZNQCLSA-N 0 1 294.351 2.267 20 5 CEBDMN O=[N+]([O-])c1ccc(CN2CCc3cn[nH]c3C2)cc1F ZINC000801524930 631282584 /nfs/dbraw/zinc/28/25/84/631282584.db2.gz NVTDUDVAHDDWKO-UHFFFAOYSA-N 0 1 276.271 2.015 20 5 CEBDMN CCOC(CN(C)CCc1cccc([N+](=O)[O-])c1)OCC ZINC000801600718 631298254 /nfs/dbraw/zinc/29/82/54/631298254.db2.gz TXRPQXLKOGECFS-UHFFFAOYSA-N 0 1 296.367 2.468 20 5 CEBDMN CCn1cc(CNC[C@@H](C)c2ccccc2[N+](=O)[O-])nn1 ZINC000897458576 631528936 /nfs/dbraw/zinc/52/89/36/631528936.db2.gz BXKFEAUCHVQQAS-LLVKDONJSA-N 0 1 289.339 2.100 20 5 CEBDMN CN(Cc1nnc[nH]1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000804472449 631689109 /nfs/dbraw/zinc/68/91/09/631689109.db2.gz BOPSXHGVFAAKRS-UHFFFAOYSA-N 0 1 267.676 2.003 20 5 CEBDMN C[C@H](CO)N(C)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000809746569 632139542 /nfs/dbraw/zinc/13/95/42/632139542.db2.gz XVABXXCVMCSGEK-MRVPVSSYSA-N 0 1 258.705 2.061 20 5 CEBDMN Cc1nc([C@@H](C)OC(=O)c2cc(F)ccc2[N+](=O)[O-])n[nH]1 ZINC000840222266 632333151 /nfs/dbraw/zinc/33/31/51/632333151.db2.gz BZIJUPLJVSTCII-ZCFIWIBFSA-N 0 1 294.242 2.078 20 5 CEBDMN CC[C@H](C)[C@@H](C)N(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CC1 ZINC000840326902 632916757 /nfs/dbraw/zinc/91/67/57/632916757.db2.gz MFORQFKPPOFLMR-LUTQBAROSA-N 0 1 254.330 2.077 20 5 CEBDMN C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@H](C)N1C ZINC000814929621 632932711 /nfs/dbraw/zinc/93/27/11/632932711.db2.gz SZABJFLXUMJTNG-AOOOYVTPSA-N 0 1 294.311 2.032 20 5 CEBDMN CC(C)(C)c1ccc(OCCNCC[N+](=O)[O-])cc1 ZINC000899861803 633056148 /nfs/dbraw/zinc/05/61/48/633056148.db2.gz ZBOGFZKXNZLUTD-UHFFFAOYSA-N 0 1 266.341 2.229 20 5 CEBDMN Cc1cccc(CNC[C@H](O)c2cccc([N+](=O)[O-])c2)n1 ZINC000818967227 634020566 /nfs/dbraw/zinc/02/05/66/634020566.db2.gz ZQVGSQAZNGWROY-HNNXBMFYSA-N 0 1 287.319 2.121 20 5 CEBDMN C[C@H](N[C@H]1COC[C@@H]1C)c1c(F)cccc1[N+](=O)[O-] ZINC000903392979 635089527 /nfs/dbraw/zinc/08/95/27/635089527.db2.gz CMJVVUVBAYVVHH-QXEWZRGKSA-N 0 1 268.288 2.419 20 5 CEBDMN CC(C)(C)c1cccc(OCCNCC[N+](=O)[O-])c1 ZINC000905116338 635824502 /nfs/dbraw/zinc/82/45/02/635824502.db2.gz BOWJIKMSWZEZAD-UHFFFAOYSA-N 0 1 266.341 2.229 20 5 CEBDMN C[C@H]1CCc2c(F)cccc2[C@@H]1NCC[N+](=O)[O-] ZINC000905156237 635832582 /nfs/dbraw/zinc/83/25/82/635832582.db2.gz XZNCJBXUOGMLDC-TVQRCGJNSA-N 0 1 252.289 2.315 20 5 CEBDMN CC(C)c1ccc(O[C@H](C)CNCC[N+](=O)[O-])cc1 ZINC000905255409 636176898 /nfs/dbraw/zinc/17/68/98/636176898.db2.gz HMCGKNWDTIRBLD-GFCCVEGCSA-N 0 1 266.341 2.444 20 5 CEBDMN C[C@H](NCC[N+](=O)[O-])[C@H](O)c1c(Cl)cccc1Cl ZINC000905365871 636246818 /nfs/dbraw/zinc/24/68/18/636246818.db2.gz REJQXASGFCQTEY-CPCISQLKSA-N 0 1 293.150 2.282 20 5 CEBDMN O=C(CC1CCOCC1)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837529080 639268472 /nfs/dbraw/zinc/26/84/72/639268472.db2.gz IARSULZMOXCPDJ-UHFFFAOYSA-N 0 1 295.291 2.160 20 5 CEBDMN CC[C@@H](NC)c1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000044626038 639348770 /nfs/dbraw/zinc/34/87/70/639348770.db2.gz KBSKXERQEKMSMM-SNVBAGLBSA-N 0 1 262.269 2.315 20 5 CEBDMN C[C@H](CCc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H]1C(=O)[O-] ZINC000840996415 639611593 /nfs/dbraw/zinc/61/15/93/639611593.db2.gz OBFONIYAXNADOY-BXUZGUMPSA-N 0 1 292.335 2.465 20 5 CEBDMN Cc1ccc(OC(=O)[C@@H]2CC2[N+](=O)[O-])cc1Cl ZINC000841333472 639741792 /nfs/dbraw/zinc/74/17/92/639741792.db2.gz YHFZAIAWUVYSPO-PSASIEDQSA-N 0 1 255.657 2.219 20 5 CEBDMN CC(C)(COC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccccc1 ZINC000842298333 640003187 /nfs/dbraw/zinc/00/31/87/640003187.db2.gz FKSBIAIMWVBPPR-VXGBXAGGSA-N 0 1 263.293 2.173 20 5 CEBDMN Cc1c2ccccc2oc1COC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000842308716 640006723 /nfs/dbraw/zinc/00/67/23/640006723.db2.gz XPOSTCDSEWMKEP-GHMZBOCLSA-N 0 1 275.260 2.450 20 5 CEBDMN CC(C)[C@@H](N)c1noc(CCc2cccc([N+](=O)[O-])c2)n1 ZINC000843149737 640309009 /nfs/dbraw/zinc/30/90/09/640309009.db2.gz PCKFHFFWVXDFIB-CYBMUJFWSA-N 0 1 290.323 2.419 20 5 CEBDMN C/C(=C/C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1)C(=O)[O-] ZINC000846263034 641246765 /nfs/dbraw/zinc/24/67/65/641246765.db2.gz XJVBAUFHOBXRNN-WDZFZDKYSA-N 0 1 278.308 2.100 20 5 CEBDMN CC1(C)C[C@@H](O)CN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000877753756 650897934 /nfs/dbraw/zinc/89/79/34/650897934.db2.gz RWCLFPJKELUMQY-CYBMUJFWSA-N 0 1 264.325 2.188 20 5 CEBDMN O=C(N[C@@H]1CCSc2ccccc21)[C@@H]1CC1[N+](=O)[O-] ZINC000839467060 644236786 /nfs/dbraw/zinc/23/67/86/644236786.db2.gz OEXNDBHQUJGKSQ-GMTAPVOTSA-N 0 1 278.333 2.005 20 5 CEBDMN O=C(N[C@H](c1ccco1)c1ccccc1)[C@@H]1CC1[N+](=O)[O-] ZINC000839472291 644237856 /nfs/dbraw/zinc/23/78/56/644237856.db2.gz MRKNAHGTSKSQQS-BZPMIXESSA-N 0 1 286.287 2.150 20 5 CEBDMN CC(C)n1ncc2ccc(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])cc21 ZINC000839605249 644752231 /nfs/dbraw/zinc/75/22/31/644752231.db2.gz IFZDMKROPLKIOC-DGCLKSJQSA-N 0 1 288.307 2.221 20 5 CEBDMN CCCC[C@H]1CCC[C@H]1NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839642176 644771427 /nfs/dbraw/zinc/77/14/27/644771427.db2.gz FKOILPFMQQJTEE-IRCOFANPSA-N 0 1 254.330 2.127 20 5 CEBDMN CCCCCC(C)(C)CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839699533 644777964 /nfs/dbraw/zinc/77/79/64/644777964.db2.gz COEUVUJLEGXBPP-GHMZBOCLSA-N 0 1 256.346 2.374 20 5 CEBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@H]1/C=C\c1ccccc1 ZINC000839721822 644792416 /nfs/dbraw/zinc/79/24/16/644792416.db2.gz PUGTUBIPFNZLNI-RQESLGEYSA-N 0 1 286.331 2.356 20 5 CEBDMN CN(Cc1ccc(Cl)c([N+](=O)[O-])c1)C1CC(O)C1 ZINC000759873276 645087585 /nfs/dbraw/zinc/08/75/85/645087585.db2.gz JQOVQMDKTPIUEQ-UHFFFAOYSA-N 0 1 270.716 2.203 20 5 CEBDMN COC(=O)CC(C)(C)NCc1ccc([N+](=O)[O-])cc1F ZINC000770192789 646367560 /nfs/dbraw/zinc/36/75/60/646367560.db2.gz UJBAJVGESZJDGC-UHFFFAOYSA-N 0 1 284.287 2.165 20 5 CEBDMN CC1(C)CCC(C)(C)N(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000862587368 646516113 /nfs/dbraw/zinc/51/61/13/646516113.db2.gz OBIQEZSFFHYZRU-NXEZZACHSA-N 0 1 254.330 2.079 20 5 CEBDMN Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)CN(C)C(C)C)CC2 ZINC000773990914 646793367 /nfs/dbraw/zinc/79/33/67/646793367.db2.gz QEFJOLIGFIJDEJ-UHFFFAOYSA-N 0 1 291.351 2.133 20 5 CEBDMN O=C(NCCC1CCC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000780630797 647453262 /nfs/dbraw/zinc/45/32/62/647453262.db2.gz QHGTXNQBKDDKGD-UHFFFAOYSA-N 0 1 264.281 2.220 20 5 CEBDMN CC1(C)C[C@@H](OC(=O)c2ccc([N+](=O)[O-])[nH]2)C(C)(C)O1 ZINC000783151362 647683320 /nfs/dbraw/zinc/68/33/20/647683320.db2.gz CCWKEHUUCURACM-SECBINFHSA-N 0 1 282.296 2.426 20 5 CEBDMN CN(Cc1ccc([N+](=O)[O-])c(Cl)c1)[C@@H]1CCOC1 ZINC000783559281 647729520 /nfs/dbraw/zinc/72/95/20/647729520.db2.gz MKAVVWOMALIBEU-SNVBAGLBSA-N 0 1 270.716 2.469 20 5 CEBDMN Cc1nn(CN(C)C[C@@H]2CC=CCC2)cc1[N+](=O)[O-] ZINC000784013700 647787092 /nfs/dbraw/zinc/78/70/92/647787092.db2.gz ITXWOPNXKSDMCU-GFCCVEGCSA-N 0 1 264.329 2.345 20 5 CEBDMN CC(C)(C)[C@@H]1CCN(Cn2nccc2[N+](=O)[O-])C1 ZINC000784033958 647791477 /nfs/dbraw/zinc/79/14/77/647791477.db2.gz IIZYTXDRVYXHBR-SNVBAGLBSA-N 0 1 252.318 2.117 20 5 CEBDMN CC[C@](C)(NC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccc(F)cc1 ZINC000869792309 648601649 /nfs/dbraw/zinc/60/16/49/648601649.db2.gz HVLPATLRTHJWFI-BZPMIXESSA-N 0 1 280.299 2.232 20 5 CEBDMN C[C@H](CCO)N[C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872037193 649249413 /nfs/dbraw/zinc/24/94/13/649249413.db2.gz BVCQEMSFUOWGRD-RKDXNWHRSA-N 0 1 256.277 2.155 20 5 CEBDMN CN(CCCCCC[NH3+])Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000872155507 649299473 /nfs/dbraw/zinc/29/94/73/649299473.db2.gz NUNUGTCGPGYQTI-UHFFFAOYSA-N 0 1 281.356 2.251 20 5 CEBDMN CCCc1[nH]nc(C(=O)N2CCC[C@@H](CF)C2)c1[N+](=O)[O-] ZINC000881595692 651812748 /nfs/dbraw/zinc/81/27/48/651812748.db2.gz NDBZWKHMOPMWGS-VIFPVBQESA-N 0 1 298.318 2.092 20 5 CEBDMN Cc1cc(Cl)nc(N2C[C@H](C)N(C)C[C@@H]2C)c1[N+](=O)[O-] ZINC001164638692 719179397 /nfs/dbraw/zinc/17/93/97/719179397.db2.gz RGGIASICOAKTBK-UWVGGRQHSA-N 0 1 298.774 2.480 20 5 CEBDMN Cc1cc([N+](=O)[O-])c(N2C[C@@H](C)N(C)C[C@@H]2C)nc1Cl ZINC001164641411 719181437 /nfs/dbraw/zinc/18/14/37/719181437.db2.gz WBUSJUVLZPSPKX-ZJUUUORDSA-N 0 1 298.774 2.480 20 5 CEBDMN C[C@@H]1CN(c2cc(Cl)cc([N+](=O)[O-])n2)[C@H](C)CN1C ZINC001164640144 719184765 /nfs/dbraw/zinc/18/47/65/719184765.db2.gz UTRZOMCMHMWUJW-RKDXNWHRSA-N 0 1 284.747 2.172 20 5 CEBDMN Cc1ccnc(N2CCN(C3CCCC3)CC2)c1[N+](=O)[O-] ZINC000265200924 721854003 /nfs/dbraw/zinc/85/40/03/721854003.db2.gz MWTOYSYKUORGJX-UHFFFAOYSA-N 0 1 290.367 2.363 20 5 CEBDMN CO[C@@H]1CCOC[C@H]1N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000724880326 803330452 /nfs/dbraw/zinc/33/04/52/803330452.db2.gz PCBRATBVKWISQX-ZLKJLUDKSA-N 0 1 280.324 2.049 20 5 CEBDMN CN1CC[C@H]1CNc1ccc2ncccc2c1[N+](=O)[O-] ZINC000712558550 814766916 /nfs/dbraw/zinc/76/69/16/814766916.db2.gz QXFRKYGMZMLIIT-JTQLQIEISA-N 0 1 272.308 2.259 20 5 CEBDMN C[C@@H]1CN(Cc2cc(F)ccc2[N+](=O)[O-])C[C@]1(C)CO ZINC000694696174 803580264 /nfs/dbraw/zinc/58/02/64/803580264.db2.gz XVGMNHCFDDSEPM-QMTHXVAHSA-N 0 1 282.315 2.184 20 5 CEBDMN O=[N+]([O-])c1cc(F)ccc1CN1CCC[C@@H](CO)CC1 ZINC000692810108 803927700 /nfs/dbraw/zinc/92/77/00/803927700.db2.gz GZCQJODDQKPJOX-LLVKDONJSA-N 0 1 282.315 2.328 20 5 CEBDMN Cc1nc(C)n(C[C@H](O)c2ccc([N+](=O)[O-])cc2)c1C ZINC001119559704 815131354 /nfs/dbraw/zinc/13/13/54/815131354.db2.gz ICWAMDHXVSSDFF-AWEZNQCLSA-N 0 1 275.308 2.450 20 5 CEBDMN NCc1nccnc1Nc1cc([N+](=O)[O-])ccc1Cl ZINC001171450461 815167684 /nfs/dbraw/zinc/16/76/84/815167684.db2.gz QVJOOHYACZENGB-UHFFFAOYSA-N 0 1 279.687 2.241 20 5 CEBDMN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC2(CC1)OCCO2 ZINC000028078593 809207781 /nfs/dbraw/zinc/20/77/81/809207781.db2.gz LTBNXORNMFIZBN-GFCCVEGCSA-N 0 1 292.335 2.495 20 5 CEBDMN C[C@@H]1CN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C[C@@H](C)N1 ZINC000700627720 809333486 /nfs/dbraw/zinc/33/34/86/809333486.db2.gz JTZVEHIWJIRVTO-RKDXNWHRSA-N 0 1 297.742 2.071 20 5 CEBDMN C[C@H]1CN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C[C@H](C)N1 ZINC000700627719 809333627 /nfs/dbraw/zinc/33/36/27/809333627.db2.gz JTZVEHIWJIRVTO-IUCAKERBSA-N 0 1 297.742 2.071 20 5 CEBDMN CCc1[nH]nc(C(=O)N2CC[C@@H]2C(C)(C)C)c1[N+](=O)[O-] ZINC001120850090 815286388 /nfs/dbraw/zinc/28/63/88/815286388.db2.gz OWKKLKDDLDXHDO-SECBINFHSA-N 0 1 280.328 2.141 20 5 CEBDMN O=C([O-])[C@]12CCC[C@H]1[N@@H+](Cc1csc([N+](=O)[O-])c1)CC2 ZINC000711628853 810087700 /nfs/dbraw/zinc/08/77/00/810087700.db2.gz YOYBKNOZBMPUHE-MFKMUULPSA-N 0 1 296.348 2.486 20 5 CEBDMN Cc1c(CN2CCC[C@H]2c2nnc[nH]2)cccc1[N+](=O)[O-] ZINC000829053684 810857925 /nfs/dbraw/zinc/85/79/25/810857925.db2.gz FHAYVJNUHFAMHB-ZDUSSCGKSA-N 0 1 287.323 2.358 20 5 CEBDMN O=[N+]([O-])c1cc(CN2C[C@@H]3[C@H](O)CC[C@@H]3C2)ccc1Cl ZINC000712295989 811181312 /nfs/dbraw/zinc/18/13/12/811181312.db2.gz RABMPRHKZQVFJI-UHIISALHSA-N 0 1 296.754 2.451 20 5 CEBDMN Cc1ccc2c(c1)[C@H](N[C@H]1CC[C@H](C[N+](=O)[O-])C1)C(=O)N2 ZINC001168964758 811316781 /nfs/dbraw/zinc/31/67/81/811316781.db2.gz VXOQNVFQRHTPLA-MJVIPROJSA-N 0 1 289.335 2.023 20 5 CEBDMN O=[N+]([O-])C[C@@H]1CC[C@@H](NC2(c3cccc(F)c3)COC2)C1 ZINC001168972551 811321514 /nfs/dbraw/zinc/32/15/14/811321514.db2.gz NIAYEQBJPSGDTP-BXUZGUMPSA-N 0 1 294.326 2.086 20 5 CEBDMN COc1cccc2c1CN([C@H]1CC[C@@H](C[N+](=O)[O-])C1)CC2 ZINC001169007649 811332399 /nfs/dbraw/zinc/33/23/99/811332399.db2.gz OWYAWPPEJHPLBH-OCCSQVGLSA-N 0 1 290.363 2.499 20 5 CEBDMN CCN(CC(=O)OC(C)(C)C)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169040367 811349947 /nfs/dbraw/zinc/34/99/47/811349947.db2.gz ZJSZUSSNISEEAL-NWDGAFQWSA-N 0 1 286.372 2.095 20 5 CEBDMN CC(=O)NC1(C)CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC001045338740 811595633 /nfs/dbraw/zinc/59/56/33/811595633.db2.gz MWZGYTWBDDOICH-UHFFFAOYSA-N 0 1 291.351 2.085 20 5 CEBDMN CC[C@@](C)(NC(=O)c1n[nH]cc1[N+](=O)[O-])c1ccccc1 ZINC001146926572 814347171 /nfs/dbraw/zinc/34/71/71/814347171.db2.gz OCTUHSWYNDQLBW-CQSZACIVSA-N 0 1 288.307 2.373 20 5 CEBDMN CCOc1cc(NC[C@@H]2CCN2C)ccc1[N+](=O)[O-] ZINC000712549092 814765526 /nfs/dbraw/zinc/76/55/26/814765526.db2.gz RECLLDGPOUQNHC-NSHDSACASA-N 0 1 265.313 2.110 20 5 CEBDMN C[C@@H](N[C@@H](C)Cc1ccccc1[N+](=O)[O-])c1nncn1C ZINC000449126920 282110251 /nfs/dbraw/zinc/11/02/51/282110251.db2.gz NUAUPYDDLQYLOJ-WDEREUQCSA-N 0 1 289.339 2.005 20 5 CEBDMN CCc1[nH]nc(C(=O)N2CCC(CCF)CC2)c1[N+](=O)[O-] ZINC000601747588 346890458 /nfs/dbraw/zinc/89/04/58/346890458.db2.gz PMQUKSYOQVOCQW-UHFFFAOYSA-N 0 1 298.318 2.092 20 5 CEBDMN NC1(c2noc(-c3ccccc3[N+](=O)[O-])n2)CCCC1 ZINC000041152864 362023312 /nfs/dbraw/zinc/02/33/12/362023312.db2.gz BEQFVXYUKXFDNT-UHFFFAOYSA-N 0 1 274.280 2.373 20 5 CEBDMN C[C@@H]1CCc2[nH]n(-c3cccc([N+](=O)[O-])c3)c(=O)c21 ZINC000601932188 346929460 /nfs/dbraw/zinc/92/94/60/346929460.db2.gz OGIXPRGFVGMVFU-PRHODGIISA-N 0 1 259.265 2.344 20 5 CEBDMN COc1cc([N+](=O)[O-])ccc1-n1[nH]c(C)c(C2CC2)c1=O ZINC000601936078 346932076 /nfs/dbraw/zinc/93/20/76/346932076.db2.gz OXONAZYKOKPYFJ-ZDUSSCGKSA-N 0 1 289.291 2.352 20 5 CEBDMN C[C@@H](CN1CCCCC1)NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000032663126 343414828 /nfs/dbraw/zinc/41/48/28/343414828.db2.gz WRKHHMYLBNIIOO-JTQLQIEISA-N 0 1 297.380 2.261 20 5 CEBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCCCC[C@H]1c1ccncc1 ZINC000044525273 343473442 /nfs/dbraw/zinc/47/34/42/343473442.db2.gz VJNWTSKXYAINRC-RDBSUJKOSA-N 0 1 289.335 2.191 20 5 CEBDMN CC(=O)NC1CCN(Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000050990523 343547305 /nfs/dbraw/zinc/54/73/05/343547305.db2.gz HNPGWSDUKVRNHV-UHFFFAOYSA-N 0 1 291.351 2.004 20 5 CEBDMN O=C(N[C@H](c1ccccc1)C(F)F)c1n[nH]cc1[N+](=O)[O-] ZINC000351489369 219104095 /nfs/dbraw/zinc/10/40/95/219104095.db2.gz YVHZMYQDSPDKGF-SECBINFHSA-N 0 1 296.233 2.054 20 5 CEBDMN O=C(N[C@@H](c1ccccc1)C(F)F)c1n[nH]cc1[N+](=O)[O-] ZINC000351489370 219104121 /nfs/dbraw/zinc/10/41/21/219104121.db2.gz YVHZMYQDSPDKGF-VIFPVBQESA-N 0 1 296.233 2.054 20 5 CEBDMN Cc1[nH]ncc1CN(C)C(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000602169404 346987048 /nfs/dbraw/zinc/98/70/48/346987048.db2.gz YPTPSLOEOKGJIR-UHFFFAOYSA-N 0 1 288.307 2.207 20 5 CEBDMN CS[C@H]1CCCCN(Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602488988 347057158 /nfs/dbraw/zinc/05/71/58/347057158.db2.gz XRJFTTJNMOCUKU-NSHDSACASA-N 0 1 284.385 2.046 20 5 CEBDMN O=[N+]([O-])c1ccc(CN2CCCCC[C@@H]2CO)c(F)c1 ZINC000313496348 344742815 /nfs/dbraw/zinc/74/28/15/344742815.db2.gz JWVQDVFFPIHXHZ-CYBMUJFWSA-N 0 1 282.315 2.471 20 5 CEBDMN C[C@H]1C[N@@H+](Cc2csc([N+](=O)[O-])c2)CC[C@@H]1C(=O)[O-] ZINC000388861584 344834404 /nfs/dbraw/zinc/83/44/04/344834404.db2.gz FYPGJUJLPRAHJL-WPRPVWTQSA-N 0 1 284.337 2.199 20 5 CEBDMN CC[C@@H](NCc1ccc(C(C)C)c([N+](=O)[O-])c1)C(=O)NC ZINC000449773262 282362409 /nfs/dbraw/zinc/36/24/09/282362409.db2.gz JSODOEUZQYQCAX-CYBMUJFWSA-N 0 1 293.367 2.332 20 5 CEBDMN C[C@H]1C[C@H](NCc2ccc([N+](=O)[O-])cc2F)CO1 ZINC000402266888 344872336 /nfs/dbraw/zinc/87/23/36/344872336.db2.gz IKRZJYKFIDMAOE-WPRPVWTQSA-N 0 1 254.261 2.001 20 5 CEBDMN CCCN(C)Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000589494315 345084694 /nfs/dbraw/zinc/08/46/94/345084694.db2.gz NVUPKUKWOPBCQN-UHFFFAOYSA-N 0 1 266.297 2.223 20 5 CEBDMN C[C@@H]1[C@H](O)CCN1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000590661459 345157199 /nfs/dbraw/zinc/15/71/99/345157199.db2.gz ROLKFXMTQPMLCM-JDRNFJBZSA-N 0 1 262.309 2.063 20 5 CEBDMN C[C@H]1CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@@H]1C(=O)[O-] ZINC000592396840 345350047 /nfs/dbraw/zinc/35/00/47/345350047.db2.gz BKNCPNLDPPEKDK-FZMZJTMJSA-N 0 1 292.335 2.180 20 5 CEBDMN C[C@H]1CC[C@H](C(=O)[O-])C[N@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000592396503 345350067 /nfs/dbraw/zinc/35/00/67/345350067.db2.gz QSLXKIGVGFTYNO-UWVGGRQHSA-N 0 1 296.298 2.419 20 5 CEBDMN C[C@@H](N(C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(C)(C)O ZINC000295107279 199347984 /nfs/dbraw/zinc/34/79/84/199347984.db2.gz HDWPRHYOJPEKMM-SECBINFHSA-N 0 1 297.311 2.094 20 5 CEBDMN C[NH2+]CCC1CCN(Cc2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC000593728011 345528525 /nfs/dbraw/zinc/52/85/25/345528525.db2.gz VHLIJDLXNZTJRR-UHFFFAOYSA-N 0 1 293.367 2.122 20 5 CEBDMN CN(CCN1CCCCC1)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000593883430 345548424 /nfs/dbraw/zinc/54/84/24/345548424.db2.gz MZEISADFDXHBJA-UHFFFAOYSA-N 0 1 297.380 2.214 20 5 CEBDMN CC1(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)CC=CC1 ZINC000594382893 345619166 /nfs/dbraw/zinc/61/91/66/345619166.db2.gz SBBWXFGITYLTAR-UHFFFAOYSA-N 0 1 262.265 2.139 20 5 CEBDMN COc1cc([N+](=O)[O-])ccc1[C@@H](C)N[C@@H]1C[C@]1(C)OC ZINC000595104995 345742705 /nfs/dbraw/zinc/74/27/05/345742705.db2.gz COUCEXBSQHOAGT-FZQKWOKYSA-N 0 1 280.324 2.431 20 5 CEBDMN Cc1noc(CN2CCC[C@@H]2C2CC2)c1[N+](=O)[O-] ZINC000595310108 345759970 /nfs/dbraw/zinc/75/99/70/345759970.db2.gz UINOAIQBQFOZDZ-SNVBAGLBSA-N 0 1 251.286 2.266 20 5 CEBDMN COC[C@H](C)N[C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595006610 345725533 /nfs/dbraw/zinc/72/55/33/345725533.db2.gz MBUYIVSXOAMMBT-UWVGGRQHSA-N 0 1 268.313 2.289 20 5 CEBDMN Cc1noc(CN[C@H](CCO)C2CCCCC2)c1[N+](=O)[O-] ZINC000595424216 345778423 /nfs/dbraw/zinc/77/84/23/345778423.db2.gz PIELSBIACINFSG-GFCCVEGCSA-N 0 1 297.355 2.312 20 5 CEBDMN CC12CC(C1)C[N@H+]2Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000596056417 345929587 /nfs/dbraw/zinc/92/95/87/345929587.db2.gz ZEAPTWWWXLLHER-UHFFFAOYSA-N 0 1 276.292 2.277 20 5 CEBDMN C[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2F)C[C@@]1(C)CO ZINC000595871959 345903286 /nfs/dbraw/zinc/90/32/86/345903286.db2.gz JEWNRYJPBLGZLI-HZMBPMFUSA-N 0 1 282.315 2.184 20 5 CEBDMN COc1ccc([N+](=O)[O-])cc1CN[C@@H]1CO[C@@H](C2CC2)C1 ZINC000597055656 346121777 /nfs/dbraw/zinc/12/17/77/346121777.db2.gz NHQRIYHVSZWCIG-SWLSCSKDSA-N 0 1 292.335 2.261 20 5 CEBDMN COC(=O)[C@H]1C[C@H](NCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000597241442 346159130 /nfs/dbraw/zinc/15/91/30/346159130.db2.gz DRRMMBICZORMOF-MGCOHNPYSA-N 0 1 298.726 2.289 20 5 CEBDMN CCOC1CC([N@H+](C)Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000339197917 215008887 /nfs/dbraw/zinc/00/88/87/215008887.db2.gz GDHNGCNJTCZDQT-UHFFFAOYSA-N 0 1 280.324 2.300 20 5 CEBDMN CCOC1CC([N@@H+](C)Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000339197917 215008889 /nfs/dbraw/zinc/00/88/89/215008889.db2.gz GDHNGCNJTCZDQT-UHFFFAOYSA-N 0 1 280.324 2.300 20 5 CEBDMN CC1(C)C[C@]1(C)NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000598388482 346344356 /nfs/dbraw/zinc/34/43/56/346344356.db2.gz YPNIQQMSQOVIIM-AWEZNQCLSA-N 0 1 288.307 2.390 20 5 CEBDMN CC1(C)OC[C@H]2C[C@]21NCc1csc([N+](=O)[O-])c1 ZINC000598988381 346442708 /nfs/dbraw/zinc/44/27/08/346442708.db2.gz QTPBJMIAVMLHCL-SKDRFNHKSA-N 0 1 268.338 2.313 20 5 CEBDMN COCC(C)(C)NCc1ccc([N+](=O)[O-])cc1F ZINC000336791717 365813253 /nfs/dbraw/zinc/81/32/53/365813253.db2.gz ORRKLZBZDYIFRI-UHFFFAOYSA-N 0 1 256.277 2.249 20 5 CEBDMN O=C(Nc1nc(-c2ccco2)n[nH]1)c1ccccc1[N+](=O)[O-] ZINC000351757218 219197984 /nfs/dbraw/zinc/19/79/84/219197984.db2.gz SOEJKTCDTOWNBB-UHFFFAOYSA-N 0 1 299.246 2.225 20 5 CEBDMN Cc1ccc(C[N@H+]2CC[C@@H](C(=O)[O-])[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000600800978 346693041 /nfs/dbraw/zinc/69/30/41/346693041.db2.gz OYJZIWWFFWCESF-WCQYABFASA-N 0 1 292.335 2.446 20 5 CEBDMN C/C=C\C[C@@H]1CCCN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])C1 ZINC000600805372 346693703 /nfs/dbraw/zinc/69/37/03/346693703.db2.gz FKAXUWRIEHNECZ-DLRQAJBASA-N 0 1 292.339 2.445 20 5 CEBDMN Cc1ccc(CN[C@H](C)[C@@H](O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000601150886 346770675 /nfs/dbraw/zinc/77/06/75/346770675.db2.gz HEYFDFQWFIMMEQ-LDYMZIIASA-N 0 1 292.257 2.305 20 5 CEBDMN CC(C)(C)N1CC[C@H]1CNc1ncc(F)cc1[N+](=O)[O-] ZINC000601190977 346782142 /nfs/dbraw/zinc/78/21/42/346782142.db2.gz HRHAWCYPTKHYMQ-JTQLQIEISA-N 0 1 282.319 2.414 20 5 CEBDMN Cc1ccc([N+](=O)[O-])c(N2CC(N3CCCC3)C2)c1 ZINC000601193776 346782886 /nfs/dbraw/zinc/78/28/86/346782886.db2.gz PCXCAJHZOODQKR-UHFFFAOYSA-N 0 1 261.325 2.188 20 5 CEBDMN O=[N+]([O-])c1ccc2oc(CNCC3=CCOCC3)nc2c1 ZINC000602675915 347138196 /nfs/dbraw/zinc/13/81/96/347138196.db2.gz WVVVDALLQSDTRU-UHFFFAOYSA-N 0 1 289.291 2.172 20 5 CEBDMN CC[C@H]1CCCCN1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602757667 347186922 /nfs/dbraw/zinc/18/69/22/347186922.db2.gz CTRRNXXFMHKEEQ-NSHDSACASA-N 0 1 252.318 2.093 20 5 CEBDMN Cc1ncc([N+](=O)[O-])n1CCN1CCCc2occc2C1 ZINC000602831830 347217392 /nfs/dbraw/zinc/21/73/92/347217392.db2.gz IOVWYVFFBDTKBZ-UHFFFAOYSA-N 0 1 290.323 2.141 20 5 CEBDMN C[C@H](c1ccccc1[N+](=O)[O-])n1cc(CNC2CC2)nn1 ZINC000603220933 347313357 /nfs/dbraw/zinc/31/33/57/347313357.db2.gz XQIPQGBBODAJJE-SNVBAGLBSA-N 0 1 287.323 2.048 20 5 CEBDMN CC1(C)[C@H](O)C[C@@H]1NCc1cc([N+](=O)[O-])ccc1Cl ZINC000129654730 365882644 /nfs/dbraw/zinc/88/26/44/365882644.db2.gz XGYASAUXALFXDW-NWDGAFQWSA-N 0 1 284.743 2.497 20 5 CEBDMN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)[C@H](C)N(C)C ZINC000610560159 347691801 /nfs/dbraw/zinc/69/18/01/347691801.db2.gz LCDBPLNRRPVZHO-JTQLQIEISA-N 0 1 265.313 2.100 20 5 CEBDMN CCN1CCN(c2cc(OC)c(F)cc2[N+](=O)[O-])C[C@H]1C ZINC000611084676 347738078 /nfs/dbraw/zinc/73/80/78/347738078.db2.gz IYLCFMBTVZVPTL-SNVBAGLBSA-N 0 1 297.330 2.273 20 5 CEBDMN C[C@@H]1CN(Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@@H](C)N1C ZINC000339619785 215273007 /nfs/dbraw/zinc/27/30/07/215273007.db2.gz QTJHTKYISLHSDQ-NXEZZACHSA-N 0 1 299.321 2.397 20 5 CEBDMN COC[C@H]1CCN(Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000352234998 219375844 /nfs/dbraw/zinc/37/58/44/219375844.db2.gz PWZDVDWTDCPGAI-JTQLQIEISA-N 0 1 268.288 2.202 20 5 CEBDMN O=C(NCc1ccccc1[N+](=O)[O-])c1ccc2cncn2c1 ZINC000339830113 215354256 /nfs/dbraw/zinc/35/42/56/215354256.db2.gz KZGPJHOMVNZWJD-UHFFFAOYSA-N 0 1 296.286 2.173 20 5 CEBDMN CC1(C)[C@@H]2CC[C@@]1(C)[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])C2 ZINC000153230907 188071911 /nfs/dbraw/zinc/07/19/11/188071911.db2.gz YFQSYNKIJGVADV-PWZJLYFZSA-N 0 1 292.339 2.263 20 5 CEBDMN Cc1cc(N[C@@H](C)c2nnc[nH]2)c(F)cc1[N+](=O)[O-] ZINC000292747748 198397995 /nfs/dbraw/zinc/39/79/95/198397995.db2.gz VLWLKVTZVLKUBE-ZETCQYMHSA-N 0 1 265.248 2.334 20 5 CEBDMN COc1cc([N+](=O)[O-])ccc1CN[C@@H]1COCC1(C)C ZINC000451812747 283113463 /nfs/dbraw/zinc/11/34/63/283113463.db2.gz PLPDZNVQINVLDR-CYBMUJFWSA-N 0 1 280.324 2.118 20 5 CEBDMN O=[N+]([O-])c1ccc([O-])cc1C[N@H+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC000339168069 366687642 /nfs/dbraw/zinc/68/76/42/366687642.db2.gz KCAYCTFSHNGIGY-CABCVRRESA-N 0 1 292.335 2.444 20 5 CEBDMN COCCOCCNCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000084439943 363810951 /nfs/dbraw/zinc/81/09/51/363810951.db2.gz KJWABYJAFSFHGT-UHFFFAOYSA-N 0 1 288.731 2.001 20 5 CEBDMN Cc1c(C[N@@H+]2CC[C@@H](C(=O)[O-])[C@@H]2C)cccc1[N+](=O)[O-] ZINC000092924742 364118103 /nfs/dbraw/zinc/11/81/03/364118103.db2.gz AAJOFNXWAKZYNV-CMPLNLGQSA-N 0 1 278.308 2.198 20 5 CEBDMN O=C([O-])CC1CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC000093682455 364214868 /nfs/dbraw/zinc/21/48/68/364214868.db2.gz ZGEZZZURZQLYJY-UHFFFAOYSA-N 0 1 284.337 2.343 20 5 CEBDMN COCCOC1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000116885346 365078014 /nfs/dbraw/zinc/07/80/14/365078014.db2.gz WIZIKYLDKKWKOC-UHFFFAOYSA-N 0 1 294.351 2.222 20 5 CEBDMN C[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])C1CCCCC1 ZINC000119186582 365232203 /nfs/dbraw/zinc/23/22/03/365232203.db2.gz CZXAQNRSPJJZKG-MRVPVSSYSA-N 0 1 266.301 2.017 20 5 CEBDMN CCCc1[nH]nc(C(=O)N2CC[C@H](CC)C2)c1[N+](=O)[O-] ZINC000120879469 365489173 /nfs/dbraw/zinc/48/91/73/365489173.db2.gz IMYLQUSARRRERA-VIFPVBQESA-N 0 1 280.328 2.143 20 5 CEBDMN O=[N+]([O-])c1cc(F)c(CN2CCc3cn[nH]c3C2)c(F)c1 ZINC000586767947 367188299 /nfs/dbraw/zinc/18/82/99/367188299.db2.gz IXSXEMLJUXTLQO-UHFFFAOYSA-N 0 1 294.261 2.154 20 5 CEBDMN Cc1nc2ccc(Cn3cc([N+](=O)[O-])cc(C)c3=O)cc2[nH]1 ZINC000342650883 367469295 /nfs/dbraw/zinc/46/92/95/367469295.db2.gz IBENGTULSMIAKT-UHFFFAOYSA-N 0 1 298.302 2.298 20 5 CEBDMN C[C@@H]1[C@H](C(F)(F)F)CCN1CCn1ccc([N+](=O)[O-])n1 ZINC000348275574 368980186 /nfs/dbraw/zinc/98/01/86/368980186.db2.gz JQSMPQZJVMFSDR-RKDXNWHRSA-N 0 1 292.261 2.064 20 5 CEBDMN CCN(C)C(=O)[C@H](C)NC/C=C/c1ccccc1[N+](=O)[O-] ZINC000188888786 369424942 /nfs/dbraw/zinc/42/49/42/369424942.db2.gz GOIGPHABQZZHAT-CRALRDPISA-N 0 1 291.351 2.064 20 5 CEBDMN C[C@@H](O)C1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000225777466 370318303 /nfs/dbraw/zinc/31/83/03/370318303.db2.gz JDBPQRUBPAJNGF-LLVKDONJSA-N 0 1 264.325 2.188 20 5 CEBDMN C[C@@H](CNC(=O)c1cc(O)cc([N+](=O)[O-])c1)C(F)(F)F ZINC000358924592 371268552 /nfs/dbraw/zinc/26/85/52/371268552.db2.gz COPUAZQQVFBUKD-LURJTMIESA-N 0 1 292.213 2.229 20 5 CEBDMN C[C@]1(O)CCN(C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000255290399 371570741 /nfs/dbraw/zinc/57/07/41/371570741.db2.gz ORMWGPSTEBJTDP-SDQPKGBYSA-N 0 1 262.309 2.065 20 5 CEBDMN NC1(c2noc(/C=C/c3cccc([N+](=O)[O-])c3)n2)CCC1 ZINC000261854168 371751359 /nfs/dbraw/zinc/75/13/59/371751359.db2.gz TVYGXUPCFBSOGN-AATRIKPKSA-N 0 1 286.291 2.486 20 5 CEBDMN Cc1cccc(-c2nc(C3(N)CCC3)no2)c1[N+](=O)[O-] ZINC000261906238 371766792 /nfs/dbraw/zinc/76/67/92/371766792.db2.gz ZCZXILBUSKWOIK-UHFFFAOYSA-N 0 1 274.280 2.291 20 5 CEBDMN Cc1ccc2c(c1)CCN(CCn1ccc([N+](=O)[O-])n1)C2 ZINC000361838673 372092054 /nfs/dbraw/zinc/09/20/54/372092054.db2.gz CYJAIHKSEXRVMR-UHFFFAOYSA-N 0 1 286.335 2.158 20 5 CEBDMN O=C(NC(C1CC1)C1CC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000269108469 372344204 /nfs/dbraw/zinc/34/42/04/372344204.db2.gz CJVSVRPQEHVWLW-UHFFFAOYSA-N 0 1 276.292 2.219 20 5 CEBDMN Cc1ccc2nc(CNC(=O)c3cc([N+](=O)[O-])c[nH]3)[nH]c2c1 ZINC000362569345 372433409 /nfs/dbraw/zinc/43/34/09/372433409.db2.gz XPJNLESYXPHADL-UHFFFAOYSA-N 0 1 299.290 2.038 20 5 CEBDMN C[C@@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC[C@@H]1c1ccccc1 ZINC000364837238 372796595 /nfs/dbraw/zinc/79/65/95/372796595.db2.gz JKBSCNLAILAWMG-BEAPCOKYSA-N 0 1 288.347 2.304 20 5 CEBDMN C[C@]1(c2ccccc2)CCCN(C(=O)[C@H]2CC2[N+](=O)[O-])C1 ZINC000365284821 372819525 /nfs/dbraw/zinc/81/95/25/372819525.db2.gz XILGPFWZZMGAGK-LZWOXQAQSA-N 0 1 288.347 2.232 20 5 CEBDMN C[C@@H]1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])[C@@H]1c1cccc(F)c1 ZINC000365774756 372930562 /nfs/dbraw/zinc/93/05/62/372930562.db2.gz YFCCGCFRMQCWMI-QQUHWDOBSA-N 0 1 292.310 2.400 20 5 CEBDMN CC(C)c1ccc(CNC[C@H](O)C(F)F)cc1[N+](=O)[O-] ZINC000344759667 217301787 /nfs/dbraw/zinc/30/17/87/217301787.db2.gz MDHZJCCHIXDFHZ-LBPRGKRZSA-N 0 1 288.294 2.434 20 5 CEBDMN O=[N+]([O-])c1ccc(CN2CC([C@H]3CCOC3)C2)cc1 ZINC000366252115 373015689 /nfs/dbraw/zinc/01/56/89/373015689.db2.gz REXHEWUAQHUCGY-LBPRGKRZSA-N 0 1 262.309 2.063 20 5 CEBDMN O=C(N[C@H]1C[C@H](c2ccc(Cl)cc2)C1)[C@H]1CC1[N+](=O)[O-] ZINC000366522190 373079984 /nfs/dbraw/zinc/07/99/84/373079984.db2.gz NLANVRGNKHYLKW-XYJRDEOASA-N 0 1 294.738 2.367 20 5 CEBDMN COC(C)(C)C[C@@H](C)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272511236 373526024 /nfs/dbraw/zinc/52/60/24/373526024.db2.gz JZPLLZHTYASBBI-SECBINFHSA-N 0 1 296.323 2.234 20 5 CEBDMN CCC1(CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1 ZINC000272659116 373604350 /nfs/dbraw/zinc/60/43/50/373604350.db2.gz HAQNTYSKZHTMID-UHFFFAOYSA-N 0 1 264.281 2.220 20 5 CEBDMN COC[C@H]1CCN(Cc2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC000274298119 373870701 /nfs/dbraw/zinc/87/07/01/373870701.db2.gz IUNOITNHSGJLAQ-JTQLQIEISA-N 0 1 298.314 2.211 20 5 CEBDMN CCC1(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)CCC1 ZINC000274720339 374025082 /nfs/dbraw/zinc/02/50/82/374025082.db2.gz UMDHXQKPOWJOCU-UHFFFAOYSA-N 0 1 264.281 2.363 20 5 CEBDMN Cn1cnc([N+](=O)[O-])c1CN1CCC[C@H]2CCCC[C@@H]21 ZINC000408001488 375392285 /nfs/dbraw/zinc/39/22/85/375392285.db2.gz ANDHYRMVTHUKAJ-NEPJUHHUSA-N 0 1 278.356 2.483 20 5 CEBDMN COc1cc(CN2CCC[C@H](C)[C@H]2CO)ccc1[N+](=O)[O-] ZINC000305803692 376496809 /nfs/dbraw/zinc/49/68/09/376496809.db2.gz FQEBHCSHSJHOQH-SMDDNHRTSA-N 0 1 294.351 2.196 20 5 CEBDMN C[N@@H+](CCCC(=O)[O-])Cc1ccc([N+](=O)[O-])cc1F ZINC000311470525 376670903 /nfs/dbraw/zinc/67/09/03/376670903.db2.gz YDAKNGKHBNRYIS-UHFFFAOYSA-N 0 1 270.260 2.031 20 5 CEBDMN CCc1[nH]nc(C(=O)N2CCC[C@@H](C3CC3)C2)c1[N+](=O)[O-] ZINC000290875009 376962542 /nfs/dbraw/zinc/96/25/42/376962542.db2.gz KMUCHADMOBNTNY-SNVBAGLBSA-N 0 1 292.339 2.143 20 5 CEBDMN C[C@]1(CCCO)CCC[N@H+]1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000330460447 377143881 /nfs/dbraw/zinc/14/38/81/377143881.db2.gz VPKVEFVSCSRKQL-OAHLLOKOSA-N 0 1 294.351 2.427 20 5 CEBDMN C[C@H]1CN(Cc2cc(O)ccc2[N+](=O)[O-])CC(C)(C)O1 ZINC000330609227 377197922 /nfs/dbraw/zinc/19/79/22/377197922.db2.gz NOQMVINCVKDKKF-JTQLQIEISA-N 0 1 280.324 2.300 20 5 CEBDMN COc1ccc(CN2[C@H](C)C[C@@H](O)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000331160685 377309529 /nfs/dbraw/zinc/30/95/29/377309529.db2.gz FFBQAFCZCADNKP-PTEHBNRSSA-N 0 1 294.351 2.337 20 5 CEBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CC[C@@H](C(=O)[O-])C1 ZINC000564336626 377379034 /nfs/dbraw/zinc/37/90/34/377379034.db2.gz CGMFXHPFYUBBIU-GHMZBOCLSA-N 0 1 278.308 2.371 20 5 CEBDMN C[C@@H](N[C@H]1CCN(C2CC2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000331438187 377428889 /nfs/dbraw/zinc/42/88/89/377428889.db2.gz DCIYLBUUPLXYBC-YGRLFVJLSA-N 0 1 289.335 2.009 20 5 CEBDMN Cc1[nH]nc(C(=O)N2CC[C@@H](C3CCCC3)C2)c1[N+](=O)[O-] ZINC000331485274 377445936 /nfs/dbraw/zinc/44/59/36/377445936.db2.gz BFPIGEODHQWBMB-LLVKDONJSA-N 0 1 292.339 2.279 20 5 CEBDMN C[C@H](N(C)Cc1ccc([N+](=O)[O-])cc1F)C(C)(C)O ZINC000295233761 378063267 /nfs/dbraw/zinc/06/32/67/378063267.db2.gz XGBPLHUFIOMUTC-VIFPVBQESA-N 0 1 270.304 2.325 20 5 CEBDMN O=[N+]([O-])c1ccc(N[C@H]2CCCc3cn[nH]c32)cn1 ZINC000450390242 378389845 /nfs/dbraw/zinc/38/98/45/378389845.db2.gz LLRNCBJBTSELST-JTQLQIEISA-N 0 1 259.269 2.202 20 5 CEBDMN CCC[C@@H](O)CN(C)Cc1ccccc1[N+](=O)[O-] ZINC000296651650 378607131 /nfs/dbraw/zinc/60/71/31/378607131.db2.gz XNFPCCQQSGMHJT-GFCCVEGCSA-N 0 1 252.314 2.188 20 5 CEBDMN Cc1ncc(CN[C@@H](C)c2cccc([N+](=O)[O-])c2)c(=O)[nH]1 ZINC000346801280 218019632 /nfs/dbraw/zinc/01/96/32/218019632.db2.gz SBAGUYPIAKECRR-VIFPVBQESA-N 0 1 288.307 2.250 20 5 CEBDMN CC[C@@H](N[C@@H](CC)c1cccc([N+](=O)[O-])c1)C(=O)NC ZINC000453424541 378899032 /nfs/dbraw/zinc/89/90/32/378899032.db2.gz YGNRFIVFFQVGKS-QWHCGFSZSA-N 0 1 279.340 2.160 20 5 CEBDMN CCO[C@@H]1COC[C@H]1N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000453358633 378872913 /nfs/dbraw/zinc/87/29/13/378872913.db2.gz ONPZQFAYFGVMKA-UXIGCNINSA-N 0 1 294.351 2.358 20 5 CEBDMN CCc1[nH]nc(C(=O)N(C)C(C)(C)CC)c1[N+](=O)[O-] ZINC000278585142 194057156 /nfs/dbraw/zinc/05/71/56/194057156.db2.gz LUQYXOHWBFOCSH-UHFFFAOYSA-N 0 1 268.317 2.141 20 5 CEBDMN CCCCN(C(=O)c1n[nH]c(C)c1[N+](=O)[O-])C1CC1 ZINC000299511369 379027143 /nfs/dbraw/zinc/02/71/43/379027143.db2.gz GIPHXBUNQSDKSC-UHFFFAOYSA-N 0 1 266.301 2.031 20 5 CEBDMN CCc1[nH]nc(C(=O)N2CC[C@H](C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000278696195 194108250 /nfs/dbraw/zinc/10/82/50/194108250.db2.gz VREUQIGKEUQYRZ-IUCAKERBSA-N 0 1 280.328 2.141 20 5 CEBDMN C[C@H](c1ccccc1[N+](=O)[O-])N1CCC(CO)CC1 ZINC000266520783 190262966 /nfs/dbraw/zinc/26/29/66/190262966.db2.gz ICRVNNLXHYWXQM-LLVKDONJSA-N 0 1 264.325 2.360 20 5 CEBDMN CN(Cc1ccc([N+](=O)[O-])cc1F)C[C@H]1CCOC1 ZINC000267355478 190323531 /nfs/dbraw/zinc/32/35/31/190323531.db2.gz BSHXMXHPRBKQPZ-SNVBAGLBSA-N 0 1 268.288 2.202 20 5 CEBDMN C[C@@H]1CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C[C@@H](C)S1 ZINC000543735781 380342008 /nfs/dbraw/zinc/34/20/08/380342008.db2.gz DGTIIBLVSCRGRV-RKDXNWHRSA-N 0 1 296.348 2.266 20 5 CEBDMN Cn1cc(C(C)(C)NCc2cc(O)ccc2[N+](=O)[O-])cn1 ZINC000549548288 380603626 /nfs/dbraw/zinc/60/36/26/380603626.db2.gz ZYCNAZBLNMMHMQ-UHFFFAOYSA-N 0 1 290.323 2.059 20 5 CEBDMN C[C@@H]1CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])[C@H]1C(=O)[O-] ZINC000300295793 296391734 /nfs/dbraw/zinc/39/17/34/296391734.db2.gz RGXSNJSRUCTUJD-ZWNOBZJWSA-N 0 1 278.308 2.280 20 5 CEBDMN C[C@H]1CC(O)C[C@H](C)N1Cc1ccccc1[N+](=O)[O-] ZINC000191283323 130214837 /nfs/dbraw/zinc/21/48/37/130214837.db2.gz CCOBWTFAOAZSSL-QWRGUYRKSA-N 0 1 264.325 2.329 20 5 CEBDMN O=C(N[C@H]1C=CCCC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356799606 394617725 /nfs/dbraw/zinc/61/77/25/394617725.db2.gz HBDPDLGLAQNSIC-JTQLQIEISA-N 0 1 262.265 2.139 20 5 CEBDMN Cc1cc(C)c([N+](=O)[O-])c(N[C@H]2CCN(C3CC3)C2)n1 ZINC000359087856 394739787 /nfs/dbraw/zinc/73/97/87/394739787.db2.gz YVPZSEHTPIYNFL-NSHDSACASA-N 0 1 276.340 2.255 20 5 CEBDMN O=C(NCCCC1CC1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000119570144 394769078 /nfs/dbraw/zinc/76/90/78/394769078.db2.gz NZRWJKAPGOGPAG-UHFFFAOYSA-N 0 1 288.307 2.391 20 5 CEBDMN C[C@@H]1CCOCCN1Cc1ccc([N+](=O)[O-])cc1 ZINC000362474267 394862573 /nfs/dbraw/zinc/86/25/73/394862573.db2.gz RBETXJNSGIYIDC-LLVKDONJSA-N 0 1 250.298 2.206 20 5 CEBDMN Cc1cc(N2C[C@H](O)C3(CC3)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000364423982 394900924 /nfs/dbraw/zinc/90/09/24/394900924.db2.gz YHQLEACAVDVPQA-HNNXBMFYSA-N 0 1 299.330 2.413 20 5 CEBDMN O=[N+]([O-])c1c(F)cccc1N1CCC[C@H](c2nc[nH]n2)C1 ZINC000370843043 395017206 /nfs/dbraw/zinc/01/72/06/395017206.db2.gz LKNHPKZUYOVMEG-VIFPVBQESA-N 0 1 291.286 2.236 20 5 CEBDMN O=[N+]([O-])c1cccc(F)c1CN1CCN(C2CCC2)CC1 ZINC000355315451 395408783 /nfs/dbraw/zinc/40/87/83/395408783.db2.gz JEYHKZILKYYZIM-UHFFFAOYSA-N 0 1 293.342 2.404 20 5 CEBDMN CO[C@H]1CC[N@@H+](Cc2cc([O-])ccc2[N+](=O)[O-])C[C@H]1C ZINC000449497100 395551340 /nfs/dbraw/zinc/55/13/40/395551340.db2.gz KEARXLUWKPBNHQ-YGRLFVJLSA-N 0 1 280.324 2.157 20 5 CEBDMN Cc1ccc([C@@H]2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)c(C)c1 ZINC000373442030 292217518 /nfs/dbraw/zinc/21/75/18/292217518.db2.gz JDVQRHNJUKYSCF-YUELXQCFSA-N 0 1 288.347 2.285 20 5 CEBDMN C[C@]1(NCc2csc([N+](=O)[O-])c2)CCCOC1 ZINC000221334932 153311926 /nfs/dbraw/zinc/31/19/26/153311926.db2.gz HRTVQOBWKQRAEA-NSHDSACASA-N 0 1 256.327 2.315 20 5 CEBDMN Cc1[nH]ncc1CNc1ncc([N+](=O)[O-])cc1Cl ZINC000227650371 153352465 /nfs/dbraw/zinc/35/24/65/153352465.db2.gz QIVOOPNZIAVNDT-UHFFFAOYSA-N 0 1 267.676 2.287 20 5 CEBDMN Cc1ccc(C[N@H+]2C[C@@H](C)C[C@H](C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000263102890 154018803 /nfs/dbraw/zinc/01/88/03/154018803.db2.gz XDVVAJGQCFIXNW-GWCFXTLKSA-N 0 1 292.335 2.446 20 5 CEBDMN CCOCCN(C)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000352778459 154335799 /nfs/dbraw/zinc/33/57/99/154335799.db2.gz LAJWIBZHOCNOHH-UHFFFAOYSA-N 0 1 268.313 2.072 20 5 CEBDMN Cc1cc([C@@H]2CCN(C(=O)[C@H]3CC3[N+](=O)[O-])C2)cs1 ZINC000375377598 157090810 /nfs/dbraw/zinc/09/08/10/157090810.db2.gz GKYIZYXUFBCRRY-USWWRNFRSA-N 0 1 280.349 2.038 20 5 CEBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1Cc2ccccc2C2(CCC2)C1 ZINC000376029433 157178311 /nfs/dbraw/zinc/17/83/11/157178311.db2.gz NRZPZTRMGFDWSQ-TZMCWYRMSA-N 0 1 286.331 2.116 20 5 CEBDMN CCN1CCCC[C@H]1C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000171453851 162384525 /nfs/dbraw/zinc/38/45/25/162384525.db2.gz RHUMJUGFCSLGFK-AWEZNQCLSA-N 0 1 291.351 2.085 20 5 CEBDMN C[C@@H](CO)[C@H](C)NCc1c(Cl)cccc1[N+](=O)[O-] ZINC000167080697 165036691 /nfs/dbraw/zinc/03/66/91/165036691.db2.gz RBAZAMSJUSLGDM-IUCAKERBSA-N 0 1 272.732 2.355 20 5 CEBDMN C[C@H](CCCC(F)(F)F)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000427979010 260896425 /nfs/dbraw/zinc/89/64/25/260896425.db2.gz NITFYPUYNYAZLC-ZCFIWIBFSA-N 0 1 294.233 2.169 20 5 CEBDMN CCCNC(=O)[C@H](C)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000035019438 270225025 /nfs/dbraw/zinc/22/50/25/270225025.db2.gz MXUQGSNWBOSCPI-MNOVXSKESA-N 0 1 279.340 2.160 20 5 CEBDMN Cc1cccc([N+](=O)[O-])c1N1CC[C@H](c2nc[nH]n2)C1 ZINC000425278683 271152432 /nfs/dbraw/zinc/15/24/32/271152432.db2.gz DXZXAXINKKZGQZ-JTQLQIEISA-N 0 1 273.296 2.015 20 5 CEBDMN CN(c1c(F)cc([N+](=O)[O-])cc1F)[C@H]1CCCN(C)C1 ZINC000301788626 277002587 /nfs/dbraw/zinc/00/25/87/277002587.db2.gz MVJQOJSQERCJJX-VIFPVBQESA-N 0 1 285.294 2.403 20 5 CEBDMN CC[C@H]1CC[C@H](C)N1C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000271830043 288245840 /nfs/dbraw/zinc/24/58/40/288245840.db2.gz RYXRQTDZQLCQGT-CBAPKCEASA-N 0 1 266.301 2.029 20 5 CEBDMN CCc1noc(C)c1NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356712074 280643000 /nfs/dbraw/zinc/64/30/00/280643000.db2.gz CBOATXDFJCUFEK-UHFFFAOYSA-N 0 1 291.263 2.412 20 5 CEBDMN Cc1ccc([N+](=O)[O-])c(N2C[C@@H](C)N(C)[C@H](C)C2)c1 ZINC000338782430 281014235 /nfs/dbraw/zinc/01/42/35/281014235.db2.gz CPJIYOBTLJWRLB-VXGBXAGGSA-N 0 1 263.341 2.432 20 5 CEBDMN CC(C)[C@]1(C)C[C@@H]1NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000458112650 289878007 /nfs/dbraw/zinc/87/80/07/289878007.db2.gz HCKSYYLQJPRHHA-JSGCOSHPSA-N 0 1 278.308 2.465 20 5 CEBDMN Cc1cc(CNCCc2cccc([N+](=O)[O-])c2)no1 ZINC000459447710 290151455 /nfs/dbraw/zinc/15/14/55/290151455.db2.gz GXYMQORSNXEFQM-UHFFFAOYSA-N 0 1 261.281 2.224 20 5 CEBDMN CC(C)(C)c1nc(CNCc2csc([N+](=O)[O-])c2)n[nH]1 ZINC000459707015 290213610 /nfs/dbraw/zinc/21/36/10/290213610.db2.gz NZBCGRUGWPFVET-UHFFFAOYSA-N 0 1 295.368 2.362 20 5 CEBDMN COc1ccc([N+](=O)[O-])cc1C[N@@H+](CC(=O)[O-])C1CCC1 ZINC000570342818 314035240 /nfs/dbraw/zinc/03/52/40/314035240.db2.gz CVWLLFZMRUCRNX-UHFFFAOYSA-N 0 1 294.307 2.043 20 5 CEBDMN Cn1cnc([N+](=O)[O-])c1CN(CC1CC1)C1CCC1 ZINC000570378611 314036311 /nfs/dbraw/zinc/03/63/11/314036311.db2.gz MCTFLKRJYSCRNB-UHFFFAOYSA-N 0 1 264.329 2.093 20 5 CEBDMN C[C@H]1C[C@H](Nc2ncc([N+](=O)[O-])cc2F)CN1C1CC1 ZINC000574137693 314189126 /nfs/dbraw/zinc/18/91/26/314189126.db2.gz DLOJKROKOPTUMP-IUCAKERBSA-N 0 1 280.303 2.166 20 5 CEBDMN CSCCN1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000192988803 321799201 /nfs/dbraw/zinc/79/92/01/321799201.db2.gz FZDKAHNNTIGFAP-UHFFFAOYSA-N 0 1 281.381 2.080 20 5 CEBDMN Cc1cc([N+](=O)[O-])ccc1CN1CCSCC1 ZINC000183252219 525562818 /nfs/dbraw/zinc/56/28/18/525562818.db2.gz JNQJZMKHKCNPHA-UHFFFAOYSA-N 0 1 252.339 2.452 20 5 CEBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@H]1c1ccc(F)c(F)c1 ZINC000363403347 526509383 /nfs/dbraw/zinc/50/93/83/526509383.db2.gz AODLABMPBHFQIP-JIMOISOXSA-N 0 1 296.273 2.294 20 5 CEBDMN O=C1C[C@H]2CC[C@@H](C1)N2Cc1ccc([N+](=O)[O-])cc1 ZINC000054603322 527035601 /nfs/dbraw/zinc/03/56/01/527035601.db2.gz LJEZDMCATUTCBL-BETUJISGSA-N 0 1 260.293 2.291 20 5 CEBDMN CCOc1cc(CN2C[C@H](O)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000412026163 528268813 /nfs/dbraw/zinc/26/88/13/528268813.db2.gz IXELBPMEUTYSOM-WCQYABFASA-N 0 1 294.351 2.196 20 5 CEBDMN Cc1nn(C[N@H+]2CCC[C@H]2C2CC2)c(C)c1[N+](=O)[O-] ZINC000728562291 574467369 /nfs/dbraw/zinc/46/73/69/574467369.db2.gz KRWJTGXDQZADQD-LBPRGKRZSA-N 0 1 264.329 2.240 20 5 CEBDMN Cc1nn(CN2CCC[C@H]2C2CC2)c(C)c1[N+](=O)[O-] ZINC000728562291 574467370 /nfs/dbraw/zinc/46/73/70/574467370.db2.gz KRWJTGXDQZADQD-LBPRGKRZSA-N 0 1 264.329 2.240 20 5 CEBDMN O=C(OCc1cccnc1Cl)c1ccc([N+](=O)[O-])[nH]1 ZINC000729196719 574481722 /nfs/dbraw/zinc/48/17/22/574481722.db2.gz WOZIZVDBEQLTTE-UHFFFAOYSA-N 0 1 281.655 2.328 20 5 CEBDMN O=[N+]([O-])c1ccc(NCc2n[nH]c(-c3ccccc3)n2)cn1 ZINC000735487344 574759503 /nfs/dbraw/zinc/75/95/03/574759503.db2.gz UJTOXPNTLYFGGZ-UHFFFAOYSA-N 0 1 296.290 2.387 20 5 CEBDMN O=[N+]([O-])c1ccc(NCc2nc(-c3ccccc3)n[nH]2)cn1 ZINC000735487344 574759505 /nfs/dbraw/zinc/75/95/05/574759505.db2.gz UJTOXPNTLYFGGZ-UHFFFAOYSA-N 0 1 296.290 2.387 20 5 CEBDMN O=C(OCc1ccc(Cl)nc1)c1ccc([N+](=O)[O-])[nH]1 ZINC000735601553 574762793 /nfs/dbraw/zinc/76/27/93/574762793.db2.gz ZZAPBIGXCSXMHQ-UHFFFAOYSA-N 0 1 281.655 2.328 20 5 CEBDMN O=[N+]([O-])c1ccc(N2CCc3cn[nH]c3C2)c(F)c1 ZINC000750567556 575269824 /nfs/dbraw/zinc/26/98/24/575269824.db2.gz RMSIITLRHGHVFK-UHFFFAOYSA-N 0 1 262.244 2.020 20 5 CEBDMN CC(=CC(=O)NCc1cnc[nH]1)c1ccc([N+](=O)[O-])cc1 ZINC000752422643 575309877 /nfs/dbraw/zinc/30/98/77/575309877.db2.gz BYVUJHGOKLNEKJ-UXBLZVDNSA-N 0 1 286.291 2.038 20 5 CEBDMN C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000227818377 601527606 /nfs/dbraw/zinc/52/76/06/601527606.db2.gz FHCZQXSSDRKHKQ-GBIKHYSHSA-N 0 1 278.308 2.308 20 5 CEBDMN C[C@@H]1C[N@@H+](Cc2ccccc2[N+](=O)[O-])CC[C@H]1NC(=O)[O-] ZINC000739187094 602764959 /nfs/dbraw/zinc/76/49/59/602764959.db2.gz HHOJLQYKAMYSFM-ZYHUDNBSSA-N 0 1 293.323 2.073 20 5 CEBDMN C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CCN(C(=O)[O-])CC1 ZINC000828360283 603977597 /nfs/dbraw/zinc/97/75/97/603977597.db2.gz UAXMIEYNGBSWIT-UHFFFAOYSA-N 0 1 293.323 2.169 20 5 CEBDMN CN(C[C@@H]1CCC[N@H+]1Cc1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC000828230547 604108568 /nfs/dbraw/zinc/10/85/68/604108568.db2.gz RLOCYYDIKRKJPT-LBPRGKRZSA-N 0 1 293.323 2.169 20 5 CEBDMN CC(C)(C)NCc1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000090299967 622640076 /nfs/dbraw/zinc/64/00/76/622640076.db2.gz KVBLARAPMSDCIR-UHFFFAOYSA-N 0 1 275.312 2.064 20 5 CEBDMN CC(=O)c1ccc(N(C)C[C@H]2CCCN2C)c([N+](=O)[O-])c1 ZINC000092630595 628238459 /nfs/dbraw/zinc/23/84/59/628238459.db2.gz ADYNWTIGXPLDBH-CYBMUJFWSA-N 0 1 291.351 2.328 20 5 CEBDMN O=[N+]([O-])CCN1CCC[C@@H]1Cc1cccc(F)c1 ZINC000791052532 629239909 /nfs/dbraw/zinc/23/99/09/629239909.db2.gz OXPTTYFZZICWAS-CYBMUJFWSA-N 0 1 252.289 2.109 20 5 CEBDMN O=C(OC[C@H]1CCCc2ccccc21)[C@@H]1CC1[N+](=O)[O-] ZINC000840670527 629290161 /nfs/dbraw/zinc/29/01/61/629290161.db2.gz HPWXDWFTDCNTQL-MRVWCRGKSA-N 0 1 275.304 2.315 20 5 CEBDMN C[C@@H](CCc1ccccc1)OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840673230 629352532 /nfs/dbraw/zinc/35/25/32/629352532.db2.gz UYHRTVIFVLMHMV-CYZMBNFOSA-N 0 1 263.293 2.216 20 5 CEBDMN CO[C@@H]1CC[C@H]1N(C)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000902634941 634755137 /nfs/dbraw/zinc/75/51/37/634755137.db2.gz WPOXIOQMEUXONE-ZIAGYGMSSA-N 0 1 290.323 2.011 20 5 CEBDMN Cc1n[nH]c(C2CN(c3ccc([N+](=O)[O-])cc3Cl)C2)n1 ZINC000895330243 630118601 /nfs/dbraw/zinc/11/86/01/630118601.db2.gz PCRJMKRGUFINGN-UHFFFAOYSA-N 0 1 293.714 2.279 20 5 CEBDMN Cc1nc(C2CN(c3ccc([N+](=O)[O-])cc3Cl)C2)n[nH]1 ZINC000895330243 630118608 /nfs/dbraw/zinc/11/86/08/630118608.db2.gz PCRJMKRGUFINGN-UHFFFAOYSA-N 0 1 293.714 2.279 20 5 CEBDMN Cc1nc(COC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)n[nH]1 ZINC000795233836 630192760 /nfs/dbraw/zinc/19/27/60/630192760.db2.gz QEZOCTJNKSUPGE-UHFFFAOYSA-N 0 1 296.670 2.032 20 5 CEBDMN CC(=O)c1ccc([N+](=O)[O-])cc1N[C@@H]1CCN(C)[C@@H]1C ZINC000895738750 630328517 /nfs/dbraw/zinc/32/85/17/630328517.db2.gz ZIQBEZOMFUAFLT-NOZJJQNGSA-N 0 1 277.324 2.302 20 5 CEBDMN COC(=O)C1CC(NCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000895831270 630370252 /nfs/dbraw/zinc/37/02/52/630370252.db2.gz ZPAHSBJIKIMXTJ-UHFFFAOYSA-N 0 1 298.726 2.289 20 5 CEBDMN CC[C@H](CO)N[C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872017273 631225558 /nfs/dbraw/zinc/22/55/58/631225558.db2.gz YAZVFJRXDNHTAE-RKDXNWHRSA-N 0 1 256.277 2.155 20 5 CEBDMN O=C(OC[C@@H]1CCCCS1)c1ccc([N+](=O)[O-])[nH]1 ZINC000802926165 631484648 /nfs/dbraw/zinc/48/46/48/631484648.db2.gz NQPDAQYXWQSOPW-QMMMGPOBSA-N 0 1 270.310 2.365 20 5 CEBDMN CCN(Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1)C1CC1 ZINC000054453281 631540886 /nfs/dbraw/zinc/54/08/86/631540886.db2.gz KKFKRTCTXSNJNC-UHFFFAOYSA-N 0 1 287.323 2.295 20 5 CEBDMN CS[C@@H]1CCN(Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000840117746 631873128 /nfs/dbraw/zinc/87/31/28/631873128.db2.gz WEOHXCZUBSQTSZ-GFCCVEGCSA-N 0 1 292.364 2.339 20 5 CEBDMN CCN(Cn1ncc2ccc([N+](=O)[O-])cc21)[C@H]1CCOC1 ZINC000812294943 632504539 /nfs/dbraw/zinc/50/45/39/632504539.db2.gz CDMHEGINGAEZNP-ZDUSSCGKSA-N 0 1 290.323 2.013 20 5 CEBDMN O=C(Nc1ccc(F)cc1OCC1CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000840361207 633927264 /nfs/dbraw/zinc/92/72/64/633927264.db2.gz URLMVOZVESSJSL-ZYHUDNBSSA-N 0 1 294.282 2.218 20 5 CEBDMN O=C(Nc1ccc(F)cc1NC1CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000840392672 634234241 /nfs/dbraw/zinc/23/42/41/634234241.db2.gz MZUWKNPWZYDYHG-BXKDBHETSA-N 0 1 279.271 2.004 20 5 CEBDMN C[C@H](NC[C@H]1CCN1C)c1c(F)cccc1[N+](=O)[O-] ZINC000903317005 635063890 /nfs/dbraw/zinc/06/38/90/635063890.db2.gz RXFSFJWNTXBDPU-VHSXEESVSA-N 0 1 267.304 2.089 20 5 CEBDMN C[C@@H](NC[C@@H]1CCN1C)c1c(F)cccc1[N+](=O)[O-] ZINC000903317006 635064102 /nfs/dbraw/zinc/06/41/02/635064102.db2.gz RXFSFJWNTXBDPU-ZJUUUORDSA-N 0 1 267.304 2.089 20 5 CEBDMN CC(C)C[C@@H](C(=O)[O-])[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000903712521 635244668 /nfs/dbraw/zinc/24/46/68/635244668.db2.gz MYCKHIFKHSIMAH-AWEZNQCLSA-N 0 1 292.335 2.452 20 5 CEBDMN COc1ccc(C2CC2)c(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 ZINC000829862831 636945223 /nfs/dbraw/zinc/94/52/23/636945223.db2.gz XUOKTEKMEYJNRU-DGCLKSJQSA-N 0 1 276.292 2.176 20 5 CEBDMN Cc1ccc([N+](=O)[O-])c(C)c1CN(C)[C@@H]1CCOC1 ZINC000876690010 650401622 /nfs/dbraw/zinc/40/16/22/650401622.db2.gz DZLLQEJMSNRBLQ-GFCCVEGCSA-N 0 1 264.325 2.432 20 5 CEBDMN Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+](C)CC[C@@H](C)O ZINC000876746745 650417114 /nfs/dbraw/zinc/41/71/14/650417114.db2.gz VULYTYBJJDWMEG-LLVKDONJSA-N 0 1 266.341 2.414 20 5 CEBDMN CSCC[C@H](C)OC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000835819679 638420565 /nfs/dbraw/zinc/42/05/65/638420565.db2.gz GIEYCPISIKNGMF-ZETCQYMHSA-N 0 1 258.299 2.221 20 5 CEBDMN CC(C)COCCC(=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837431370 639225116 /nfs/dbraw/zinc/22/51/16/639225116.db2.gz KDEYSULUEDFFQT-UHFFFAOYSA-N 0 1 297.307 2.406 20 5 CEBDMN C[C@]1(C(=O)OCc2cc(O)ccc2[N+](=O)[O-])CCCOC1 ZINC000837621330 639312538 /nfs/dbraw/zinc/31/25/38/639312538.db2.gz HLHFOSWXLGUFCQ-AWEZNQCLSA-N 0 1 295.291 2.160 20 5 CEBDMN CCc1nnc(NC(=O)c2cc(F)ccc2[N+](=O)[O-])s1 ZINC000223900501 639437769 /nfs/dbraw/zinc/43/77/69/639437769.db2.gz XNTSYGIWIKZREU-UHFFFAOYSA-N 0 1 296.283 2.400 20 5 CEBDMN COc1ccc(C)cc1[C@@H](C)OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000841188275 639702160 /nfs/dbraw/zinc/70/21/60/639702160.db2.gz JCHXVGCLVBPQMD-YUSALJHKSA-N 0 1 279.292 2.273 20 5 CEBDMN CCO[C@H]1C[C@H](OC(=O)[C@@H]2CC2[N+](=O)[O-])C1(CC)CC ZINC000842316938 640011746 /nfs/dbraw/zinc/01/17/46/640011746.db2.gz BDKDIZYBQHFVEZ-WYUUTHIRSA-N 0 1 285.340 2.179 20 5 CEBDMN CC(C)C[C@@H](N)c1noc(-c2cc([N+](=O)[O-])ccc2N)n1 ZINC000842586149 640110470 /nfs/dbraw/zinc/11/04/70/640110470.db2.gz IYAICEAOFKSTEH-LLVKDONJSA-N 0 1 291.311 2.273 20 5 CEBDMN O=[N+]([O-])c1ncccc1CSc1nc(C2CC2)n[nH]1 ZINC000916538364 640775068 /nfs/dbraw/zinc/77/50/68/640775068.db2.gz CKMRFIRCTOOAMZ-UHFFFAOYSA-N 0 1 277.309 2.278 20 5 CEBDMN O=[N+]([O-])c1ncccc1CSc1n[nH]c(C2CC2)n1 ZINC000916538364 640775070 /nfs/dbraw/zinc/77/50/70/640775070.db2.gz CKMRFIRCTOOAMZ-UHFFFAOYSA-N 0 1 277.309 2.278 20 5 CEBDMN Cc1ncsc1CCOC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000919668616 641063349 /nfs/dbraw/zinc/06/33/49/641063349.db2.gz PBQAEAOPLQBBPW-UHFFFAOYSA-N 0 1 281.293 2.087 20 5 CEBDMN O=[N+]([O-])c1ccc(O)cc1CN1CCC[C@H](F)C1 ZINC000846119409 641192386 /nfs/dbraw/zinc/19/23/86/641192386.db2.gz DWYJNHYKCGECDV-JTQLQIEISA-N 0 1 254.261 2.234 20 5 CEBDMN O=[N+]([O-])c1ccccc1CNC[C@H](O)c1ccco1 ZINC000070142641 641635157 /nfs/dbraw/zinc/63/51/57/641635157.db2.gz GOAKGALSPBIDAI-LBPRGKRZSA-N 0 1 262.265 2.011 20 5 CEBDMN C[C@@H](O)[C@H]1CCCN1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000852560684 643472877 /nfs/dbraw/zinc/47/28/77/643472877.db2.gz BLVQNHNHFUGKBY-BXKDBHETSA-N 0 1 268.288 2.079 20 5 CEBDMN CCO[C@H]1[C@H](C(=O)OCc2cc(O)ccc2[N+](=O)[O-])[C@@H]1C ZINC000923450739 643720990 /nfs/dbraw/zinc/72/09/90/643720990.db2.gz ICHRWWVUCWFKLB-ZEGGKSINSA-N 0 1 295.291 2.015 20 5 CEBDMN O=C(N[C@H]1CCSc2ccc(F)cc21)[C@@H]1CC1[N+](=O)[O-] ZINC000839469870 644237312 /nfs/dbraw/zinc/23/73/12/644237312.db2.gz JHWAENWYHBLWSM-OUAUKWLOSA-N 0 1 296.323 2.144 20 5 CEBDMN Cc1ccc(C)c([C@@H](C)N(C)C(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC000839511008 644245052 /nfs/dbraw/zinc/24/50/52/644245052.db2.gz RKZRZIZJYUXOIK-MRVWCRGKSA-N 0 1 276.336 2.488 20 5 CEBDMN COc1ccccc1[C@H]1CCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839644366 644772247 /nfs/dbraw/zinc/77/22/47/644772247.db2.gz QROYAJMQTZPPTP-JHJVBQTASA-N 0 1 290.319 2.024 20 5 CEBDMN O=C(N[C@H](c1ccccc1)C(F)(F)F)[C@@H]1CC1[N+](=O)[O-] ZINC000839688443 644774336 /nfs/dbraw/zinc/77/43/36/644774336.db2.gz RWUSHROWBUHOMH-OPRDCNLKSA-N 0 1 288.225 2.071 20 5 CEBDMN O=C(NCC1(c2cccc(Cl)c2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC000839687553 644774527 /nfs/dbraw/zinc/77/45/27/644774527.db2.gz CEKDRSIEDUAQPZ-VXGBXAGGSA-N 0 1 294.738 2.153 20 5 CEBDMN CCc1ccc(C(C)(C)CNC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC000839698863 644777046 /nfs/dbraw/zinc/77/70/46/644777046.db2.gz BGALUHKWCYWVMO-ZIAGYGMSSA-N 0 1 290.363 2.308 20 5 CEBDMN CC1(C)CN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC[C@H]1C(F)(F)F ZINC000839732951 644785613 /nfs/dbraw/zinc/78/56/13/644785613.db2.gz GWRSUQQZMKONNF-IWSPIJDZSA-N 0 1 294.273 2.089 20 5 CEBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000839779434 644813987 /nfs/dbraw/zinc/81/39/87/644813987.db2.gz YSTPRMUAIFLNHQ-RAIGVLPGSA-N 0 1 294.738 2.321 20 5 CEBDMN O=C(Nc1ccc2c(c1)CCCC2)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839780506 644814966 /nfs/dbraw/zinc/81/49/66/644814966.db2.gz ARKUJUHUCIRAOA-CHWSQXEVSA-N 0 1 260.293 2.169 20 5 CEBDMN CC(C)(C(=O)NOCC(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000759333894 645012709 /nfs/dbraw/zinc/01/27/09/645012709.db2.gz FXPBGTZWRXDOTE-UHFFFAOYSA-N 0 1 288.250 2.185 20 5 CEBDMN CC(C)c1nnc(COC(=O)c2ccc([N+](=O)[O-])[nH]2)s1 ZINC000861178965 646047827 /nfs/dbraw/zinc/04/78/27/646047827.db2.gz UHCJYFHAPBSOLL-UHFFFAOYSA-N 0 1 296.308 2.255 20 5 CEBDMN C[C@@H]1CN(C)[C@@H](C)CN1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000768525729 646135985 /nfs/dbraw/zinc/13/59/85/646135985.db2.gz KWKCIVKOZZQOAF-VHSXEESVSA-N 0 1 294.311 2.032 20 5 CEBDMN CC1(C)[C@@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000839800516 646157540 /nfs/dbraw/zinc/15/75/40/646157540.db2.gz TZWMMNADMCEXKO-RQJABVFESA-N 0 1 288.347 2.208 20 5 CEBDMN CC[C@H](C)N(OC)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000780653270 647455658 /nfs/dbraw/zinc/45/56/58/647455658.db2.gz YRTSFBLFRMBKOZ-QMMMGPOBSA-N 0 1 268.269 2.103 20 5 CEBDMN Cc1ccc(N2CC(N3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000865936559 647543897 /nfs/dbraw/zinc/54/38/97/647543897.db2.gz DPUIHDQRQVCIOG-UHFFFAOYSA-N 0 1 261.325 2.188 20 5 CEBDMN C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])NCc1ccon1 ZINC000866277571 647712995 /nfs/dbraw/zinc/71/29/95/647712995.db2.gz FJFSVJVLLOIOIG-SECBINFHSA-N 0 1 279.271 2.443 20 5 CEBDMN CNC(=O)[C@@H](NCc1ccc(Cl)c([N+](=O)[O-])c1)C(C)C ZINC000785583652 647938122 /nfs/dbraw/zinc/93/81/22/647938122.db2.gz REVKATHGDUEQJR-LBPRGKRZSA-N 0 1 299.758 2.108 20 5 CEBDMN Cc1ccc(N2C[C@@H](C)N(C)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000785837771 647961918 /nfs/dbraw/zinc/96/19/18/647961918.db2.gz SLYJMJULHGJZQB-VXGBXAGGSA-N 0 1 263.341 2.432 20 5 CEBDMN Cc1ccc(N2C[C@H](C)N(C)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000785837762 647961951 /nfs/dbraw/zinc/96/19/51/647961951.db2.gz SLYJMJULHGJZQB-NWDGAFQWSA-N 0 1 263.341 2.432 20 5 CEBDMN O=[N+]([O-])c1ccn(C2CCN(C/C=C\Cl)CC2)n1 ZINC000785853349 647963213 /nfs/dbraw/zinc/96/32/13/647963213.db2.gz ADQTZYBZMGZODD-KTAJNNJTSA-N 0 1 270.720 2.181 20 5 CEBDMN C[C@](N)(C(=O)NCC1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000867927962 647991763 /nfs/dbraw/zinc/99/17/63/647991763.db2.gz SLLPRZBARZYCPF-OAHLLOKOSA-N 0 1 291.351 2.075 20 5 CEBDMN CCC[C@@H](CC)NC(=O)[C@](C)(N)c1cccc([N+](=O)[O-])c1 ZINC000867943501 647996584 /nfs/dbraw/zinc/99/65/84/647996584.db2.gz XLGARVIFPWTFBI-IUODEOHRSA-N 0 1 293.367 2.464 20 5 CEBDMN C[C@@H]1CCC[C@@H]1NC(=O)[C@](C)(N)c1cccc([N+](=O)[O-])c1 ZINC000867956616 648001388 /nfs/dbraw/zinc/00/13/88/648001388.db2.gz SDDOCIDSSUTYFP-RIEGTJTDSA-N 0 1 291.351 2.074 20 5 CEBDMN Cc1c(CN[C@@H]2CCN(C(C)C)C2=O)cccc1[N+](=O)[O-] ZINC000790542705 648428938 /nfs/dbraw/zinc/42/89/38/648428938.db2.gz LNQLZXOHPCDYEO-CYBMUJFWSA-N 0 1 291.351 2.002 20 5 CEBDMN C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1CC[N+](=O)[O-] ZINC000791052945 648476094 /nfs/dbraw/zinc/47/60/94/648476094.db2.gz PTLYRWMCGBEUGN-ZYHUDNBSSA-N 0 1 252.289 2.280 20 5 CEBDMN O=[N+]([O-])CCN1CC[C@@H](CSc2ccccc2)C1 ZINC000791051600 648476385 /nfs/dbraw/zinc/47/63/85/648476385.db2.gz GJGCFELTKYTTAD-GFCCVEGCSA-N 0 1 266.366 2.377 20 5 CEBDMN CSCCc1ccccc1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000869954821 648663112 /nfs/dbraw/zinc/66/31/12/648663112.db2.gz FSMUVOIGPZWXNQ-ZYHUDNBSSA-N 0 1 280.349 2.196 20 5 CEBDMN CCC[C@@H]1C[C@H]1NC(=O)[C@@](C)(N)c1cccc([N+](=O)[O-])c1 ZINC000870913568 648952810 /nfs/dbraw/zinc/95/28/10/648952810.db2.gz XBAFKISEZWLSLM-YVLXSGLVSA-N 0 1 291.351 2.074 20 5 CEBDMN CC(C)[C@@H](CO)N[C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872043364 649251488 /nfs/dbraw/zinc/25/14/88/649251488.db2.gz XECKAHQKVFSHML-GXSJLCMTSA-N 0 1 270.304 2.401 20 5 CEBDMN CO[C@@]1(CN[C@@H](C)c2c(F)cccc2[N+](=O)[O-])CCOC1 ZINC000872062211 649258652 /nfs/dbraw/zinc/25/86/52/649258652.db2.gz LAKGDYZIEFSDHA-IINYFYTJSA-N 0 1 298.314 2.190 20 5 CEBDMN Cc1noc(CN2CC[C@H]3CSC[C@@H]3C2)c1[N+](=O)[O-] ZINC000879564762 651322383 /nfs/dbraw/zinc/32/23/83/651322383.db2.gz LNUFMVPAOMNXBK-UWVGGRQHSA-N 0 1 283.353 2.076 20 5 CEBDMN CSCc1n[nH]c(CNc2ccc([N+](=O)[O-])c(C)c2)n1 ZINC000884695161 652967991 /nfs/dbraw/zinc/96/79/91/652967991.db2.gz MIWJYHNNSMYTHX-UHFFFAOYSA-N 0 1 293.352 2.496 20 5 CEBDMN CSCc1nnc(CNc2ccc([N+](=O)[O-])c(C)c2)[nH]1 ZINC000884695161 652967993 /nfs/dbraw/zinc/96/79/93/652967993.db2.gz MIWJYHNNSMYTHX-UHFFFAOYSA-N 0 1 293.352 2.496 20 5 CEBDMN C[C@@H]1CN(c2cc([N+](=O)[O-])cc(Cl)n2)[C@H](C)CN1C ZINC001164630045 719152329 /nfs/dbraw/zinc/15/23/29/719152329.db2.gz FULNUZQBLJDRIJ-RKDXNWHRSA-N 0 1 284.747 2.172 20 5 CEBDMN CCO[C@@H]1C[C@@H](N(C)C(=O)[C@@H]2CC2[N+](=O)[O-])C1(CC)CC ZINC001126742266 806486329 /nfs/dbraw/zinc/48/63/29/806486329.db2.gz SILUGAKYPWUBCL-FDYHWXHSSA-N 0 1 298.383 2.094 20 5 CEBDMN Cc1[nH]ncc1CNC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000038011367 806941918 /nfs/dbraw/zinc/94/19/18/806941918.db2.gz YISPZVCOTPEWAA-UHFFFAOYSA-N 0 1 294.698 2.210 20 5 CEBDMN CO[C@H]1CC[C@@H]1N(C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000724123317 803047468 /nfs/dbraw/zinc/04/74/68/803047468.db2.gz WONZJGQFKKNDCO-STQMWFEESA-N 0 1 268.288 2.343 20 5 CEBDMN C[C@@H]1COC[C@H]1NCc1cc([N+](=O)[O-])ccc1Cl ZINC000699841827 807869320 /nfs/dbraw/zinc/86/93/20/807869320.db2.gz AAHWCTQLWHCMRU-PRHODGIISA-N 0 1 270.716 2.373 20 5 CEBDMN CC1(C)CN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])CCN1 ZINC000701067265 809385016 /nfs/dbraw/zinc/38/50/16/809385016.db2.gz CTJXAHBCMWMOFH-UHFFFAOYSA-N 0 1 297.742 2.072 20 5 CEBDMN COC1(OC)CC[C@@H]1N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000710969222 810008753 /nfs/dbraw/zinc/00/87/53/810008753.db2.gz WOATXAFJMQSKOR-MFKMUULPSA-N 0 1 280.324 2.397 20 5 CEBDMN CN1CCC[C@H](Oc2ccc(Cl)nc2[N+](=O)[O-])C1 ZINC001230871883 810563137 /nfs/dbraw/zinc/56/31/37/810563137.db2.gz HFSHQCKFMXGIBS-QMMMGPOBSA-N 0 1 271.704 2.116 20 5 CEBDMN c1ccc2cc3c(cc2c1)ncnc3NC[C@@H]1COCCN1 ZINC001170041673 811989766 /nfs/dbraw/zinc/98/97/66/811989766.db2.gz KEAYDPYSSLAGSK-CQSZACIVSA-N 0 1 294.358 2.183 20 5 CEBDMN c1cnc2c(c1)cc(NC[C@@H]1COCCN1)c1cccnc12 ZINC001170045202 811998683 /nfs/dbraw/zinc/99/86/83/811998683.db2.gz RTBDPXHBCLJAQP-CYBMUJFWSA-N 0 1 294.358 2.183 20 5 CEBDMN COc1ccc(C[C@@H](C)NCc2cocn2)c([N+](=O)[O-])c1 ZINC001170309951 812391383 /nfs/dbraw/zinc/39/13/83/812391383.db2.gz UJNNPRMMMBLZRC-SNVBAGLBSA-N 0 1 291.307 2.312 20 5 CEBDMN CC[C@](N)(CO)Nc1cc(Cl)ccc1/C=C/[N+](=O)[O-] ZINC001170861371 813553300 /nfs/dbraw/zinc/55/33/00/813553300.db2.gz AMOWPFOUJUFHCL-BTDICHCPSA-N 0 1 285.731 2.057 20 5 CEBDMN CN1CC[C@@H]1CNc1nccc2ccc([N+](=O)[O-])cc21 ZINC000712589829 814753906 /nfs/dbraw/zinc/75/39/06/814753906.db2.gz ACCOGHZPQHFFEJ-GFCCVEGCSA-N 0 1 272.308 2.259 20 5 CEBDMN COc1ccc(Nc2ccnc(CO)c2)cc1[N+](=O)[O-] ZINC001176361112 816401177 /nfs/dbraw/zinc/40/11/77/816401177.db2.gz OBPHVWMQCTYMFI-UHFFFAOYSA-N 0 1 275.264 2.234 20 5 CEBDMN CCNC(=O)[C@@H](C)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000036794622 361858147 /nfs/dbraw/zinc/85/81/47/361858147.db2.gz GYCHDOQNXMVWCJ-WDEREUQCSA-N 0 1 279.340 2.078 20 5 CEBDMN CC[C@@H](C)[N@@H+](CC(=O)[O-])Cc1cc([N+](=O)[O-])ccc1OC ZINC000037599282 361909255 /nfs/dbraw/zinc/90/92/55/361909255.db2.gz BMROCUXCRAGDGV-SNVBAGLBSA-N 0 1 296.323 2.289 20 5 CEBDMN CCc1[nH]nc(C(=O)N2C[C@H]3CCCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000176211026 529466752 /nfs/dbraw/zinc/46/67/52/529466752.db2.gz TWDSJJMDSSEBAX-NXEZZACHSA-N 0 1 292.339 2.143 20 5 CEBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCC12CCC2 ZINC000080795756 344025350 /nfs/dbraw/zinc/02/53/50/344025350.db2.gz QWUCCFFNVJVDNN-UHFFFAOYSA-N 0 1 286.291 2.240 20 5 CEBDMN C[C@H]1CCc2c(=O)n(-c3cccc([N+](=O)[O-])c3)[nH]c21 ZINC000601930624 346928882 /nfs/dbraw/zinc/92/88/82/346928882.db2.gz BDSJWQOMTBYMLP-KWQFWETISA-N 0 1 259.265 2.344 20 5 CEBDMN CCOC(=O)CCN[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000045685342 362165638 /nfs/dbraw/zinc/16/56/38/362165638.db2.gz VKBMZIVETSYPQI-JTQLQIEISA-N 0 1 266.297 2.199 20 5 CEBDMN CC/C=C/CNCc1cc(OC)c(O)cc1[N+](=O)[O-] ZINC000449452704 282243520 /nfs/dbraw/zinc/24/35/20/282243520.db2.gz GPDXTMXUNFLDIE-SNAWJCMRSA-N 0 1 266.297 2.365 20 5 CEBDMN Cc1[nH]n(-c2ccc([N+](=O)[O-])cc2)c(=O)c1C1CC1 ZINC000601938511 346933824 /nfs/dbraw/zinc/93/38/24/346933824.db2.gz KYYNHWVLERUOAJ-LBPRGKRZSA-N 0 1 259.265 2.344 20 5 CEBDMN CCc1[nH]n(-c2ccc([N+](=O)[O-])cc2F)c(=O)c1C ZINC000601943634 346935826 /nfs/dbraw/zinc/93/58/26/346935826.db2.gz SCSSGVGQZPWQEV-ZETCQYMHSA-N 0 1 265.244 2.483 20 5 CEBDMN Cc1cc([N+](=O)[O-])ccc1N1N=C2CCC[C@H]2C1=O ZINC000601943729 346935941 /nfs/dbraw/zinc/93/59/41/346935941.db2.gz TZVMIBIALGMYMY-SNVBAGLBSA-N 0 1 259.265 2.406 20 5 CEBDMN Cc1cc([N+](=O)[O-])ccc1-n1[nH]c2c(c1=O)CCC2 ZINC000601943729 346935943 /nfs/dbraw/zinc/93/59/43/346935943.db2.gz TZVMIBIALGMYMY-SNVBAGLBSA-N 0 1 259.265 2.406 20 5 CEBDMN COCCN(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000048024077 362239443 /nfs/dbraw/zinc/23/94/43/362239443.db2.gz HEDGUMSQTSJFGU-UHFFFAOYSA-N 0 1 250.298 2.206 20 5 CEBDMN O=C([O-])C12CCC(CC1)[N@H+]2Cc1ccccc1[N+](=O)[O-] ZINC000601965132 346945221 /nfs/dbraw/zinc/94/52/21/346945221.db2.gz VIRKTMQLFPJDKU-UHFFFAOYSA-N 0 1 276.292 2.176 20 5 CEBDMN C[C@@]1(CO)CCC[C@H]1NCc1c(F)cccc1[N+](=O)[O-] ZINC000351495038 219105691 /nfs/dbraw/zinc/10/56/91/219105691.db2.gz PNGKDQCMDGWOFU-KGLIPLIRSA-N 0 1 282.315 2.375 20 5 CEBDMN O=[N+]([O-])c1ccccc1NCCCCN1CCOCC1 ZINC000076801496 343899220 /nfs/dbraw/zinc/89/92/20/343899220.db2.gz MQOUWCAZCXNEFL-UHFFFAOYSA-N 0 1 279.340 2.119 20 5 CEBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(c2ccc(F)cc2)CC1 ZINC000081681204 344062009 /nfs/dbraw/zinc/06/20/09/344062009.db2.gz KJRGCURFZCFVKR-KGLIPLIRSA-N 0 1 292.310 2.197 20 5 CEBDMN CCOC[C@@H]1CC[N@@H+](Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000093838620 344230661 /nfs/dbraw/zinc/23/06/61/344230661.db2.gz SQBZHZOKAKRGEI-LLVKDONJSA-N 0 1 280.324 2.159 20 5 CEBDMN CC1(C)[C@H](O)C[C@H]1NCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000128448845 344336778 /nfs/dbraw/zinc/33/67/78/344336778.db2.gz VEIDERGUZLOLQW-VXGBXAGGSA-N 0 1 284.743 2.497 20 5 CEBDMN O=[N+]([O-])c1cc(F)cc(-c2nc([C@H]3CCCN3)no2)c1 ZINC000228560638 344560765 /nfs/dbraw/zinc/56/07/65/344560765.db2.gz PSZKLEDSTYKLSV-SNVBAGLBSA-N 0 1 278.243 2.208 20 5 CEBDMN CCOc1ccc([N+](=O)[O-])cc1CNC[C@H]1CCC[N@H+]1C ZINC000236851264 344597658 /nfs/dbraw/zinc/59/76/58/344597658.db2.gz CUZDHPAENTZYEL-CQSZACIVSA-N 0 1 293.367 2.177 20 5 CEBDMN O=[N+]([O-])c1cncc(Cl)c1NCCN1CCCC1 ZINC000310754690 344731380 /nfs/dbraw/zinc/73/13/80/344731380.db2.gz MYFCGLDOARXXIX-UHFFFAOYSA-N 0 1 270.720 2.151 20 5 CEBDMN CCN1CCCC[C@H]1CNc1c(Cl)cncc1[N+](=O)[O-] ZINC000589114301 345066450 /nfs/dbraw/zinc/06/64/50/345066450.db2.gz WBSKPAJPFCVNAY-JTQLQIEISA-N 0 1 298.774 2.351 20 5 CEBDMN CC[C@@H]1CN(CC)CCN1c1ncc(C)cc1[N+](=O)[O-] ZINC000590723754 345168411 /nfs/dbraw/zinc/16/84/11/345168411.db2.gz DBKXUYWWGBTBQJ-GFCCVEGCSA-N 0 1 278.356 2.219 20 5 CEBDMN CCc1[nH]nc(C(=O)N2CC[C@@H](C3CCC3)C2)c1[N+](=O)[O-] ZINC000591125510 345222608 /nfs/dbraw/zinc/22/26/08/345222608.db2.gz AGCXCLWFRFBJID-SNVBAGLBSA-N 0 1 292.339 2.143 20 5 CEBDMN Cc1noc(CN2CC[C@@H](C3CCOCC3)C2)c1[N+](=O)[O-] ZINC000595388717 345772147 /nfs/dbraw/zinc/77/21/47/345772147.db2.gz LLTILVXMOQZHTN-GFCCVEGCSA-N 0 1 295.339 2.140 20 5 CEBDMN C[C@@H](O)[C@@H]1CCCN(Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595390890 345772905 /nfs/dbraw/zinc/77/29/05/345772905.db2.gz ZPUXABXGNDAFKB-GHMZBOCLSA-N 0 1 282.315 2.327 20 5 CEBDMN COCC[C@@]1(NCc2ccc(F)cc2[N+](=O)[O-])CCOC1 ZINC000595460981 345789285 /nfs/dbraw/zinc/78/92/85/345789285.db2.gz JEPFKMCGNVRJOX-CQSZACIVSA-N 0 1 298.314 2.019 20 5 CEBDMN CC[C@H]1[C@@H](CO)CCN1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595529807 345804201 /nfs/dbraw/zinc/80/42/01/345804201.db2.gz QZHSUNSDKFFTAH-YPMHNXCESA-N 0 1 282.315 2.327 20 5 CEBDMN C[C@H](CO)[C@@H]1CCCC[N@H+]1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000595674589 345845622 /nfs/dbraw/zinc/84/56/22/345845622.db2.gz LUKAVKWFWKPAAY-RISCZKNCSA-N 0 1 294.351 2.283 20 5 CEBDMN O=[N+]([O-])c1cnn(CCN2CCC(c3ccco3)CC2)c1 ZINC000595615970 345828298 /nfs/dbraw/zinc/82/82/98/345828298.db2.gz OUCFGVZEFNMMII-UHFFFAOYSA-N 0 1 290.323 2.264 20 5 CEBDMN C[C@@H]1CN(Cc2ccc(F)cc2[N+](=O)[O-])C[C@]1(C)CO ZINC000595861405 345900465 /nfs/dbraw/zinc/90/04/65/345900465.db2.gz VLMAQBSCARUCLN-QMTHXVAHSA-N 0 1 282.315 2.184 20 5 CEBDMN COCCN1CC[C@@H](Nc2cc(C)sc2[N+](=O)[O-])C1 ZINC000596121079 345944574 /nfs/dbraw/zinc/94/45/74/345944574.db2.gz JXRAGGCBYIEQGG-SNVBAGLBSA-N 0 1 285.369 2.097 20 5 CEBDMN O=[N+]([O-])c1cnc(NC[C@@H]2CCC[N@@H+](CC3CC3)C2)s1 ZINC000596569674 346057485 /nfs/dbraw/zinc/05/74/85/346057485.db2.gz BLDFRVNOJRJOEL-NSHDSACASA-N 0 1 296.396 2.007 20 5 CEBDMN Cc1ccc(CN(C)Cc2cnc[nH]2)cc1[N+](=O)[O-] ZINC000597171614 346140459 /nfs/dbraw/zinc/14/04/59/346140459.db2.gz XHCPBRZYYXOLOZ-UHFFFAOYSA-N 0 1 260.297 2.258 20 5 CEBDMN CCCN(C)CC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000597669995 346213893 /nfs/dbraw/zinc/21/38/93/346213893.db2.gz ZZRSOVHLNZXDFZ-UHFFFAOYSA-N 0 1 279.340 2.492 20 5 CEBDMN CCc1[nH]nc(C(=O)N2[C@H](C)CCC2(C)C)c1[N+](=O)[O-] ZINC000597753147 346225716 /nfs/dbraw/zinc/22/57/16/346225716.db2.gz NNKNANOBQSNPFE-MRVPVSSYSA-N 0 1 280.328 2.283 20 5 CEBDMN CCc1[nH]nc(C(=O)N2[C@@H](C)CCC2(C)C)c1[N+](=O)[O-] ZINC000597753148 346225862 /nfs/dbraw/zinc/22/58/62/346225862.db2.gz NNKNANOBQSNPFE-QMMMGPOBSA-N 0 1 280.328 2.283 20 5 CEBDMN CC(C)(C)OCCCNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000598190922 346302343 /nfs/dbraw/zinc/30/23/43/346302343.db2.gz OTXJRQZDKNAVJH-UHFFFAOYSA-N 0 1 296.323 2.235 20 5 CEBDMN CC[C@@H]1CC[C@@H](C)N(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])C1 ZINC000598300031 346321967 /nfs/dbraw/zinc/32/19/67/346321967.db2.gz YASOGCHHSVKNTD-PSASIEDQSA-N 0 1 280.328 2.277 20 5 CEBDMN C[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000062876883 362728369 /nfs/dbraw/zinc/72/83/69/362728369.db2.gz JHLNKGVZOJBJBZ-CQSZACIVSA-N 0 1 278.308 2.282 20 5 CEBDMN CCC(C)(C)N1CCN(c2ncc(F)cc2[N+](=O)[O-])CC1 ZINC000601186828 346780406 /nfs/dbraw/zinc/78/04/06/346780406.db2.gz BTXALJRDVWEMHE-UHFFFAOYSA-N 0 1 296.346 2.440 20 5 CEBDMN Cc1cc(N[C@H]2C[C@@H](CO)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000601212290 346790655 /nfs/dbraw/zinc/79/06/55/346790655.db2.gz XXGOLRYQVVRTFO-PHIMTYICSA-N 0 1 287.319 2.056 20 5 CEBDMN CCO[C@H]1C[C@H](NCc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000602706682 347161131 /nfs/dbraw/zinc/16/11/31/347161131.db2.gz HGGNLZYEZGRGDL-HOMQSWHASA-N 0 1 291.307 2.393 20 5 CEBDMN Cc1ncc([N+](=O)[O-])n1CCN(C)[C@H](C)c1ccncc1 ZINC000602796257 347201912 /nfs/dbraw/zinc/20/19/12/347201912.db2.gz DYKHPKBOIVOUNQ-LLVKDONJSA-N 0 1 289.339 2.188 20 5 CEBDMN CCCCOCCN[C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000602965596 347258526 /nfs/dbraw/zinc/25/85/26/347258526.db2.gz JIBCMXCXKYDXOC-OAHLLOKOSA-N 0 1 296.367 2.209 20 5 CEBDMN Cc1noc(CN2CC[C@H](O)[C@@H]3CCCC[C@H]32)c1[N+](=O)[O-] ZINC000602998013 347270583 /nfs/dbraw/zinc/27/05/83/347270583.db2.gz VTMFSBPFRGPMGP-UTUOFQBUSA-N 0 1 295.339 2.017 20 5 CEBDMN O=[N+]([O-])c1cnccc1N1CCN(C2CCCC2)CC1 ZINC000604560521 347423177 /nfs/dbraw/zinc/42/31/77/347423177.db2.gz LPMWMROOZSTBBY-UHFFFAOYSA-N 0 1 276.340 2.054 20 5 CEBDMN Cc1cc(CNC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)n[nH]1 ZINC000609600866 347645740 /nfs/dbraw/zinc/64/57/40/347645740.db2.gz ZKBOYZIBJQPNPA-UHFFFAOYSA-N 0 1 289.295 2.256 20 5 CEBDMN CCNC(=O)[C@H](NCc1cccc([N+](=O)[O-])c1C)C(C)C ZINC000339326924 215098040 /nfs/dbraw/zinc/09/80/40/215098040.db2.gz AMOPDYNFBBDUKN-CQSZACIVSA-N 0 1 293.367 2.154 20 5 CEBDMN C[C@@H](NCCn1ccccc1=O)c1ccccc1[N+](=O)[O-] ZINC000610342438 347673661 /nfs/dbraw/zinc/67/36/61/347673661.db2.gz SSFXSAUWNZXSNQ-GFCCVEGCSA-N 0 1 287.319 2.107 20 5 CEBDMN C[C@@H]1[C@H](C)N(C)CCN1c1ncc(Cl)cc1[N+](=O)[O-] ZINC000611298929 347764940 /nfs/dbraw/zinc/76/49/40/347764940.db2.gz CAZDFYBRJCPPLG-DTWKUNHWSA-N 0 1 284.747 2.172 20 5 CEBDMN CCN1CCN(Cc2cc([N+](=O)[O-])ccc2OC)C[C@@H]1C ZINC000611091786 347738903 /nfs/dbraw/zinc/73/89/03/347738903.db2.gz NVOZMGJCQFFELQ-LBPRGKRZSA-N 0 1 293.367 2.129 20 5 CEBDMN C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@](C)(C(=O)[O-])C1 ZINC000086779968 179330135 /nfs/dbraw/zinc/33/01/35/179330135.db2.gz RPOPQXKQYVEBPN-IINYFYTJSA-N 0 1 278.308 2.452 20 5 CEBDMN C[C@@H](C(=O)[O-])[N@@H+](CCc1ccc([N+](=O)[O-])cc1)C1CCC1 ZINC000568770224 299152747 /nfs/dbraw/zinc/15/27/47/299152747.db2.gz XSKMEZSKFRCLKR-NSHDSACASA-N 0 1 292.335 2.465 20 5 CEBDMN C[C@H]1CN(Cc2csc([N+](=O)[O-])c2)[C@@H](C)CN1C ZINC000351957275 219264918 /nfs/dbraw/zinc/26/49/18/219264918.db2.gz FUKCTNKKXWVVMZ-UWVGGRQHSA-N 0 1 269.370 2.181 20 5 CEBDMN O=[N+]([O-])c1ccc(N2CCCC[C@H]2c2nnc[nH]2)cc1 ZINC000295008143 539658523 /nfs/dbraw/zinc/65/85/23/539658523.db2.gz SFPHVVPHWXUCGB-LBPRGKRZSA-N 0 1 273.296 2.445 20 5 CEBDMN CC(C)(C)[C@H](CO)NCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000618309263 348924035 /nfs/dbraw/zinc/92/40/35/348924035.db2.gz XQHPDNPQNXWYAX-LBPRGKRZSA-N 0 1 293.323 2.233 20 5 CEBDMN COC[C@H](NCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(C)C ZINC000090359871 179976948 /nfs/dbraw/zinc/97/69/48/179976948.db2.gz MZNURCJUXNWSCX-LBPRGKRZSA-N 0 1 297.311 2.264 20 5 CEBDMN Cc1ccc(CN(C)CCNC(=O)C(C)C)cc1[N+](=O)[O-] ZINC000092103941 180326040 /nfs/dbraw/zinc/32/60/40/180326040.db2.gz SVXCXISHHRXQAJ-UHFFFAOYSA-N 0 1 293.367 2.107 20 5 CEBDMN Cn1cnc([N+](=O)[O-])c1CN1CCC(C)(C2CC2)CC1 ZINC000352188856 219350429 /nfs/dbraw/zinc/35/04/29/219350429.db2.gz JUHDRXMOXFIFFZ-UHFFFAOYSA-N 0 1 278.356 2.340 20 5 CEBDMN C[C@@H]1CN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@H](C)N1 ZINC000070076488 363028948 /nfs/dbraw/zinc/02/89/48/363028948.db2.gz MRLXEDMPQVCRAJ-DTORHVGOSA-N 0 1 297.742 2.071 20 5 CEBDMN CCN(Cc1cc([N+](=O)[O-])ccc1OC)C[C@@H](C)OC ZINC000291367969 198001604 /nfs/dbraw/zinc/00/16/04/198001604.db2.gz ZPCRGLVDNCDSSV-LLVKDONJSA-N 0 1 282.340 2.460 20 5 CEBDMN Cc1cnc(OCc2nnc(C(C)(C)C)[nH]2)c([N+](=O)[O-])c1 ZINC000292453610 198294925 /nfs/dbraw/zinc/29/49/25/198294925.db2.gz OCNYXKZNGJFMSW-UHFFFAOYSA-N 0 1 291.311 2.293 20 5 CEBDMN Cc1cnc(OCc2n[nH]c(C(C)(C)C)n2)c([N+](=O)[O-])c1 ZINC000292453610 198294927 /nfs/dbraw/zinc/29/49/27/198294927.db2.gz OCNYXKZNGJFMSW-UHFFFAOYSA-N 0 1 291.311 2.293 20 5 CEBDMN Cc1c(CNCc2ccc(C)c([N+](=O)[O-])c2)cnn1C ZINC000156616144 188272899 /nfs/dbraw/zinc/27/28/99/188272899.db2.gz JAOKZHMIIVUFLA-UHFFFAOYSA-N 0 1 274.324 2.235 20 5 CEBDMN C[C@H](C1CC1)N(C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000073779123 363247995 /nfs/dbraw/zinc/24/79/95/363247995.db2.gz NRQSOODVJGSPFE-SNVBAGLBSA-N 0 1 277.324 2.264 20 5 CEBDMN C[C@@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)C(C)(F)F ZINC000452461901 283294677 /nfs/dbraw/zinc/29/46/77/283294677.db2.gz VVZABQRTTRTDQK-ZCFIWIBFSA-N 0 1 274.223 2.074 20 5 CEBDMN O=[N+]([O-])c1ccccc1CN1CCS[C@H]2COCC[C@@H]21 ZINC000135544128 366453193 /nfs/dbraw/zinc/45/31/93/366453193.db2.gz AWWKIFBNYAVXSZ-KBPBESRZSA-N 0 1 294.376 2.301 20 5 CEBDMN C[C@H](O)CCN(C)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000135535150 366453325 /nfs/dbraw/zinc/45/33/25/366453325.db2.gz CRGCYSDNHCWRTO-VIFPVBQESA-N 0 1 272.732 2.451 20 5 CEBDMN C[N@@H+](Cc1cc([O-])ccc1[N+](=O)[O-])[C@H]1CCCC[C@H]1O ZINC000339100012 366653769 /nfs/dbraw/zinc/65/37/69/366653769.db2.gz SZDKDROVSDYLPU-UONOGXRCSA-N 0 1 280.324 2.036 20 5 CEBDMN CC(C)[C@H]1CN(Cc2cc([O-])ccc2[N+](=O)[O-])CC[N@H+]1C ZINC000339137605 366672405 /nfs/dbraw/zinc/67/24/05/366672405.db2.gz RNEBRHRQFJYNNO-OAHLLOKOSA-N 0 1 293.367 2.072 20 5 CEBDMN Cc1c([C@@H](C)NCc2cnn(C)c2)cccc1[N+](=O)[O-] ZINC000178513021 189122643 /nfs/dbraw/zinc/12/26/43/189122643.db2.gz BUUALRVUWXACQV-LLVKDONJSA-N 0 1 274.324 2.488 20 5 CEBDMN CC(C)N1CC[C@@H](N[C@@H](C)c2ccc([N+](=O)[O-])cc2)C1=O ZINC000178656529 189135376 /nfs/dbraw/zinc/13/53/76/189135376.db2.gz ZGMLIVUYNPDDRV-SMDDNHRTSA-N 0 1 291.351 2.255 20 5 CEBDMN CCc1[nH]nc(C(=O)N2CC[C@H](C)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000178895660 189153320 /nfs/dbraw/zinc/15/33/20/189153320.db2.gz MJYKUOHNKFAKEX-VHSXEESVSA-N 0 1 294.355 2.389 20 5 CEBDMN CC[C@@H](CNC(=O)c1n[nH]cc1[N+](=O)[O-])c1ccccc1 ZINC000179256541 189181238 /nfs/dbraw/zinc/18/12/38/189181238.db2.gz SZFNJZQUTXVNAX-JTQLQIEISA-N 0 1 288.307 2.242 20 5 CEBDMN O=[N+]([O-])c1ccc([O-])cc1C[N@H+]1CC[C@]2(C1)CCCOC2 ZINC000339170975 366688894 /nfs/dbraw/zinc/68/88/94/366688894.db2.gz JTOZUIYKGKZFGX-HNNXBMFYSA-N 0 1 292.335 2.303 20 5 CEBDMN CNC(=O)C1CCN([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000025449183 361626851 /nfs/dbraw/zinc/62/68/51/361626851.db2.gz PJBHXLDGWLYBAE-NSHDSACASA-N 0 1 291.351 2.114 20 5 CEBDMN COC(=O)[C@H]1CCCN(Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000092643746 364093350 /nfs/dbraw/zinc/09/33/50/364093350.db2.gz DZRMCGAMDISVRM-ZDUSSCGKSA-N 0 1 292.335 2.288 20 5 CEBDMN CC[C@H]1CCCN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356509321 370735980 /nfs/dbraw/zinc/73/59/80/370735980.db2.gz GTNMRSQLXCFTRM-JTQLQIEISA-N 0 1 264.281 2.315 20 5 CEBDMN COCCOC1CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC000116886494 365077889 /nfs/dbraw/zinc/07/78/89/365077889.db2.gz LNXBPVASHPOTQH-UHFFFAOYSA-N 0 1 294.351 2.222 20 5 CEBDMN Cc1c(CN2CC[C@@H](O)C(C)(C)C2)cccc1[N+](=O)[O-] ZINC000275489296 193056588 /nfs/dbraw/zinc/05/65/88/193056588.db2.gz PKKCYWFLNNEBFV-CQSZACIVSA-N 0 1 278.352 2.496 20 5 CEBDMN CCN(CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C(C)C ZINC000171057011 367468818 /nfs/dbraw/zinc/46/88/18/367468818.db2.gz FRTQWVYEQKYIPV-UHFFFAOYSA-N 0 1 291.351 2.214 20 5 CEBDMN CCc1[nH]nc(C(=O)N(C)Cc2ccc(C)o2)c1[N+](=O)[O-] ZINC000171273216 367510361 /nfs/dbraw/zinc/51/03/61/367510361.db2.gz SWTGRLBHRKHYRB-UHFFFAOYSA-N 0 1 292.295 2.054 20 5 CEBDMN CCCc1[nH]nc(C(=O)N(C)C2CCCC2)c1[N+](=O)[O-] ZINC000172330538 367719490 /nfs/dbraw/zinc/71/94/90/367719490.db2.gz LQGMVDSZJGZGDB-UHFFFAOYSA-N 0 1 280.328 2.285 20 5 CEBDMN CCOc1ccc([N+](=O)[O-])cc1CN(C)CCCOC ZINC000175131456 368103814 /nfs/dbraw/zinc/10/38/14/368103814.db2.gz ZLNMGANYACFGAV-UHFFFAOYSA-N 0 1 282.340 2.462 20 5 CEBDMN Cc1ccc([C@H](C)NCc2cncn2C)cc1[N+](=O)[O-] ZINC000175057280 368094400 /nfs/dbraw/zinc/09/44/00/368094400.db2.gz FKCSURBOTSTKFW-NSHDSACASA-N 0 1 274.324 2.488 20 5 CEBDMN CCC[C@H]1SCCN1C(=O)c1n[nH]c(CC)c1[N+](=O)[O-] ZINC000185664485 368838767 /nfs/dbraw/zinc/83/87/67/368838767.db2.gz TXQJHAQPLMUVMD-SECBINFHSA-N 0 1 298.368 2.196 20 5 CEBDMN Cn1cnc([N+](=O)[O-])c1CNC(C)(C)c1cccs1 ZINC000348418382 369041219 /nfs/dbraw/zinc/04/12/19/369041219.db2.gz UWJNQUVLRZLQDX-UHFFFAOYSA-N 0 1 280.353 2.415 20 5 CEBDMN Cc1cc([N+](=O)[O-])ccc1CN1CCSC[C@H]1CCO ZINC000349962181 369466569 /nfs/dbraw/zinc/46/65/69/369466569.db2.gz HNIFJVIQUIWMTO-CQSZACIVSA-N 0 1 296.392 2.203 20 5 CEBDMN COC(=O)[C@H]1CCN(Cc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000191806406 369744819 /nfs/dbraw/zinc/74/48/19/369744819.db2.gz IYPXUUXOZSYKCB-YPMHNXCESA-N 0 1 292.335 2.226 20 5 CEBDMN CN(Cc1cscn1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000352766578 369873736 /nfs/dbraw/zinc/87/37/36/369873736.db2.gz YAGDQKRAQMYBJB-UHFFFAOYSA-N 0 1 279.321 2.389 20 5 CEBDMN COc1ccc([N+](=O)[O-])cc1CNC[C@@H]1CCC=CO1 ZINC000194419700 370037459 /nfs/dbraw/zinc/03/74/59/370037459.db2.gz PJJXCOFNMJCMFR-ZDUSSCGKSA-N 0 1 278.308 2.386 20 5 CEBDMN Cc1c(C(=O)N2CCN(C)CC[C@H]2C)cccc1[N+](=O)[O-] ZINC000354005192 370173778 /nfs/dbraw/zinc/17/37/78/370173778.db2.gz FNNLRSRXMVLRLZ-LLVKDONJSA-N 0 1 291.351 2.069 20 5 CEBDMN Cc1cc(NC[C@H](O)C(F)F)c2cc([N+](=O)[O-])ccc2n1 ZINC000235905892 370580482 /nfs/dbraw/zinc/58/04/82/370580482.db2.gz JHZDPLAEUXWREW-LBPRGKRZSA-N 0 1 297.261 2.489 20 5 CEBDMN CC[C@@H](C)[N@@H+](CC(=O)[O-])Cc1ccc([N+](=O)[O-])cc1F ZINC000236856323 370640124 /nfs/dbraw/zinc/64/01/24/370640124.db2.gz PBUSIAYYMUULTG-SECBINFHSA-N 0 1 284.287 2.419 20 5 CEBDMN COC(=O)[C@@H]1CCN(Cc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000249056626 371287229 /nfs/dbraw/zinc/28/72/29/371287229.db2.gz IYPXUUXOZSYKCB-WCQYABFASA-N 0 1 292.335 2.226 20 5 CEBDMN C[C@H](Sc1nc(N)cc(N)n1)c1ccccc1[N+](=O)[O-] ZINC000361251637 371740634 /nfs/dbraw/zinc/74/06/34/371740634.db2.gz MXEYAGMWXGEPJQ-ZETCQYMHSA-N 0 1 291.336 2.233 20 5 CEBDMN CCNC(=O)[C@H](C)N[C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000268701940 372185742 /nfs/dbraw/zinc/18/57/42/372185742.db2.gz BUGSPRSTWAFZPI-MNOVXSKESA-N 0 1 279.340 2.078 20 5 CEBDMN CCN1C[C@@H](C)N(C(=O)c2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000344417543 217188578 /nfs/dbraw/zinc/18/85/78/217188578.db2.gz FECGNRMJUFVQCA-VXGBXAGGSA-N 0 1 291.351 2.150 20 5 CEBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@H]1CCc1ccccc1 ZINC000365299866 372821706 /nfs/dbraw/zinc/82/17/06/372821706.db2.gz QUVRFCSFITWCKE-RRFJBIMHSA-N 0 1 288.347 2.275 20 5 CEBDMN CC(=O)c1ccc(N[C@@H](C)c2nnc[nH]2)c([N+](=O)[O-])c1 ZINC000271162673 373154446 /nfs/dbraw/zinc/15/44/46/373154446.db2.gz QXPIGMXRJHDTGQ-ZETCQYMHSA-N 0 1 275.268 2.089 20 5 CEBDMN COc1ccc(NC(=O)[C@@H](C(C)C)N(C)C)cc1[N+](=O)[O-] ZINC000272839634 373676553 /nfs/dbraw/zinc/67/65/53/373676553.db2.gz GMCAGKJHMRJZQU-CYBMUJFWSA-N 0 1 295.339 2.128 20 5 CEBDMN CCc1[nH]nc(C(=O)N2C[C@@H]3CCCCC[C@H]32)c1[N+](=O)[O-] ZINC000371164292 373804503 /nfs/dbraw/zinc/80/45/03/373804503.db2.gz JVBYIPMQIQOCBT-GXSJLCMTSA-N 0 1 292.339 2.285 20 5 CEBDMN CCOC[C@@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)C(C)C ZINC000276865792 374329319 /nfs/dbraw/zinc/32/93/19/374329319.db2.gz KRCDEWIERRUZGB-CYBMUJFWSA-N 0 1 296.323 2.091 20 5 CEBDMN Cc1cccc([C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)c1 ZINC000373738248 374411987 /nfs/dbraw/zinc/41/19/87/374411987.db2.gz VZQFEMVJKIHIIJ-SYQHCUMBSA-N 0 1 274.320 2.022 20 5 CEBDMN O=[N+]([O-])c1cccc(CN2CCC[C@H](c3nnc[nH]3)C2)c1 ZINC000374051247 374473497 /nfs/dbraw/zinc/47/34/97/374473497.db2.gz QLXUNSJUBYCYKO-LBPRGKRZSA-N 0 1 287.323 2.093 20 5 CEBDMN C[C@@H]1CC[C@H](C)N1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000408162627 375419765 /nfs/dbraw/zinc/41/97/65/375419765.db2.gz YEEGILZWAKMBCD-DTORHVGOSA-N 0 1 264.281 2.313 20 5 CEBDMN Cc1cc([C@@H]2CCCN(c3ccc([N+](=O)[O-])cn3)C2)[nH]n1 ZINC000282282548 375447093 /nfs/dbraw/zinc/44/70/93/375447093.db2.gz PSCVKJIHNOMFBF-LLVKDONJSA-N 0 1 287.323 2.405 20 5 CEBDMN C[C@@H]1CCC[C@@H](CO)N1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000283072701 375648271 /nfs/dbraw/zinc/64/82/71/375648271.db2.gz KFKBVMLIIFZMQU-PWSUYJOCSA-N 0 1 282.315 2.469 20 5 CEBDMN C[C@@H](N[C@@H](C)c1cnn(C)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000283921999 375781814 /nfs/dbraw/zinc/78/18/14/375781814.db2.gz DRJIZCVWVZFVPP-ZJUUUORDSA-N 0 1 289.339 2.322 20 5 CEBDMN CCN1CCN(Cc2csc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000286768180 376060795 /nfs/dbraw/zinc/06/07/95/376060795.db2.gz ZRGJUOXMIJXZNK-SNVBAGLBSA-N 0 1 269.370 2.182 20 5 CEBDMN CC[C@H](CN1CCc2ccc([N+](=O)[O-])cc2C1)OC ZINC000419230915 376404126 /nfs/dbraw/zinc/40/41/26/376404126.db2.gz JIYFICIQKMMEQV-CQSZACIVSA-N 0 1 264.325 2.378 20 5 CEBDMN C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[C@@H](C)[C@@H](O)C1 ZINC000305760141 376476971 /nfs/dbraw/zinc/47/69/71/376476971.db2.gz JKPICXRDPYIFSV-GYSYKLTISA-N 0 1 264.325 2.359 20 5 CEBDMN CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+](C)CCC(=O)[O-] ZINC000262668002 190059954 /nfs/dbraw/zinc/05/99/54/190059954.db2.gz QKCSHUMKKPVKAY-UHFFFAOYSA-N 0 1 296.323 2.289 20 5 CEBDMN O=[N+]([O-])c1ccc(NCCCc2nc[nH]n2)c2ccncc21 ZINC000315563363 376799281 /nfs/dbraw/zinc/79/92/81/376799281.db2.gz CYRLLDBUOYYMFG-UHFFFAOYSA-N 0 1 298.306 2.306 20 5 CEBDMN C[C@H]1CN(Cc2cc(O)ccc2[N+](=O)[O-])CCS1 ZINC000330614302 377197217 /nfs/dbraw/zinc/19/72/17/377197217.db2.gz RWTQAILOWRIPTE-VIFPVBQESA-N 0 1 268.338 2.238 20 5 CEBDMN CC(C)[C@H]1CCCCN1Cc1c([N+](=O)[O-])ncn1C ZINC000331043600 377255926 /nfs/dbraw/zinc/25/59/26/377255926.db2.gz DPGHHIGVRHLPPH-LLVKDONJSA-N 0 1 266.345 2.339 20 5 CEBDMN CC(C)C[C@H]1OCCC[C@H]1NCc1c([N+](=O)[O-])ncn1C ZINC000331133932 377295726 /nfs/dbraw/zinc/29/57/26/377295726.db2.gz RHNSPNWJRPTUNS-DGCLKSJQSA-N 0 1 296.371 2.012 20 5 CEBDMN Cc1nc(CCNc2cc(C)c([N+](=O)[O-])cc2F)n[nH]1 ZINC000292819393 377295689 /nfs/dbraw/zinc/29/56/89/377295689.db2.gz ZRAOYOHWZDSBKV-UHFFFAOYSA-N 0 1 279.275 2.123 20 5 CEBDMN Cc1nnc(CCNc2cc(C)c([N+](=O)[O-])cc2F)[nH]1 ZINC000292819393 377295697 /nfs/dbraw/zinc/29/56/97/377295697.db2.gz ZRAOYOHWZDSBKV-UHFFFAOYSA-N 0 1 279.275 2.123 20 5 CEBDMN O=[N+]([O-])c1ccn(C2CCN(Cc3cccnc3)CC2)n1 ZINC000332425101 377599334 /nfs/dbraw/zinc/59/93/34/377599334.db2.gz BOQVPHAGEAUXIW-UHFFFAOYSA-N 0 1 287.323 2.023 20 5 CEBDMN C[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C[C@@H]1C(=O)[O-] ZINC000565303026 377635638 /nfs/dbraw/zinc/63/56/38/377635638.db2.gz KRCPUSVWKBKIBT-GWCFXTLKSA-N 0 1 278.308 2.137 20 5 CEBDMN Cc1n[nH]c(C(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)c1C ZINC000295458689 378166864 /nfs/dbraw/zinc/16/68/64/378166864.db2.gz XFCBBTUNGDZQJA-JTQLQIEISA-N 0 1 288.307 2.426 20 5 CEBDMN CC1(CN2CCN(c3ncccc3[N+](=O)[O-])CC2)CCC1 ZINC000295982915 378381538 /nfs/dbraw/zinc/38/15/38/378381538.db2.gz KFCJWCZRSJYZTR-UHFFFAOYSA-N 0 1 290.367 2.302 20 5 CEBDMN CC[N@H+]1CCC[C@H]1CNc1ccc([N+](=O)[O-])c(N)c1F ZINC000296632504 378598125 /nfs/dbraw/zinc/59/81/25/378598125.db2.gz VSQHVTCAFZFHNR-VIFPVBQESA-N 0 1 282.319 2.212 20 5 CEBDMN C[C@](O)(CNCc1csc([N+](=O)[O-])c1)c1ccco1 ZINC000266184743 190238364 /nfs/dbraw/zinc/23/83/64/190238364.db2.gz WNNJRXGSADYUBN-LBPRGKRZSA-N 0 1 282.321 2.247 20 5 CEBDMN Cc1nc([C@@H]2CCCN(c3ccccc3[N+](=O)[O-])C2)n[nH]1 ZINC000301629869 379291683 /nfs/dbraw/zinc/29/16/83/379291683.db2.gz CCXNIVIQBDWSNK-LLVKDONJSA-N 0 1 287.323 2.405 20 5 CEBDMN Cc1nnc([C@@H]2CCCN(c3ccccc3[N+](=O)[O-])C2)[nH]1 ZINC000301629869 379291692 /nfs/dbraw/zinc/29/16/92/379291692.db2.gz CCXNIVIQBDWSNK-LLVKDONJSA-N 0 1 287.323 2.405 20 5 CEBDMN C[C@@H](NC(=O)CN1CC[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000548826126 380568907 /nfs/dbraw/zinc/56/89/07/380568907.db2.gz WESIBVAYJRZIGF-VXGBXAGGSA-N 0 1 291.351 2.114 20 5 CEBDMN COc1cc(CN2CCC3(CCO3)CC2)ccc1[N+](=O)[O-] ZINC000554564093 380783020 /nfs/dbraw/zinc/78/30/20/380783020.db2.gz NMJNUWYUTVRGEB-UHFFFAOYSA-N 0 1 292.335 2.358 20 5 CEBDMN O=[N+]([O-])c1ccc2c(c1)CN(CC1CCOCC1)CCO2 ZINC000352622230 285142091 /nfs/dbraw/zinc/14/20/91/285142091.db2.gz YZCITKYWJABMLC-UHFFFAOYSA-N 0 1 292.335 2.216 20 5 CEBDMN CCn1c(C)nc([N+](=O)[O-])c1N[C@H](C)Cc1cc(C)n[nH]1 ZINC000288864726 197181745 /nfs/dbraw/zinc/18/17/45/197181745.db2.gz LIJNPXBIVLDADY-MRVPVSSYSA-N 0 1 292.343 2.194 20 5 CEBDMN Cc1[nH]nc(C(=O)N2CCC[C@H]2C2CCC2)c1[N+](=O)[O-] ZINC000263982400 131372785 /nfs/dbraw/zinc/37/27/85/131372785.db2.gz BUQNZJLHFGAPCV-JTQLQIEISA-N 0 1 278.312 2.031 20 5 CEBDMN CC(C)c1[nH]nc(C(=O)N(C)[C@@H](C)C2CC2)c1[N+](=O)[O-] ZINC000331990843 394635439 /nfs/dbraw/zinc/63/54/39/394635439.db2.gz YWAFEOOSHMVSHI-QMMMGPOBSA-N 0 1 280.328 2.312 20 5 CEBDMN CC[C@H]1CN(c2ccccc2[N+](=O)[O-])CCN1CCOC ZINC000110560517 394736308 /nfs/dbraw/zinc/73/63/08/394736308.db2.gz ATTXNQCQESJGJT-ZDUSSCGKSA-N 0 1 293.367 2.142 20 5 CEBDMN CC(C)c1nc([C@H](C)Nc2ncc([N+](=O)[O-])s2)n[nH]1 ZINC000282003044 394893865 /nfs/dbraw/zinc/89/38/65/394893865.db2.gz UMLXPYNZPCNHBW-LURJTMIESA-N 0 1 282.329 2.466 20 5 CEBDMN O=[N+]([O-])c1cnc(NC[C@@H]2CCCCN2C2CC2)s1 ZINC000282079447 394907634 /nfs/dbraw/zinc/90/76/34/394907634.db2.gz ZPXULJFBUPHZJW-JTQLQIEISA-N 0 1 282.369 2.480 20 5 CEBDMN C[C@@H]1CC[C@@H](C)N1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000138265993 394972735 /nfs/dbraw/zinc/97/27/35/394972735.db2.gz KNTYUENXACXTRN-RKDXNWHRSA-N 0 1 288.307 2.484 20 5 CEBDMN CNC(=O)[C@H](C)N[C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417350151 395120283 /nfs/dbraw/zinc/12/02/83/395120283.db2.gz OLBOQZYORPLWFS-HZMBPMFUSA-N 0 1 291.351 2.086 20 5 CEBDMN CC[C@@H]1CCCN1C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000433765495 395244035 /nfs/dbraw/zinc/24/40/35/395244035.db2.gz KZERFJBCXJRMPQ-SECBINFHSA-N 0 1 280.328 2.456 20 5 CEBDMN Cc1cccc([N+](=O)[O-])c1C(=O)N1CCN(C)CC[C@H]1C ZINC000446035093 395478826 /nfs/dbraw/zinc/47/88/26/395478826.db2.gz AKKZGWKPCVFDKL-GFCCVEGCSA-N 0 1 291.351 2.069 20 5 CEBDMN O=[N+]([O-])c1cccc(Cl)c1CN1C[C@@H]2CC[C@@H](O)[C@@H]2C1 ZINC000228107117 153357221 /nfs/dbraw/zinc/35/72/21/153357221.db2.gz KTVQUBDJRUKSJA-IMSIIYSGSA-N 0 1 296.754 2.451 20 5 CEBDMN C[C@@]1(O)CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000230378821 153393595 /nfs/dbraw/zinc/39/35/95/153393595.db2.gz LHKVGRZPVDITHH-CQSZACIVSA-N 0 1 264.325 2.332 20 5 CEBDMN Cc1c(C[N@H+]([C@H](C)C(=O)[O-])C2CC2)cccc1[N+](=O)[O-] ZINC000263329999 154057965 /nfs/dbraw/zinc/05/79/65/154057965.db2.gz LUYIIYICRCFIKL-SNVBAGLBSA-N 0 1 278.308 2.341 20 5 CEBDMN C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000170766408 165041663 /nfs/dbraw/zinc/04/16/63/165041663.db2.gz GVZBADKNIQCPCJ-LLVKDONJSA-N 0 1 250.298 2.206 20 5 CEBDMN Cn1ccnc1SCc1cc(O)ccc1[N+](=O)[O-] ZINC000562475042 298691610 /nfs/dbraw/zinc/69/16/10/298691610.db2.gz CMEFWXCTBLRFQH-UHFFFAOYSA-N 0 1 265.294 2.326 20 5 CEBDMN C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](C(=O)[O-])C1 ZINC000226446015 287152603 /nfs/dbraw/zinc/15/26/03/287152603.db2.gz WUFCKYWDSUJLGA-VHSXEESVSA-N 0 1 264.281 2.062 20 5 CEBDMN Cn1ncc2c1CCC[C@H]2NCc1cccc([N+](=O)[O-])c1 ZINC000035274159 172094020 /nfs/dbraw/zinc/09/40/20/172094020.db2.gz CFCXOQFGCPVWPX-CQSZACIVSA-N 0 1 286.335 2.496 20 5 CEBDMN C[C@@H]1[C@H](C)N(C)CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000356087893 228116063 /nfs/dbraw/zinc/11/60/63/228116063.db2.gz TXEGIOHLHCTODI-WDEREUQCSA-N 0 1 292.339 2.151 20 5 CEBDMN COc1ccc([N+](=O)[O-])cc1CN1CCC(CCO)CC1 ZINC000400926580 260070559 /nfs/dbraw/zinc/07/05/59/260070559.db2.gz MHUPMQYNMMKNHE-UHFFFAOYSA-N 0 1 294.351 2.198 20 5 CEBDMN O=[N+]([O-])c1ccc(CN2CCC[C@H](n3ccnn3)C2)cc1 ZINC000425357906 264132621 /nfs/dbraw/zinc/13/26/21/264132621.db2.gz YTIAKODWGWVOGK-AWEZNQCLSA-N 0 1 287.323 2.023 20 5 CEBDMN Cn1cc(CN[C@H]2CCCc3ccc([N+](=O)[O-])cc32)cn1 ZINC000192721037 274892389 /nfs/dbraw/zinc/89/23/89/274892389.db2.gz PUGIUDIMMXKKFK-HNNXBMFYSA-N 0 1 286.335 2.496 20 5 CEBDMN CC(C)c1[nH]nc(C(=O)N2CCC[C@H]2C)c1[N+](=O)[O-] ZINC000269513658 278000073 /nfs/dbraw/zinc/00/00/73/278000073.db2.gz PCIUPPWCFSEJJA-MRVPVSSYSA-N 0 1 266.301 2.066 20 5 CEBDMN O=[N+]([O-])c1cc(Cl)ccc1NCCN1CCC(O)CC1 ZINC000321746888 280600357 /nfs/dbraw/zinc/60/03/57/280600357.db2.gz LRBIYECUBRBKPA-UHFFFAOYSA-N 0 1 299.758 2.117 20 5 CEBDMN Cn1cnc([N+](=O)[O-])c1CN(C1CCC1)C1CCC1 ZINC000429120630 281225179 /nfs/dbraw/zinc/22/51/79/281225179.db2.gz BIKNXMGFJVLPOP-UHFFFAOYSA-N 0 1 264.329 2.235 20 5 CEBDMN COc1cc(/C=C/c2cnccn2)cc([N+](=O)[O-])c1O ZINC000560056538 298632574 /nfs/dbraw/zinc/63/25/74/298632574.db2.gz QVUNXBKAGOJRJI-NSCUHMNNSA-N 0 1 273.248 2.269 20 5 CEBDMN Cn1cncc1CNC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000175985529 312704741 /nfs/dbraw/zinc/70/47/41/312704741.db2.gz WZKJBKWKLXJGRA-UHFFFAOYSA-N 0 1 274.324 2.353 20 5 CEBDMN COc1ccc(C[N@@H+](CC(=O)[O-])C2CCC2)cc1[N+](=O)[O-] ZINC000514872033 313061128 /nfs/dbraw/zinc/06/11/28/313061128.db2.gz FLJIXNLCXDDDNI-UHFFFAOYSA-N 0 1 294.307 2.043 20 5 CEBDMN CC(C)C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)CC(=O)[O-] ZINC000573733652 314174882 /nfs/dbraw/zinc/17/48/82/314174882.db2.gz JARUQAZRRLTMPY-UHFFFAOYSA-N 0 1 296.323 2.016 20 5 CEBDMN Cc1nc([C@@H](C)N2CCc3c(cccc3[N+](=O)[O-])C2)n[nH]1 ZINC000580406019 322315429 /nfs/dbraw/zinc/31/54/29/322315429.db2.gz VUDBIVHIHTVTNQ-SECBINFHSA-N 0 1 287.323 2.141 20 5 CEBDMN CCC[C@@H](N[C@H]1COC[C@@H]1OC)c1cccc([N+](=O)[O-])c1 ZINC000289574513 520795374 /nfs/dbraw/zinc/79/53/74/520795374.db2.gz ACSVQZHPQDTGHL-ILXRZTDVSA-N 0 1 294.351 2.439 20 5 CEBDMN CCCc1[nH]nc(C(=O)N2CC3(C2)CCCC3)c1[N+](=O)[O-] ZINC000366676931 521326826 /nfs/dbraw/zinc/32/68/26/521326826.db2.gz DTWPOYSBRBOSNK-UHFFFAOYSA-N 0 1 292.339 2.287 20 5 CEBDMN O=C(Nc1nc(C2CCC2)n[nH]1)c1csc([N+](=O)[O-])c1 ZINC000184637792 527496772 /nfs/dbraw/zinc/49/67/72/527496772.db2.gz FJTQSLZQAJVZJO-UHFFFAOYSA-N 0 1 293.308 2.294 20 5 CEBDMN O=C(Nc1n[nH]c(C2CCC2)n1)c1csc([N+](=O)[O-])c1 ZINC000184637792 527496778 /nfs/dbraw/zinc/49/67/78/527496778.db2.gz FJTQSLZQAJVZJO-UHFFFAOYSA-N 0 1 293.308 2.294 20 5 CEBDMN CC(C)[C@H](C(=O)OCc1cccc([N+](=O)[O-])c1)N(C)C ZINC000730088707 574500896 /nfs/dbraw/zinc/50/08/96/574500896.db2.gz MBJVFUYQNUCOFM-CYBMUJFWSA-N 0 1 280.324 2.224 20 5 CEBDMN CN(C(=O)[O-])[C@@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000739588070 574927919 /nfs/dbraw/zinc/92/79/19/574927919.db2.gz YPWGQTPUHQBEHW-CYBMUJFWSA-N 0 1 293.323 2.169 20 5 CEBDMN CN(C(=O)[O-])[C@@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000739588070 574927920 /nfs/dbraw/zinc/92/79/20/574927920.db2.gz YPWGQTPUHQBEHW-CYBMUJFWSA-N 0 1 293.323 2.169 20 5 CEBDMN Cc1nn(CN2CCC[C@@H]2C)c2ncc([N+](=O)[O-])cc12 ZINC000751924275 575301176 /nfs/dbraw/zinc/30/11/76/575301176.db2.gz IYHPATFTEGIBFR-VIFPVBQESA-N 0 1 275.312 2.090 20 5 CEBDMN Cc1c(C[N@@H+]2C[C@H](C)[C@@H](C(=O)[O-])C2)cccc1[N+](=O)[O-] ZINC000223800041 601540460 /nfs/dbraw/zinc/54/04/60/601540460.db2.gz AQNUILKSAMVDEC-CABZTGNLSA-N 0 1 278.308 2.056 20 5 CEBDMN C[C@]1(C(=O)[O-])CC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000828029146 601922531 /nfs/dbraw/zinc/92/25/31/601922531.db2.gz SDVMWGXQNRVSSA-ZDUSSCGKSA-N 0 1 282.271 2.031 20 5 CEBDMN C[C@@H]1C[N@@H+](Cc2ccccc2[N+](=O)[O-])CC[C@@H]1NC(=O)[O-] ZINC000739187092 602765381 /nfs/dbraw/zinc/76/53/81/602765381.db2.gz HHOJLQYKAMYSFM-PWSUYJOCSA-N 0 1 293.323 2.073 20 5 CEBDMN C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](N(C)C(=O)[O-])C1 ZINC000825637781 603794674 /nfs/dbraw/zinc/79/46/74/603794674.db2.gz HDQAMIPHZRDFEI-WDEREUQCSA-N 0 1 293.323 2.340 20 5 CEBDMN CC[N@@H+](CC(=O)[O-])Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000829635283 604789077 /nfs/dbraw/zinc/78/90/77/604789077.db2.gz ACFKWRKKMBZWAW-UHFFFAOYSA-N 0 1 272.688 2.155 20 5 CEBDMN CC[S@@](=O)CCNCc1cc([N+](=O)[O-])ccc1Cl ZINC000134736499 622778319 /nfs/dbraw/zinc/77/83/19/622778319.db2.gz NOTTWWQRZZDHAI-SFHVURJKSA-N 0 1 290.772 2.106 20 5 CEBDMN CC(C)C(=O)N[C@H]1C[C@H](NCc2csc([N+](=O)[O-])c2)C1 ZINC001019994444 627934632 /nfs/dbraw/zinc/93/46/32/627934632.db2.gz UBFPHXLEJCRDBO-XYPYZODXSA-N 0 1 297.380 2.049 20 5 CEBDMN Cc1nc2c(n1Cc1cccnc1[N+](=O)[O-])CCCC2 ZINC000902424573 634647278 /nfs/dbraw/zinc/64/72/78/634647278.db2.gz SPHVOXLMBQOKJV-UHFFFAOYSA-N 0 1 272.308 2.422 20 5 CEBDMN O=C(/C=C/[C@H]1CCCO1)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000821398971 634710375 /nfs/dbraw/zinc/71/03/75/634710375.db2.gz WAZYGFZZKMTFNF-FVOPLDGLSA-N 0 1 293.275 2.079 20 5 CEBDMN O=C(/C=C\[C@H]1CCCO1)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000821398973 634711196 /nfs/dbraw/zinc/71/11/96/634711196.db2.gz WAZYGFZZKMTFNF-TXNVCOODSA-N 0 1 293.275 2.079 20 5 CEBDMN CN1CC[C@@H]2CC[C@H](C1)N2c1ncc([N+](=O)[O-])cc1Cl ZINC000895192164 630021998 /nfs/dbraw/zinc/02/19/98/630021998.db2.gz YHHBAGWRWNXVSX-VHSXEESVSA-N 0 1 296.758 2.316 20 5 CEBDMN CCn1ncnc1CNC[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000897459518 631531173 /nfs/dbraw/zinc/53/11/73/631531173.db2.gz LVMBYXOMUKVBEA-NSHDSACASA-N 0 1 289.339 2.100 20 5 CEBDMN CCc1cc(CNc2c3ccccc3ncc2[N+](=O)[O-])n[nH]1 ZINC000813594533 632712310 /nfs/dbraw/zinc/71/23/10/632712310.db2.gz NPSZRCHHIBAYOM-UHFFFAOYSA-N 0 1 297.318 2.463 20 5 CEBDMN CC[C@@](O)(CNCc1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC000905066133 635809518 /nfs/dbraw/zinc/80/95/18/635809518.db2.gz NVBJICFFNXJSDF-LLVKDONJSA-N 0 1 292.257 2.388 20 5 CEBDMN COC(=O)[C@H]1C[C@H](NCc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000827812624 636431599 /nfs/dbraw/zinc/43/15/99/636431599.db2.gz SAEYNSUOXXYUMR-JLIMDTESSA-N 0 1 298.726 2.289 20 5 CEBDMN Cc1nc(CCOC(=O)c2ccc([N+](=O)[O-])[nH]2)cs1 ZINC000835906320 638449020 /nfs/dbraw/zinc/44/90/20/638449020.db2.gz GZPMZUUCRWITBN-UHFFFAOYSA-N 0 1 281.293 2.087 20 5 CEBDMN CC[C@@H]1OCC[C@H]1C(=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837725711 639359490 /nfs/dbraw/zinc/35/94/90/639359490.db2.gz SFRTTZVBLFKWFU-YPMHNXCESA-N 0 1 295.291 2.159 20 5 CEBDMN CO[C@@H](COC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000840673456 639520883 /nfs/dbraw/zinc/52/08/83/639520883.db2.gz NYGMMYNSHUJVKR-UTUOFQBUSA-N 0 1 299.710 2.236 20 5 CEBDMN Cc1ccc(CNC[C@H](O)c2ccc([N+](=O)[O-])cc2)o1 ZINC000113711366 640439464 /nfs/dbraw/zinc/43/94/64/640439464.db2.gz ZPKSEXXAZDFHEL-AWEZNQCLSA-N 0 1 276.292 2.319 20 5 CEBDMN Cc1nn(C[N@@H+]2CC[C@H](C)[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000174963735 641298396 /nfs/dbraw/zinc/29/83/96/641298396.db2.gz IPHWWFGMUGOZLT-WPRPVWTQSA-N 0 1 252.318 2.096 20 5 CEBDMN Cc1nn(CN2CC[C@H](C)[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000174963735 641298402 /nfs/dbraw/zinc/29/84/02/641298402.db2.gz IPHWWFGMUGOZLT-WPRPVWTQSA-N 0 1 252.318 2.096 20 5 CEBDMN CCc1nc([C@@H](C)OC(=O)c2ccccc2[N+](=O)[O-])n[nH]1 ZINC000849628127 642374031 /nfs/dbraw/zinc/37/40/31/642374031.db2.gz KGKJKNRIZCKLEL-MRVPVSSYSA-N 0 1 290.279 2.193 20 5 CEBDMN CCOC1(COC(=O)c2ccc([N+](=O)[O-])[nH]2)CCC1 ZINC000851551351 643062819 /nfs/dbraw/zinc/06/28/19/643062819.db2.gz ZRJWYKMRHHYIGB-UHFFFAOYSA-N 0 1 268.269 2.039 20 5 CEBDMN C[C@@H](NC[C@@H](O)c1ccccn1)c1ccccc1[N+](=O)[O-] ZINC000851907314 643219008 /nfs/dbraw/zinc/21/90/08/643219008.db2.gz SNDKSNZSAVJYLI-IAQYHMDHSA-N 0 1 287.319 2.374 20 5 CEBDMN CCCN1CCN(c2cc(OC)c(C)cc2[N+](=O)[O-])CC1 ZINC000853086929 643647279 /nfs/dbraw/zinc/64/72/79/643647279.db2.gz RWOBRKPGPVPFGB-UHFFFAOYSA-N 0 1 293.367 2.444 20 5 CEBDMN CN(CC1CN(C)C1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000853824579 643911545 /nfs/dbraw/zinc/91/15/45/643911545.db2.gz KIBKSKHZNWCAFW-UHFFFAOYSA-N 0 1 269.732 2.246 20 5 CEBDMN CN(CCC(=O)N1CCCC1)Cc1ccccc1[N+](=O)[O-] ZINC000838787389 644023259 /nfs/dbraw/zinc/02/32/59/644023259.db2.gz NCUOKPHMAFCMAQ-UHFFFAOYSA-N 0 1 291.351 2.039 20 5 CEBDMN C[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000839459794 644235700 /nfs/dbraw/zinc/23/57/00/644235700.db2.gz UDHSGZKLVUXSMU-AVPPRXQKSA-N 0 1 268.700 2.182 20 5 CEBDMN O=C(N[C@H]1CCSc2c(F)cccc21)[C@@H]1CC1[N+](=O)[O-] ZINC000839468894 644237254 /nfs/dbraw/zinc/23/72/54/644237254.db2.gz BANPQIOPBGOTSC-DVVUODLYSA-N 0 1 296.323 2.144 20 5 CEBDMN CCN(Cc1ccc(Cl)cc1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839513569 644240464 /nfs/dbraw/zinc/24/04/64/644240464.db2.gz XNZHRSBOQQJWLJ-VXGBXAGGSA-N 0 1 282.727 2.354 20 5 CEBDMN CCCN(Cc1ccc(F)cc1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839511336 644245700 /nfs/dbraw/zinc/24/57/00/644245700.db2.gz JHMBZJQPXFCLNN-CHWSQXEVSA-N 0 1 280.299 2.230 20 5 CEBDMN CC1(C)CN(C(=O)[C@@H]2CC2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000839572807 644746752 /nfs/dbraw/zinc/74/67/52/644746752.db2.gz KMAJTNDQRMFGKN-JHJVBQTASA-N 0 1 274.320 2.261 20 5 CEBDMN Cc1cc(C)cc([C@H](C)NC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC000839668238 644770408 /nfs/dbraw/zinc/77/04/08/644770408.db2.gz ZSHMJJVAIBPCDU-CYZMBNFOSA-N 0 1 262.309 2.146 20 5 CEBDMN Cc1ccccc1[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])C(C)C ZINC000839687111 644773376 /nfs/dbraw/zinc/77/33/76/644773376.db2.gz VWQVZAAAWTWYRL-MCIONIFRSA-N 0 1 276.336 2.474 20 5 CEBDMN CC(C)[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccccc1 ZINC000839689373 644774244 /nfs/dbraw/zinc/77/42/44/644774244.db2.gz NWNOXEKIQQMVOX-JHJVBQTASA-N 0 1 262.309 2.165 20 5 CEBDMN CCCCC[C@H]1CCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839706676 644787498 /nfs/dbraw/zinc/78/74/98/644787498.db2.gz ORPYEDFPLAASBO-QJPTWQEYSA-N 0 1 254.330 2.223 20 5 CEBDMN CC(C)(CNC(=O)[C@@H]1CC1[N+](=O)[O-])C1=CCCCC1 ZINC000839727860 644794051 /nfs/dbraw/zinc/79/40/51/644794051.db2.gz GAYSIBVAQQHHOV-VXGBXAGGSA-N 0 1 266.341 2.294 20 5 CEBDMN CN(Cc1cc(Cl)ccc1F)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839739095 644799645 /nfs/dbraw/zinc/79/96/45/644799645.db2.gz FVNZYZRBROGNJS-MWLCHTKSSA-N 0 1 286.690 2.103 20 5 CEBDMN O=C(N[C@H]1CC[C@H](c2cccc(F)c2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000839748386 644804890 /nfs/dbraw/zinc/80/48/90/644804890.db2.gz RQSQOGCMTOPSIZ-SCUASFONSA-N 0 1 292.310 2.243 20 5 CEBDMN O=C(N[C@@H]1CCCc2c(F)cc(F)cc21)[C@@H]1CC1[N+](=O)[O-] ZINC000839780024 644813937 /nfs/dbraw/zinc/81/39/37/644813937.db2.gz ORPPNWYPZDRIQJ-RAIGVLPGSA-N 0 1 296.273 2.124 20 5 CEBDMN CC(C)[C@H]1N(C(=O)[C@@H]2CC2[N+](=O)[O-])CC12CCCC2 ZINC000839792918 645267009 /nfs/dbraw/zinc/26/70/09/645267009.db2.gz PTCXMDZTVNRDAS-IJLUTSLNSA-N 0 1 266.341 2.079 20 5 CEBDMN C[C@H](NCC(=O)NCC(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000859320077 645457436 /nfs/dbraw/zinc/45/74/36/645457436.db2.gz UVUOXYQXBVEEAY-NSHDSACASA-N 0 1 293.367 2.408 20 5 CEBDMN CCC(N)=NOCc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000766069704 645844242 /nfs/dbraw/zinc/84/42/42/645844242.db2.gz OZUDWADGLLIAFW-UHFFFAOYSA-N 0 1 271.248 2.151 20 5 CEBDMN C[C@@H]1[C@@H](C)N(Cc2cc(F)ccc2[N+](=O)[O-])CCN1C ZINC000771458305 646521037 /nfs/dbraw/zinc/52/10/37/646521037.db2.gz GIVCECDYALEYKI-GHMZBOCLSA-N 0 1 281.331 2.258 20 5 CEBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCC1(C)OCCO1 ZINC000773139798 646710033 /nfs/dbraw/zinc/71/00/33/646710033.db2.gz RMUODZYLYGLQDB-NSHDSACASA-N 0 1 280.324 2.317 20 5 CEBDMN CCN[C@@H](C)c1nc(-c2ccc([N+](=O)[O-])s2)no1 ZINC000863670670 646786001 /nfs/dbraw/zinc/78/60/01/646786001.db2.gz QMMFQDOMBBEVNO-LURJTMIESA-N 0 1 268.298 2.377 20 5 CEBDMN CCN(C)C(=O)[C@H](C)NCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000789593529 648321074 /nfs/dbraw/zinc/32/10/74/648321074.db2.gz RLSCNSTXGDPZOL-VIFPVBQESA-N 0 1 299.758 2.205 20 5 CEBDMN C[C@@H]1C[C@@H](C(=O)OCc2cc(O)ccc2[N+](=O)[O-])[C@@H](C)O1 ZINC000869652634 648551112 /nfs/dbraw/zinc/55/11/12/648551112.db2.gz WAFIHXWNSYTXNK-KBVBSXBZSA-N 0 1 295.291 2.157 20 5 CEBDMN C[C@H](NCC1(CO)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872041996 649252024 /nfs/dbraw/zinc/25/20/24/649252024.db2.gz YPKOXDUWZURMOL-VIFPVBQESA-N 0 1 268.288 2.157 20 5 CEBDMN CO[C@]1(CN[C@@H](C)c2c(F)cccc2[N+](=O)[O-])CCOC1 ZINC000872062210 649258110 /nfs/dbraw/zinc/25/81/10/649258110.db2.gz LAKGDYZIEFSDHA-HZMBPMFUSA-N 0 1 298.314 2.190 20 5 CEBDMN C[C@@H](NCC1(CC(N)=O)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872079998 649266197 /nfs/dbraw/zinc/26/61/97/649266197.db2.gz MCUPALFIYRMEAQ-SECBINFHSA-N 0 1 295.314 2.040 20 5 CEBDMN Cc1c(CN[C@H](C)[C@@H](O)C(F)(F)F)cccc1[N+](=O)[O-] ZINC000873151528 649571222 /nfs/dbraw/zinc/57/12/22/649571222.db2.gz XPFNCALTFFAGOA-LDYMZIIASA-N 0 1 292.257 2.305 20 5 CEBDMN CC/C(C)=C\C(=O)NCCNCc1csc([N+](=O)[O-])c1 ZINC001126751519 806514981 /nfs/dbraw/zinc/51/49/81/806514981.db2.gz GLGSTTJCAAIEOB-POHAHGRESA-N 0 1 297.380 2.218 20 5 CEBDMN CC(=O)NCCCN(Cc1csc([N+](=O)[O-])c1)C(C)C ZINC001267223178 803249615 /nfs/dbraw/zinc/24/96/15/803249615.db2.gz XTZHCHIGVZJZHU-UHFFFAOYSA-N 0 1 299.396 2.393 20 5 CEBDMN O=[N+]([O-])[C@@H]1C[C@H]1c1nnc(-c2cc3c(s2)CCC3)o1 ZINC001118425594 815014385 /nfs/dbraw/zinc/01/43/85/815014385.db2.gz ONYVHAPXMPEESP-HTQZYQBOSA-N 0 1 277.305 2.419 20 5 CEBDMN CC[C@@H]1CCCC[C@H]1N(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001127095287 807019372 /nfs/dbraw/zinc/01/93/72/807019372.db2.gz IFRCOIFPHJZMBB-DDHJBXDOSA-N 0 1 254.330 2.079 20 5 CEBDMN COC1(OC)CC[C@@H]1NCc1cccc([N+](=O)[O-])c1C ZINC000710967183 810008270 /nfs/dbraw/zinc/00/82/70/810008270.db2.gz MLFHLLHYMLJUBE-ZDUSSCGKSA-N 0 1 280.324 2.144 20 5 CEBDMN COC1(OC)CC[C@@H]1N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000710969218 810008674 /nfs/dbraw/zinc/00/86/74/810008674.db2.gz WOATXAFJMQSKOR-GWCFXTLKSA-N 0 1 280.324 2.397 20 5 CEBDMN Cc1cnc(CN)n1-c1cc([N+](=O)[O-])ccc1Cl ZINC001169029525 811344223 /nfs/dbraw/zinc/34/42/23/811344223.db2.gz VVXZNPPNLPRWPS-UHFFFAOYSA-N 0 1 266.688 2.201 20 5 CEBDMN Cc1cnc2c(c1)CN([C@@H]1CC[C@H](C[N+](=O)[O-])C1)CC2 ZINC001169048872 811356721 /nfs/dbraw/zinc/35/67/21/811356721.db2.gz VOFZMUNKLSWYRX-GXTWGEPZSA-N 0 1 275.352 2.194 20 5 CEBDMN Cc1cc(Cl)nc(N[C@H]2CCN(C)C2)c1[N+](=O)[O-] ZINC001156580518 811822898 /nfs/dbraw/zinc/82/28/98/811822898.db2.gz MRMZZXNEABSWRA-QMMMGPOBSA-N 0 1 270.720 2.068 20 5 CEBDMN CCC(CC)C(=O)NCCNCc1csc([N+](=O)[O-])c1 ZINC001123821759 815562075 /nfs/dbraw/zinc/56/20/75/815562075.db2.gz YYMVBXLPTJCDDI-UHFFFAOYSA-N 0 1 299.396 2.298 20 5 CEBDMN CCN1CC[C@@H]1CNc1cc(OC)c([N+](=O)[O-])cc1F ZINC000712548462 814765637 /nfs/dbraw/zinc/76/56/37/814765637.db2.gz MTWPQIRXKLCAOR-SECBINFHSA-N 0 1 283.303 2.249 20 5 CEBDMN CCc1[nH]nc(C(=O)N2CC(C)(C)C2(C)C)c1[N+](=O)[O-] ZINC001116785892 814883325 /nfs/dbraw/zinc/88/33/25/814883325.db2.gz CWWKFQRSEUJSNR-UHFFFAOYSA-N 0 1 280.328 2.141 20 5 CEBDMN O=[N+]([O-])c1cc(Cl)cnc1N[C@H]1CN2CCC1CC2 ZINC000148458305 816351054 /nfs/dbraw/zinc/35/10/54/816351054.db2.gz LOZOAEKWVGWNOR-JTQLQIEISA-N 0 1 282.731 2.149 20 5 CEBDMN CC(C)OC[C@H](C)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000337490416 214117400 /nfs/dbraw/zinc/11/74/00/214117400.db2.gz DPZUSNKZQFLHTC-JTQLQIEISA-N 0 1 292.339 2.374 20 5 CEBDMN C[C@@H](Cc1ccccc1[N+](=O)[O-])NCc1ccn(C)n1 ZINC000449209390 282142933 /nfs/dbraw/zinc/14/29/33/282142933.db2.gz QLIWXIAZYJXNFI-NSHDSACASA-N 0 1 274.324 2.049 20 5 CEBDMN COC1CCN(CCNc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000080250727 344004496 /nfs/dbraw/zinc/00/44/96/344004496.db2.gz RGGQTEDWZCOCMQ-UHFFFAOYSA-N 0 1 297.330 2.257 20 5 CEBDMN Cc1ccc(CN2CCC3(CC2)OCCO3)cc1[N+](=O)[O-] ZINC000126083083 187216351 /nfs/dbraw/zinc/21/63/51/187216351.db2.gz TWIBXIBHCQADTC-UHFFFAOYSA-N 0 1 292.335 2.242 20 5 CEBDMN CC[C@H](NCC(=O)N(C)CC)c1cccc([N+](=O)[O-])c1 ZINC000181562208 529585914 /nfs/dbraw/zinc/58/59/14/529585914.db2.gz CFQCTOZEFUGYHH-ZDUSSCGKSA-N 0 1 279.340 2.114 20 5 CEBDMN CCN(C)Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000126281245 187229300 /nfs/dbraw/zinc/22/93/00/187229300.db2.gz SKOLKGOPNWOOLM-UHFFFAOYSA-N 0 1 254.286 2.064 20 5 CEBDMN O=C([O-])C[C@@H]1CCC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000042163787 362064477 /nfs/dbraw/zinc/06/44/77/362064477.db2.gz SQFWWHMRBJYIMC-NSHDSACASA-N 0 1 264.281 2.034 20 5 CEBDMN O=[N+]([O-])c1cc(CNC[C@H]2CCCCO2)cs1 ZINC000042817430 362121960 /nfs/dbraw/zinc/12/19/60/362121960.db2.gz OSTQZTGZVSOOBP-SNVBAGLBSA-N 0 1 256.327 2.315 20 5 CEBDMN O=[N+]([O-])c1cccc(CNC2(CF)CCOCC2)c1 ZINC000449447455 282241158 /nfs/dbraw/zinc/24/11/58/282241158.db2.gz ZXRWNGRHTYTRSN-UHFFFAOYSA-N 0 1 268.288 2.203 20 5 CEBDMN O=c1c2c([nH]n1-c1ccc([N+](=O)[O-])cc1)CCSC2 ZINC000601935829 346932389 /nfs/dbraw/zinc/93/23/89/346932389.db2.gz ZMZYQWMRBDDGPW-SNVBAGLBSA-N 0 1 277.305 2.051 20 5 CEBDMN CCOc1ccc(NC(=O)CN(CC)CC)c([N+](=O)[O-])c1 ZINC000046438260 362182398 /nfs/dbraw/zinc/18/23/98/362182398.db2.gz LIXVRZRPPBWWSO-UHFFFAOYSA-N 0 1 295.339 2.274 20 5 CEBDMN C[C@@H]1C[C@H](c2ccsc2)CN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000078196573 343943305 /nfs/dbraw/zinc/94/33/05/343943305.db2.gz NISSDVAIRTVNSX-KLHWPWHYSA-N 0 1 280.349 2.118 20 5 CEBDMN CCC[C@H](N[C@@H](C)C(=O)NC)c1cccc([N+](=O)[O-])c1 ZINC000049096073 362339179 /nfs/dbraw/zinc/33/91/79/362339179.db2.gz JJWHWWWLIFFTHD-GWCFXTLKSA-N 0 1 279.340 2.160 20 5 CEBDMN COc1ccc(CN2CCCCC[C@@H]2CO)cc1[N+](=O)[O-] ZINC000157012013 344444785 /nfs/dbraw/zinc/44/47/85/344444785.db2.gz NFWLFFYQWDWEBE-CYBMUJFWSA-N 0 1 294.351 2.340 20 5 CEBDMN CN(CCc1cccs1)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602478542 347052043 /nfs/dbraw/zinc/05/20/43/347052043.db2.gz ZEOFPMUAYHOOEX-UHFFFAOYSA-N 0 1 280.353 2.064 20 5 CEBDMN CCSCC[C@@H](C)N(C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602481536 347054136 /nfs/dbraw/zinc/05/41/36/347054136.db2.gz FXNINLXYKIGLMZ-SNVBAGLBSA-N 0 1 286.401 2.292 20 5 CEBDMN Cc1cc(-c2nc([C@H]3CCCN3)no2)cc([N+](=O)[O-])c1 ZINC000228560567 344561139 /nfs/dbraw/zinc/56/11/39/344561139.db2.gz IHAYGRJDKLNMJE-LLVKDONJSA-N 0 1 274.280 2.378 20 5 CEBDMN O=[N+]([O-])c1cc2c(cc1CN[C@@H]1CC13CC3)OCCO2 ZINC000591640363 345271657 /nfs/dbraw/zinc/27/16/57/345271657.db2.gz BVBXIPYFYJGVTK-CYBMUJFWSA-N 0 1 276.292 2.008 20 5 CEBDMN C[C@@H]1CN(Cc2cc(O)ccc2[N+](=O)[O-])C2(CCC2)CO1 ZINC000593092137 345436937 /nfs/dbraw/zinc/43/69/37/345436937.db2.gz NCXVARZGWPGTDL-LLVKDONJSA-N 0 1 292.335 2.444 20 5 CEBDMN C[C@H]1CCCN(Cc2cc([O-])ccc2[N+](=O)[O-])[C@H]1CC[NH3+] ZINC000593733299 345529774 /nfs/dbraw/zinc/52/97/74/345529774.db2.gz LENPBAYCYYOGAB-FZMZJTMJSA-N 0 1 293.367 2.250 20 5 CEBDMN Cc1cc(N(C)C[C@@H](C)O)c2cc([N+](=O)[O-])ccc2n1 ZINC000122239257 232205453 /nfs/dbraw/zinc/20/54/53/232205453.db2.gz GEGZTCROWFUBOJ-SNVBAGLBSA-N 0 1 275.308 2.268 20 5 CEBDMN CC1(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC=CC1 ZINC000594073332 345578754 /nfs/dbraw/zinc/57/87/54/345578754.db2.gz RFDGSVNTZFYYJC-UHFFFAOYSA-N 0 1 286.291 2.310 20 5 CEBDMN CO[C@H](CN(C)Cc1ccccc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000595288269 345754607 /nfs/dbraw/zinc/75/46/07/345754607.db2.gz MRDPXSQBBKJWKM-DZGCQCFKSA-N 0 1 294.351 2.078 20 5 CEBDMN O=[N+]([O-])c1ccccc1CCNCc1cc2n(n1)CCC2 ZINC000594928149 345705597 /nfs/dbraw/zinc/70/55/97/345705597.db2.gz DQVFYBXAKHAUCY-UHFFFAOYSA-N 0 1 286.335 2.070 20 5 CEBDMN O=[N+]([O-])c1ccc(CN[C@@H]2C[C@H](O)C23CCC3)c(F)c1 ZINC000594988010 345722683 /nfs/dbraw/zinc/72/26/83/345722683.db2.gz NOSUUQOSTKUYOL-OLZOCXBDSA-N 0 1 280.299 2.127 20 5 CEBDMN COC[C@@H](C)N[C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595006612 345725495 /nfs/dbraw/zinc/72/54/95/345725495.db2.gz MBUYIVSXOAMMBT-ZJUUUORDSA-N 0 1 268.313 2.289 20 5 CEBDMN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCc1cc(C)[nH]n1 ZINC000595010688 345726333 /nfs/dbraw/zinc/72/63/33/345726333.db2.gz WNKBUOKQMDFWOX-JTQLQIEISA-N 0 1 290.323 2.486 20 5 CEBDMN C[C@H]1[C@@H](CO)CCCN1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595539947 345806264 /nfs/dbraw/zinc/80/62/64/345806264.db2.gz FJCDIGPNRXQLNF-CMPLNLGQSA-N 0 1 282.315 2.327 20 5 CEBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N(C)Cc1n[nH]c(=O)o1 ZINC000595548269 345809262 /nfs/dbraw/zinc/80/92/62/345809262.db2.gz VABMJVKDMMVHGM-SECBINFHSA-N 0 1 292.295 2.185 20 5 CEBDMN O=[N+]([O-])c1cc(F)ccc1CN1CCN(C2CCC2)CC1 ZINC000595319277 345761767 /nfs/dbraw/zinc/76/17/67/345761767.db2.gz PIZQCJSYPMGLNQ-UHFFFAOYSA-N 0 1 293.342 2.404 20 5 CEBDMN COC[C@H](CN(Cc1cccc([N+](=O)[O-])c1)C1CC1)OC ZINC000595350462 345767037 /nfs/dbraw/zinc/76/70/37/345767037.db2.gz ATMLAECNEHXJSK-HNNXBMFYSA-N 0 1 294.351 2.221 20 5 CEBDMN O=[N+]([O-])c1ccc(O)cc1CN1CC[C@H]1C(F)(F)F ZINC000595489500 345794540 /nfs/dbraw/zinc/79/45/40/345794540.db2.gz TVDGWYXMPPXFKL-JTQLQIEISA-N 0 1 276.214 2.437 20 5 CEBDMN CN(Cc1ccc(F)cc1[N+](=O)[O-])CC(C)(C)CO ZINC000595527124 345804122 /nfs/dbraw/zinc/80/41/22/345804122.db2.gz PMJLJCVQFVATCA-UHFFFAOYSA-N 0 1 270.304 2.184 20 5 CEBDMN C[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2F)C[C@H](C)C1O ZINC000595746172 345865159 /nfs/dbraw/zinc/86/51/59/345865159.db2.gz YCUXATGBUHFVHD-UWVGGRQHSA-N 0 1 282.315 2.183 20 5 CEBDMN C[C@@]12COC[C@H]1CN(Cc1ccc([N+](=O)[O-])cc1F)C2 ZINC000595757372 345868646 /nfs/dbraw/zinc/86/86/46/345868646.db2.gz JENHJYGREWHHHS-BXUZGUMPSA-N 0 1 280.299 2.202 20 5 CEBDMN COc1ccc([N+](=O)[O-])cc1CN1C[C@@H]2COC[C@@]2(C)C1 ZINC000595756756 345868740 /nfs/dbraw/zinc/86/87/40/345868740.db2.gz WNUWSCGZRHVVPR-IUODEOHRSA-N 0 1 292.335 2.072 20 5 CEBDMN COc1cc([N+](=O)[O-])ccc1CN1C[C@H]2COC[C@@]2(C)C1 ZINC000595759403 345869429 /nfs/dbraw/zinc/86/94/29/345869429.db2.gz PQLSVIRLFNZJEB-SWLSCSKDSA-N 0 1 292.335 2.072 20 5 CEBDMN O=[N+]([O-])c1cnc(NC[C@H]2CCC[N@@H+](CC3CC3)C2)s1 ZINC000596569673 346057646 /nfs/dbraw/zinc/05/76/46/346057646.db2.gz BLDFRVNOJRJOEL-LLVKDONJSA-N 0 1 296.396 2.007 20 5 CEBDMN Cc1ccc([C@H](C)NC(=O)C2(N(C)C)CC2)cc1[N+](=O)[O-] ZINC000597348410 346175413 /nfs/dbraw/zinc/17/54/13/346175413.db2.gz GYBXHIVPARJBNP-NSHDSACASA-N 0 1 291.351 2.175 20 5 CEBDMN CC(C)c1[nH]nc(C(=O)N2CC3CC2(C)C3)c1[N+](=O)[O-] ZINC000598571471 346376333 /nfs/dbraw/zinc/37/63/33/346376333.db2.gz MUTAXXPWENSVPS-UHFFFAOYSA-N 0 1 278.312 2.066 20 5 CEBDMN Cc1cc([N+](=O)[O-])cc(Cl)c1NCCN1CC[C@H](O)C1 ZINC000599199438 346479027 /nfs/dbraw/zinc/47/90/27/346479027.db2.gz KYFMMFHGXYAVPD-NSHDSACASA-N 0 1 299.758 2.035 20 5 CEBDMN CC1(C)[C@H](NCc2cc(Cl)ccc2[N+](=O)[O-])C[C@@H]1O ZINC000128451917 187370795 /nfs/dbraw/zinc/37/07/95/187370795.db2.gz ICLRQNOZNREBSR-NEPJUHHUSA-N 0 1 284.743 2.497 20 5 CEBDMN Cc1ccccc1CCN(C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602676389 347138101 /nfs/dbraw/zinc/13/81/01/347138101.db2.gz ZRQBHYPPEZUQJL-UHFFFAOYSA-N 0 1 288.351 2.311 20 5 CEBDMN C[C@@H](C1CC1)N(Cc1cn(C)nc1[N+](=O)[O-])C1CC1 ZINC000602764201 347188784 /nfs/dbraw/zinc/18/87/84/347188784.db2.gz UUDMIDCWXHRHHY-VIFPVBQESA-N 0 1 264.329 2.091 20 5 CEBDMN O=[N+]([O-])c1ccccc1/C=C\CN1C[C@H]2CC[C@@H](C1)O2 ZINC000611272027 347761884 /nfs/dbraw/zinc/76/18/84/347761884.db2.gz DPIAJVPOYFGIAA-DRYSKOCLSA-N 0 1 274.320 2.471 20 5 CEBDMN Cc1noc(C)c1N(C)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000610908358 347721673 /nfs/dbraw/zinc/72/16/73/347721673.db2.gz ALNHZVMTIDAUSS-UHFFFAOYSA-N 0 1 291.263 2.182 20 5 CEBDMN CCN1CCN(Cc2csc([N+](=O)[O-])c2)C[C@H]1C ZINC000611092126 347738545 /nfs/dbraw/zinc/73/85/45/347738545.db2.gz JGYAJMVXKLKUGQ-SNVBAGLBSA-N 0 1 269.370 2.182 20 5 CEBDMN CN(Cc1cccc([N+](=O)[O-])c1)CC1=CCCOC1 ZINC000611254689 347759107 /nfs/dbraw/zinc/75/91/07/347759107.db2.gz DXIZQSYTVINMKR-UHFFFAOYSA-N 0 1 262.309 2.373 20 5 CEBDMN C[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)[C@H]1C(=O)[O-] ZINC000336849457 365925906 /nfs/dbraw/zinc/92/59/06/365925906.db2.gz ROAPGAZSDROJFK-NOZJJQNGSA-N 0 1 296.298 2.419 20 5 CEBDMN COC(=O)CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130178585 365931426 /nfs/dbraw/zinc/93/14/26/365931426.db2.gz DGRBYMXSADGUET-UHFFFAOYSA-N 0 1 278.308 2.122 20 5 CEBDMN CC(C)[C@@H](C)N(C)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000352105043 219323047 /nfs/dbraw/zinc/32/30/47/219323047.db2.gz FBYFQQLVKLMIIL-SECBINFHSA-N 0 1 266.297 2.417 20 5 CEBDMN CCCc1[nH]nc(C(=O)N2CC[C@H](C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000132012084 187601732 /nfs/dbraw/zinc/60/17/32/187601732.db2.gz SGDUEGQWWSTHGS-VHSXEESVSA-N 0 1 294.355 2.389 20 5 CEBDMN CC1(C)CCCC[C@H]1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000154064427 188120589 /nfs/dbraw/zinc/12/05/89/188120589.db2.gz DSTHVWXNCFELKQ-SECBINFHSA-N 0 1 266.301 2.017 20 5 CEBDMN Cc1ccccc1C[N@@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000157364290 188313003 /nfs/dbraw/zinc/31/30/03/188313003.db2.gz PAUGGFSCHZYJRV-UHFFFAOYSA-N 0 1 274.324 2.232 20 5 CEBDMN C[C@@H](CO)N(C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000132155398 366122563 /nfs/dbraw/zinc/12/25/63/366122563.db2.gz CIYUKIDAIKMOSQ-QMMMGPOBSA-N 0 1 258.705 2.061 20 5 CEBDMN C[C@H](CO)N(C)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000132209514 366126498 /nfs/dbraw/zinc/12/64/98/366126498.db2.gz PGWRKSVXUXJZMD-MRVPVSSYSA-N 0 1 258.705 2.061 20 5 CEBDMN CC1(C)COC[C@H]1NCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000451813812 283114108 /nfs/dbraw/zinc/11/41/08/283114108.db2.gz WDLOGGGXZQTDMU-GFCCVEGCSA-N 0 1 291.307 2.251 20 5 CEBDMN CC[C@@H]1CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CCS1 ZINC000272587770 191804676 /nfs/dbraw/zinc/80/46/76/191804676.db2.gz VGDWNLWRQCZZIL-GFCCVEGCSA-N 0 1 296.348 2.268 20 5 CEBDMN CCc1nc(CNc2ccc([N+](=O)[O-])cc2F)n[nH]1 ZINC000294940036 199261867 /nfs/dbraw/zinc/26/18/67/199261867.db2.gz LMGKJAQASRNXPB-UHFFFAOYSA-N 0 1 265.248 2.027 20 5 CEBDMN COC(=O)C[C@@H]1CCCN1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000179890031 189226616 /nfs/dbraw/zinc/22/66/16/189226616.db2.gz POSBMSNECTXVNG-ZDUSSCGKSA-N 0 1 292.335 2.431 20 5 CEBDMN Cc1cnc(CCNCc2csc([N+](=O)[O-])c2)nc1 ZINC000340104098 366772236 /nfs/dbraw/zinc/77/22/36/366772236.db2.gz IZUOWGXVQPICLY-UHFFFAOYSA-N 0 1 278.337 2.087 20 5 CEBDMN C[C@@H]1C[C@H](Nc2c3c(ccc2[N+](=O)[O-])NCC3)CC[N@H+]1C ZINC000572082388 299344023 /nfs/dbraw/zinc/34/40/23/299344023.db2.gz NJHMTEXQCANHDN-GHMZBOCLSA-N 0 1 290.367 2.457 20 5 CEBDMN CCOc1ccc([N+](=O)[O-])cc1CN[C@H]1CO[C@H](C)C1 ZINC000582002565 366848253 /nfs/dbraw/zinc/84/82/53/366848253.db2.gz SHWFSNVGJBFIAE-ZYHUDNBSSA-N 0 1 280.324 2.261 20 5 CEBDMN Cc1[nH]nc(C(=O)N2CC=C(C(C)(C)C)CC2)c1[N+](=O)[O-] ZINC000340393803 366870472 /nfs/dbraw/zinc/87/04/72/366870472.db2.gz FXTYCTZUOZQISY-UHFFFAOYSA-N 0 1 292.339 2.445 20 5 CEBDMN CC[C@@H]1CN(C)CCN1Cc1ccccc1[N+](=O)[O-] ZINC000582823773 366962193 /nfs/dbraw/zinc/96/21/93/366962193.db2.gz IKEMKFZHVFCJDN-CYBMUJFWSA-N 0 1 263.341 2.121 20 5 CEBDMN Cc1c([C@H](C)NCC(=O)NC(C)C)cccc1[N+](=O)[O-] ZINC000160951684 367045997 /nfs/dbraw/zinc/04/59/97/367045997.db2.gz PNCKTUDMTVHRPX-NSHDSACASA-N 0 1 279.340 2.078 20 5 CEBDMN CCC[C@@H](O)CN1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000583793344 367097195 /nfs/dbraw/zinc/09/71/95/367097195.db2.gz JBHVTAJVWYXRIJ-GFCCVEGCSA-N 0 1 264.325 2.114 20 5 CEBDMN CCN1CCN(Cc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000163289581 367228620 /nfs/dbraw/zinc/22/86/20/367228620.db2.gz IEDFXLFKEFIIEM-UHFFFAOYSA-N 0 1 283.759 2.386 20 5 CEBDMN C[C@H]1CN(CCOc2ccccc2[N+](=O)[O-])CCS1 ZINC000171688451 367592612 /nfs/dbraw/zinc/59/26/12/367592612.db2.gz HLAPVRAVDQKHBB-NSHDSACASA-N 0 1 282.365 2.411 20 5 CEBDMN C[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])c1c(F)cccc1F ZINC000343187500 367698465 /nfs/dbraw/zinc/69/84/65/367698465.db2.gz HTBRKDNJRPYUGU-ZCFIWIBFSA-N 0 1 296.233 2.087 20 5 CEBDMN COc1cc(CN2CCC(C)(CO)CC2)ccc1[N+](=O)[O-] ZINC000358044468 370882702 /nfs/dbraw/zinc/88/27/02/370882702.db2.gz IOSLSSRDLZRDAS-UHFFFAOYSA-N 0 1 294.351 2.198 20 5 CEBDMN Cc1c([C@H](C)NCC(=O)NCC2CC2)cccc1[N+](=O)[O-] ZINC000181293004 368441623 /nfs/dbraw/zinc/44/16/23/368441623.db2.gz ROZXQYXHHGGBHT-NSHDSACASA-N 0 1 291.351 2.080 20 5 CEBDMN Cc1[nH]nc(C(=O)N(C)[C@H]2CCC(C)(C)C2)c1[N+](=O)[O-] ZINC000358095575 370904522 /nfs/dbraw/zinc/90/45/22/370904522.db2.gz YUMWHFLHHQPEPZ-VIFPVBQESA-N 0 1 280.328 2.277 20 5 CEBDMN C[C@H](CC1CCCCC1)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000192554568 369828067 /nfs/dbraw/zinc/82/80/67/369828067.db2.gz SWFBJHADNNWSSC-SECBINFHSA-N 0 1 280.328 2.407 20 5 CEBDMN Cc1cccc(C)c1[C@@H](C)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000355179491 370535642 /nfs/dbraw/zinc/53/56/42/370535642.db2.gz YVACOVRIIOVHKE-SNVBAGLBSA-N 0 1 288.307 2.426 20 5 CEBDMN C[C@@H]1C[C@@H](C)[C@H](C)N(Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000355745109 370613285 /nfs/dbraw/zinc/61/32/85/370613285.db2.gz ZWIRYVLKFNXIKG-MXWKQRLJSA-N 0 1 266.345 2.195 20 5 CEBDMN C[C@@H]1CCC[C@H](CNC(=O)c2n[nH]cc2[N+](=O)[O-])[C@@H]1C ZINC000361241759 371735908 /nfs/dbraw/zinc/73/59/08/371735908.db2.gz CHTZXNIJBMMOCC-OPRDCNLKSA-N 0 1 280.328 2.120 20 5 CEBDMN COc1cc(CN2CC[C@H](CO)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000344136790 217068573 /nfs/dbraw/zinc/06/85/73/217068573.db2.gz VAQCFQYJYBHPJH-YPMHNXCESA-N 0 1 294.351 2.196 20 5 CEBDMN Cc1noc(CCCN(C)Cc2ccccc2[N+](=O)[O-])n1 ZINC000268649392 372169245 /nfs/dbraw/zinc/16/92/45/372169245.db2.gz JGKPIMURHXHMFQ-UHFFFAOYSA-N 0 1 290.323 2.351 20 5 CEBDMN O=[N+]([O-])c1ccc(NCCN2CCc3ccccc3C2)cn1 ZINC000353358264 220043845 /nfs/dbraw/zinc/04/38/45/220043845.db2.gz YPUFDUCIBCYMCF-UHFFFAOYSA-N 0 1 298.346 2.460 20 5 CEBDMN O=C(NCc1ccccc1-c1ccncc1)[C@@H]1CC1[N+](=O)[O-] ZINC000363066846 372623328 /nfs/dbraw/zinc/62/33/28/372623328.db2.gz VTSZDUBPSONXSZ-HUUCEWRRSA-N 0 1 297.314 2.030 20 5 CEBDMN CN1CCN(Cc2csc([N+](=O)[O-])c2)C(C)(C)C1 ZINC000270873700 372992291 /nfs/dbraw/zinc/99/22/91/372992291.db2.gz ACEJVXCBOLEYJS-UHFFFAOYSA-N 0 1 269.370 2.182 20 5 CEBDMN O=C(NCC(F)(F)F)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000272080235 373295264 /nfs/dbraw/zinc/29/52/64/373295264.db2.gz FPYTYSHMSUGLRE-UHFFFAOYSA-N 0 1 298.167 2.365 20 5 CEBDMN C[C@H]1CC[N@@H+](Cc2c([N+](=O)[O-])ncn2C)CC12CCC2 ZINC000371442888 373882715 /nfs/dbraw/zinc/88/27/15/373882715.db2.gz MBECCLBUPFSTSY-NSHDSACASA-N 0 1 278.356 2.340 20 5 CEBDMN C[C@H]1CCN(Cc2c([N+](=O)[O-])ncn2C)CC12CCC2 ZINC000371442888 373882723 /nfs/dbraw/zinc/88/27/23/373882723.db2.gz MBECCLBUPFSTSY-NSHDSACASA-N 0 1 278.356 2.340 20 5 CEBDMN CCC(C)(C)CNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000277234027 374447374 /nfs/dbraw/zinc/44/73/74/374447374.db2.gz BSPBFOUZECVMKO-UHFFFAOYSA-N 0 1 266.297 2.466 20 5 CEBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCSC[C@@H]1c1cccs1 ZINC000374122764 374492768 /nfs/dbraw/zinc/49/27/68/374492768.db2.gz QXYPAJLMLBVKMM-KXUCPTDWSA-N 0 1 298.389 2.030 20 5 CEBDMN C[C@@H]1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])[C@H](c2ccco2)C1 ZINC000374127918 374494645 /nfs/dbraw/zinc/49/46/45/374494645.db2.gz BPDONKTYHNKKMN-KKOKHZNYSA-N 0 1 278.308 2.244 20 5 CEBDMN COc1ccc([N+](=O)[O-])cc1CN1CCCC[C@H](CO)C1 ZINC000374055903 374476184 /nfs/dbraw/zinc/47/61/84/374476184.db2.gz WMXPQVMJSBUDDZ-LBPRGKRZSA-N 0 1 294.351 2.198 20 5 CEBDMN COC[C@H](N[C@@H](C)c1ccccc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000278889335 374838795 /nfs/dbraw/zinc/83/87/95/374838795.db2.gz XEBAIUZJTWAINV-CORIIIEPSA-N 0 1 294.351 2.439 20 5 CEBDMN Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000377786259 374951744 /nfs/dbraw/zinc/95/17/44/374951744.db2.gz ULSFYFMEDPNTKX-CTHBEMJXSA-N 0 1 288.347 2.365 20 5 CEBDMN Cc1ccc(NC(=O)[C@@H]2C[C@@H]2[N+](=O)[O-])cc1-c1ncco1 ZINC000378164948 375032747 /nfs/dbraw/zinc/03/27/47/375032747.db2.gz BZYJAWHAZWSXAS-NEPJUHHUSA-N 0 1 287.275 2.254 20 5 CEBDMN Cn1cc(CNCCF)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000280616878 375262152 /nfs/dbraw/zinc/26/21/52/375262152.db2.gz FFPCCIKEDSVHPC-UHFFFAOYSA-N 0 1 278.287 2.054 20 5 CEBDMN Cc1[nH]nc(C(=O)N2CC[C@]3(CC[C@H](C)C3)C2)c1[N+](=O)[O-] ZINC000408175360 375423058 /nfs/dbraw/zinc/42/30/58/375423058.db2.gz YLQXCDZBAJXHGF-XPTSAGLGSA-N 0 1 292.339 2.279 20 5 CEBDMN C[C@H]1C[C@@H](N(C)c2ncc([N+](=O)[O-])cc2F)CC[N@H+]1C ZINC000408464799 375488716 /nfs/dbraw/zinc/48/87/16/375488716.db2.gz FTUBZRASCVIVHY-UWVGGRQHSA-N 0 1 282.319 2.048 20 5 CEBDMN CC(C)NC(=O)[C@@H](C)NC/C=C/c1ccccc1[N+](=O)[O-] ZINC000414541742 375844830 /nfs/dbraw/zinc/84/48/30/375844830.db2.gz JNVMNRZXHADXPG-WAFBPQNNSA-N 0 1 291.351 2.111 20 5 CEBDMN C[C@@H]1C[C@@H](O)C[C@H](C)[N@@H+]1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000330447365 377138082 /nfs/dbraw/zinc/13/80/82/377138082.db2.gz FYDSWAWBQNPXPN-DDFAGTSDSA-N 0 1 280.324 2.034 20 5 CEBDMN CCC[C@]1(CO)CCC[N@H+]1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000330465429 377147159 /nfs/dbraw/zinc/14/71/59/377147159.db2.gz VWPGCEVEWVNYKT-OAHLLOKOSA-N 0 1 294.351 2.427 20 5 CEBDMN CO[C@@H]1CN([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C[C@H]1OC ZINC000331098823 377280743 /nfs/dbraw/zinc/28/07/43/377280743.db2.gz DWYCCENDWFDHQB-NILFDRSVSA-N 0 1 294.351 2.310 20 5 CEBDMN CCOCCCN1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088605786 249307270 /nfs/dbraw/zinc/30/72/70/249307270.db2.gz BXHUKALHVPWJQF-UHFFFAOYSA-N 0 1 264.325 2.380 20 5 CEBDMN CC(C)C1(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1 ZINC000293885401 377806905 /nfs/dbraw/zinc/80/69/05/377806905.db2.gz IWFSMNXXXDCQKB-UHFFFAOYSA-N 0 1 264.281 2.219 20 5 CEBDMN CC[C@@H]1CCCC[C@H]1CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000295675537 378260696 /nfs/dbraw/zinc/26/06/96/378260696.db2.gz IDJDARFZSXJULQ-ZJUUUORDSA-N 0 1 280.328 2.264 20 5 CEBDMN C[C@@](O)(CNCc1ccccc1[N+](=O)[O-])c1ccco1 ZINC000266154232 190235276 /nfs/dbraw/zinc/23/52/76/190235276.db2.gz LMUHKIJHOMMKKF-CQSZACIVSA-N 0 1 276.292 2.185 20 5 CEBDMN C[C@@H]1CCCCN1CCNC(=O)c1ccc([N+](=O)[O-])s1 ZINC000298487574 378742422 /nfs/dbraw/zinc/74/24/22/378742422.db2.gz IABIGJYXBSTIRD-SNVBAGLBSA-N 0 1 297.380 2.261 20 5 CEBDMN CCc1[nH]nc(C(=O)N2[C@@H](C)CC[C@@H]2CC)c1[N+](=O)[O-] ZINC000278473012 194001236 /nfs/dbraw/zinc/00/12/36/194001236.db2.gz UEBVQVKGYQASSB-IUCAKERBSA-N 0 1 280.328 2.283 20 5 CEBDMN Cc1[nH]nc(C(=O)N(C)[C@@H]2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000299529245 379032186 /nfs/dbraw/zinc/03/21/86/379032186.db2.gz LHSABGCSXOWNCY-PSASIEDQSA-N 0 1 280.328 2.277 20 5 CEBDMN CC(C)N1C[C@H](N[C@H](C)c2cccc([N+](=O)[O-])c2)CC1=O ZINC000266745086 190278285 /nfs/dbraw/zinc/27/82/85/190278285.db2.gz AMFOLEHGKKAAPQ-DGCLKSJQSA-N 0 1 291.351 2.255 20 5 CEBDMN CC[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])C1CCCC1 ZINC000456668609 379518650 /nfs/dbraw/zinc/51/86/50/379518650.db2.gz VULXBXJGEREUER-VIFPVBQESA-N 0 1 266.301 2.017 20 5 CEBDMN COC[C@H]1CCN(Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000267078228 190301450 /nfs/dbraw/zinc/30/14/50/190301450.db2.gz XETLZOVXAFGLTP-JTQLQIEISA-N 0 1 268.288 2.202 20 5 CEBDMN CCOc1ccc([N+](=O)[O-])cc1CN1CC[C@@H](COC)C1 ZINC000267003265 190296294 /nfs/dbraw/zinc/29/62/94/190296294.db2.gz DQUQEVRFYUFCMA-GFCCVEGCSA-N 0 1 294.351 2.462 20 5 CEBDMN COc1ccc(CN2CCC[C@H](C)[C@H]2CO)cc1[N+](=O)[O-] ZINC000305249083 379696957 /nfs/dbraw/zinc/69/69/57/379696957.db2.gz IRPBTUXIUILYMT-SMDDNHRTSA-N 0 1 294.351 2.196 20 5 CEBDMN C[C@@H]1CCCC[C@@]1(C)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000457235059 379722183 /nfs/dbraw/zinc/72/21/83/379722183.db2.gz BCSCUHMSRACWHR-PRHODGIISA-N 0 1 266.301 2.017 20 5 CEBDMN CCc1[nH]nc(C(=O)N(C)[C@@H](C)C(C)(C)C)c1[N+](=O)[O-] ZINC000555072941 380807262 /nfs/dbraw/zinc/80/72/62/380807262.db2.gz GIMSKRCXMCCACA-QMMMGPOBSA-N 0 1 282.344 2.387 20 5 CEBDMN CCO[C@@H]1C[C@H]1N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000556078719 380867862 /nfs/dbraw/zinc/86/78/62/380867862.db2.gz YEGASPRJQSZJFY-OASPWFOLSA-N 0 1 250.298 2.423 20 5 CEBDMN O=[N+]([O-])c1cc(Cl)cnc1N1CC[C@H](N2CC=CC2)C1 ZINC000153843620 285091764 /nfs/dbraw/zinc/09/17/64/285091764.db2.gz RNWDLEZKSMADJP-NSHDSACASA-N 0 1 294.742 2.094 20 5 CEBDMN C[C@@H](NCC(=O)NC(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000148937175 533345561 /nfs/dbraw/zinc/34/55/61/533345561.db2.gz UCIUZURJCZJGII-SNVBAGLBSA-N 0 1 279.340 2.160 20 5 CEBDMN CO[C@H]1CCN([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000267723397 394683643 /nfs/dbraw/zinc/68/36/43/394683643.db2.gz YXEZWOZUHYNMMS-GWCFXTLKSA-N 0 1 250.298 2.377 20 5 CEBDMN O=C(Nc1ccc([N+](=O)[O-])cc1F)C12CCCN1CCC2 ZINC000415032372 394855986 /nfs/dbraw/zinc/85/59/86/394855986.db2.gz AFVGEXTZJMOSRS-UHFFFAOYSA-N 0 1 293.298 2.301 20 5 CEBDMN O=[N+]([O-])c1cnc(N[C@H]2CCCc3cn[nH]c32)s1 ZINC000282077583 394907481 /nfs/dbraw/zinc/90/74/81/394907481.db2.gz ZPFITTWFLMFOLE-ZETCQYMHSA-N 0 1 265.298 2.264 20 5 CEBDMN Cc1ccc([C@@H]2CCCN(C(=O)[C@H]3CC3[N+](=O)[O-])C2)cc1 ZINC000370801393 395013887 /nfs/dbraw/zinc/01/38/87/395013887.db2.gz KIJPIAFVNAIEBH-QLFBSQMISA-N 0 1 288.347 2.366 20 5 CEBDMN C[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])c1ccccc1Cl ZINC000158810717 395054616 /nfs/dbraw/zinc/05/46/16/395054616.db2.gz IWMGVWTUDIHOPS-SSDOTTSWSA-N 0 1 294.698 2.462 20 5 CEBDMN CCn1cncc1C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000418037514 395178313 /nfs/dbraw/zinc/17/83/13/395178313.db2.gz DJDAHVNLVNJZDM-UHFFFAOYSA-N 0 1 288.351 2.486 20 5 CEBDMN CCn1cncc1CN(C)CCc1cccc([N+](=O)[O-])c1 ZINC000418037514 395178318 /nfs/dbraw/zinc/17/83/18/395178318.db2.gz DJDAHVNLVNJZDM-UHFFFAOYSA-N 0 1 288.351 2.486 20 5 CEBDMN NC1(c2noc(/C=C\c3ccc([N+](=O)[O-])cc3)n2)CCC1 ZINC000573090181 395599861 /nfs/dbraw/zinc/59/98/61/395599861.db2.gz UCAPJXHXONOSLV-DAXSKMNVSA-N 0 1 286.291 2.486 20 5 CEBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@H](F)C1 ZINC000451197781 395592731 /nfs/dbraw/zinc/59/27/31/395592731.db2.gz OJIGJROXQDDKMP-NSHDSACASA-N 0 1 295.314 2.276 20 5 CEBDMN C[C@@H]1CN(C)CCN1c1nccc2cc([N+](=O)[O-])ccc21 ZINC000572930802 395594084 /nfs/dbraw/zinc/59/40/84/395594084.db2.gz VGIICKPYQGKDCM-LLVKDONJSA-N 0 1 286.335 2.283 20 5 CEBDMN CCc1[nH]nc(C(=O)N(CC)[C@H](C)C(C)C)c1[N+](=O)[O-] ZINC000574649418 395634324 /nfs/dbraw/zinc/63/43/24/395634324.db2.gz WSVJMSBGMVKFAN-SECBINFHSA-N 0 1 282.344 2.387 20 5 CEBDMN C[C@@H]1C[C@H](c2ccccc2)[C@H](C)N1C(=O)[C@H]1CC1[N+](=O)[O-] ZINC000360538188 155321785 /nfs/dbraw/zinc/32/17/85/155321785.db2.gz JBHZUYHWNJFNKU-GCPZOVCVSA-N 0 1 288.347 2.445 20 5 CEBDMN COc1ccc([N+](=O)[O-])cc1CN(C)[C@@H](CO)CC(C)C ZINC000185344509 286383979 /nfs/dbraw/zinc/38/39/79/286383979.db2.gz HNEOSASKENRYJV-CQSZACIVSA-N 0 1 296.367 2.442 20 5 CEBDMN C[C@@H](C[N@@H+](C)CCCOc1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000263345342 154060698 /nfs/dbraw/zinc/06/06/98/154060698.db2.gz OLXJNQUNRSFEKE-NSHDSACASA-N 0 1 296.323 2.016 20 5 CEBDMN C[C@@H](O)CCCN(C)Cc1ccccc1[N+](=O)[O-] ZINC000354871200 154361197 /nfs/dbraw/zinc/36/11/97/154361197.db2.gz MCMCRJIZIUUPGL-LLVKDONJSA-N 0 1 252.314 2.188 20 5 CEBDMN O=[N+]([O-])c1ccccc1CN1CC([C@H]2CCOC2)C1 ZINC000376020464 157176774 /nfs/dbraw/zinc/17/67/74/157176774.db2.gz GIGYOQIMMDSUIK-LBPRGKRZSA-N 0 1 262.309 2.063 20 5 CEBDMN Cc1ccc(C(=O)Nc2ccc3[nH]nnc3c2)cc1[N+](=O)[O-] ZINC000176712074 165169717 /nfs/dbraw/zinc/16/97/17/165169717.db2.gz IKTZWCSQPGTEIP-UHFFFAOYSA-N 0 1 297.274 2.427 20 5 CEBDMN Cc1c(CN(C)CCc2ccccc2[N+](=O)[O-])cnn1C ZINC000285333980 196253589 /nfs/dbraw/zinc/25/35/89/196253589.db2.gz OCJRULLFQAWEQY-UHFFFAOYSA-N 0 1 288.351 2.311 20 5 CEBDMN Cc1c(C[N@H+](C)C[C@H](C)C(=O)[O-])cccc1[N+](=O)[O-] ZINC000042707475 174849963 /nfs/dbraw/zinc/84/99/63/174849963.db2.gz KWACKDURGARLCY-VIFPVBQESA-N 0 1 266.297 2.056 20 5 CEBDMN O=[N+]([O-])c1ccc(NCc2nnc[nH]2)c(Br)c1 ZINC000043600932 175077724 /nfs/dbraw/zinc/07/77/24/175077724.db2.gz QAFPISAFVWDENR-UHFFFAOYSA-N 0 1 298.100 2.088 20 5 CEBDMN CC[C@@H]1c2ccsc2CCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000044400664 287378858 /nfs/dbraw/zinc/37/88/58/287378858.db2.gz BLFIATVZVGXTOD-MXWKQRLJSA-N 0 1 280.349 2.249 20 5 CEBDMN CC[C@@H]1CN(C)CCN1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000518172479 260348369 /nfs/dbraw/zinc/34/83/69/260348369.db2.gz RNDSNQAOFHDFDF-SNVBAGLBSA-N 0 1 299.321 2.399 20 5 CEBDMN CC(C)COC[C@H](O)CN(C)Cc1ccccc1[N+](=O)[O-] ZINC000192707835 270279651 /nfs/dbraw/zinc/27/96/51/270279651.db2.gz YHFBENWXNRWPKH-CQSZACIVSA-N 0 1 296.367 2.060 20 5 CEBDMN C[C@@H]1CC[C@H](C(=O)[O-])C[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000397479669 270354289 /nfs/dbraw/zinc/35/42/89/270354289.db2.gz CXMTYOLXWHTSTM-PWSUYJOCSA-N 0 1 278.308 2.280 20 5 CEBDMN [NH3+]C1(c2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)CCCCC1 ZINC000424340800 271049834 /nfs/dbraw/zinc/04/98/34/271049834.db2.gz HUWVFCLLKRYOBF-UHFFFAOYSA-N 0 1 277.284 2.091 20 5 CEBDMN Cc1ccc(C[NH2+]Cc2cc(C(=O)[O-])co2)cc1[N+](=O)[O-] ZINC000426716715 271230696 /nfs/dbraw/zinc/23/06/96/271230696.db2.gz XLUUCXQBQJFXKL-UHFFFAOYSA-N 0 1 290.275 2.484 20 5 CEBDMN CC(C)c1[nH]nc(C(=O)N2CC3(C2)CCCC3)c1[N+](=O)[O-] ZINC000428451068 271269302 /nfs/dbraw/zinc/26/93/02/271269302.db2.gz XVESYGUHVQNYRZ-UHFFFAOYSA-N 0 1 292.339 2.458 20 5 CEBDMN COc1cc([N+](=O)[O-])ccc1CN1CCCC[C@H]1[C@H](C)O ZINC000430219848 271363061 /nfs/dbraw/zinc/36/30/61/271363061.db2.gz NZZDXMDQTAKUKU-FZMZJTMJSA-N 0 1 294.351 2.339 20 5 CEBDMN COC[C@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000430245048 271366908 /nfs/dbraw/zinc/36/69/08/271366908.db2.gz ZTCGDJZETTWNLE-LBPRGKRZSA-N 0 1 294.351 2.462 20 5 CEBDMN CN(C)C(=O)CCN(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000441247243 271797619 /nfs/dbraw/zinc/79/76/19/271797619.db2.gz JXZLVGHYGSRKOO-UHFFFAOYSA-N 0 1 291.351 2.038 20 5 CEBDMN O=[N+]([O-])c1ccc2c(c1NCCN1CC=CCC1)CCN2 ZINC000280356726 275038629 /nfs/dbraw/zinc/03/86/29/275038629.db2.gz XCHATKGRCXBDCN-UHFFFAOYSA-N 0 1 288.351 2.237 20 5 CEBDMN C[C@@H]1CN(Cc2cc(O)ccc2[N+](=O)[O-])[C@H](C)[C@H](C)O1 ZINC000339112771 288211476 /nfs/dbraw/zinc/21/14/76/288211476.db2.gz TVDRYMZGWOLAQF-MXWKQRLJSA-N 0 1 280.324 2.298 20 5 CEBDMN Cc1cc(N2C[C@@H](C)[C@H](O)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000340790298 280583926 /nfs/dbraw/zinc/58/39/26/280583926.db2.gz XQKRMMNYPMJLHE-RFAUZJTJSA-N 0 1 287.319 2.268 20 5 CEBDMN COc1cc(CN2[C@H](C)CC(O)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000429312127 281233181 /nfs/dbraw/zinc/23/31/81/281233181.db2.gz OBBGGJHQECOFIQ-GHMZBOCLSA-N 0 1 294.351 2.337 20 5 CEBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC(O)CC1 ZINC000272342970 301865962 /nfs/dbraw/zinc/86/59/62/301865962.db2.gz PDBIIOGUTSCDQV-LLVKDONJSA-N 0 1 264.325 2.421 20 5 CEBDMN Cn1cc(C(C)(C)NCc2ccc([N+](=O)[O-])cc2)cn1 ZINC000545292455 313485689 /nfs/dbraw/zinc/48/56/89/313485689.db2.gz BCJQEGAWHHLGII-UHFFFAOYSA-N 0 1 274.324 2.353 20 5 CEBDMN O=[N+]([O-])c1cccc(CN2CC[C@H](O)CC23CCC3)c1 ZINC000571192861 314076946 /nfs/dbraw/zinc/07/69/46/314076946.db2.gz UQJXHIFEWLOYOX-AWEZNQCLSA-N 0 1 276.336 2.474 20 5 CEBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@H](C)C(=O)NC(C)C ZINC000576128802 314245843 /nfs/dbraw/zinc/24/58/43/314245843.db2.gz DJVFKBQFIVRAHG-NWDGAFQWSA-N 0 1 293.367 2.467 20 5 CEBDMN C[C@@H](c1nc(C2(N)CCC2)no1)c1cccc([N+](=O)[O-])c1 ZINC000581190155 322376509 /nfs/dbraw/zinc/37/65/09/322376509.db2.gz KEVVITFCSYCXPX-SECBINFHSA-N 0 1 288.307 2.468 20 5 CEBDMN C[C@H]1CC[C@@H](C(=O)[O-])C[N@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000396960998 329318723 /nfs/dbraw/zinc/31/87/23/329318723.db2.gz BSXHZGYYCVRRMW-GXSJLCMTSA-N 0 1 296.298 2.419 20 5 CEBDMN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1ccn[nH]1 ZINC000056288694 519655619 /nfs/dbraw/zinc/65/56/19/519655619.db2.gz IDUYXYRWYIPCIP-UHFFFAOYSA-N 0 1 288.307 2.369 20 5 CEBDMN Cc1nc([C@H](C)N(C)Cc2ccccc2[N+](=O)[O-])n[nH]1 ZINC000411135279 534589914 /nfs/dbraw/zinc/58/99/14/534589914.db2.gz QDUPXPSFAWKDEV-VIFPVBQESA-N 0 1 275.312 2.214 20 5 CEBDMN CC[C@H](C)N(C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000068449936 523914786 /nfs/dbraw/zinc/91/47/86/523914786.db2.gz MVWCYYQFYGJDBF-JTQLQIEISA-N 0 1 265.313 2.264 20 5 CEBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@@H]1/C=C/c1cccs1 ZINC000364941715 526500258 /nfs/dbraw/zinc/50/02/58/526500258.db2.gz LLSQJMZTHQPNJP-BJEXPOHKSA-N 0 1 292.360 2.418 20 5 CEBDMN CCc1cc(CNC(=O)c2cc([N+](=O)[O-])c(C)s2)n[nH]1 ZINC000732790290 574630118 /nfs/dbraw/zinc/63/01/18/574630118.db2.gz HSIHICOJGWQDKZ-UHFFFAOYSA-N 0 1 294.336 2.180 20 5 CEBDMN O=C(OCCOc1ccccc1F)c1ccc([N+](=O)[O-])[nH]1 ZINC000734734554 574728454 /nfs/dbraw/zinc/72/84/54/574728454.db2.gz BSBFSHQTDXGMLR-UHFFFAOYSA-N 0 1 294.238 2.298 20 5 CEBDMN CO[C@@]1(C)C[C@H](OC(=O)c2ccc([N+](=O)[O-])[nH]2)C1(C)C ZINC000747330243 575169486 /nfs/dbraw/zinc/16/94/86/575169486.db2.gz MSWBUKQMYXDOGN-ZANVPECISA-N 0 1 282.296 2.283 20 5 CEBDMN CN(C[C@@H](O)c1cccc([N+](=O)[O-])c1)C[C@H]1CCCCO1 ZINC000750041104 575244770 /nfs/dbraw/zinc/24/47/70/575244770.db2.gz RLODYRNMEOBTSI-HUUCEWRRSA-N 0 1 294.351 2.129 20 5 CEBDMN C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@](F)(C(=O)[O-])C1 ZINC000827949734 601442502 /nfs/dbraw/zinc/44/25/02/601442502.db2.gz OETKTHWAZNMUAH-ZANVPECISA-N 0 1 282.271 2.154 20 5 CEBDMN C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@](F)(C(=O)[O-])C1 ZINC000827949734 601442504 /nfs/dbraw/zinc/44/25/04/601442504.db2.gz OETKTHWAZNMUAH-ZANVPECISA-N 0 1 282.271 2.154 20 5 CEBDMN O=C([O-])c1occc1C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000236476025 605078304 /nfs/dbraw/zinc/07/83/04/605078304.db2.gz PISNGXFMNISTJW-UHFFFAOYSA-N 0 1 276.248 2.176 20 5 CEBDMN CO[C@H]1CC[C@@H]1N(C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000934122423 624244426 /nfs/dbraw/zinc/24/44/26/624244426.db2.gz TVVBAFIHCQKRBA-AAEUAGOBSA-N 0 1 291.307 2.345 20 5 CEBDMN C[C@@H](O)CN(C)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000051819816 624602637 /nfs/dbraw/zinc/60/26/37/624602637.db2.gz OTUXZARZUKWEDL-MRVPVSSYSA-N 0 1 258.705 2.061 20 5 CEBDMN C[C@@H](C(=O)[O-])[N@@H+](C)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000901979081 634402152 /nfs/dbraw/zinc/40/21/52/634402152.db2.gz FMYFFPYWXKBFNV-ZETCQYMHSA-N 0 1 272.688 2.153 20 5 CEBDMN COC(=O)CC(C)(C)NCc1c(F)cccc1[N+](=O)[O-] ZINC000177920857 625913399 /nfs/dbraw/zinc/91/33/99/625913399.db2.gz AWMHEWZZJFPCGJ-UHFFFAOYSA-N 0 1 284.287 2.165 20 5 CEBDMN O=C(NC1(Cc2ccccc2)CCCC1)[C@@H]1CC1[N+](=O)[O-] ZINC000840420113 634650704 /nfs/dbraw/zinc/65/07/04/634650704.db2.gz XUDYSJFEDWWRRP-ZIAGYGMSSA-N 0 1 288.347 2.323 20 5 CEBDMN CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])[C@H](C)Cc1ccsc1 ZINC000840426293 634654943 /nfs/dbraw/zinc/65/49/43/634654943.db2.gz MAMNWPFYLCGSSJ-YUSALJHKSA-N 0 1 282.365 2.193 20 5 CEBDMN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C(C)(C)c1ccccc1 ZINC000840445998 634668437 /nfs/dbraw/zinc/66/84/37/634668437.db2.gz NKCDLXFNAHRAGM-VXGBXAGGSA-N 0 1 262.309 2.045 20 5 CEBDMN Cc1nc([C@H]2CCN(Cc3ccccc3[N+](=O)[O-])C2)no1 ZINC000931943214 628930839 /nfs/dbraw/zinc/93/08/39/628930839.db2.gz YNMGIBRBKANLEZ-LBPRGKRZSA-N 0 1 288.307 2.276 20 5 CEBDMN C[C@H](CCOCc1ccccc1)OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000893704061 628949062 /nfs/dbraw/zinc/94/90/62/628949062.db2.gz YARMGWSGBVYFJB-MRVWCRGKSA-N 0 1 293.319 2.190 20 5 CEBDMN CC(C)NC(=O)[C@H](C)NCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000840975020 628976872 /nfs/dbraw/zinc/97/68/72/628976872.db2.gz RZNOKAPPJZJXBA-VIFPVBQESA-N 0 1 299.758 2.251 20 5 CEBDMN C[C@@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccc(F)cc1F ZINC000840672624 629312649 /nfs/dbraw/zinc/31/26/49/629312649.db2.gz KERBBDDAQXUOMX-KNBVPPQFSA-N 0 1 271.219 2.234 20 5 CEBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840672990 629347825 /nfs/dbraw/zinc/34/78/25/629347825.db2.gz HCMRZPJRROLCAS-GGZOMVNGSA-N 0 1 294.263 2.173 20 5 CEBDMN CCOc1ccc2nc(SCC[N+](=O)[O-])[nH]c2c1 ZINC000901373811 634079072 /nfs/dbraw/zinc/07/90/72/634079072.db2.gz RRHBMZCOFZJFPW-UHFFFAOYSA-N 0 1 267.310 2.330 20 5 CEBDMN Cc1ccoc1CNC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819330011 634142735 /nfs/dbraw/zinc/14/27/35/634142735.db2.gz YKYDIQZAUWGTJX-ZDUSSCGKSA-N 0 1 276.292 2.319 20 5 CEBDMN Cc1ccc(NS(=O)(=O)CC2(F)CC2)cc1[N+](=O)[O-] ZINC000903615576 635180585 /nfs/dbraw/zinc/18/05/85/635180585.db2.gz DESUEYBZAYGGJU-UHFFFAOYSA-N 0 1 288.300 2.147 20 5 CEBDMN CC[C@@H](C)[C@H](C(=O)[O-])[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000903962575 635371669 /nfs/dbraw/zinc/37/16/69/635371669.db2.gz JMKMSSANBMJWRP-QMTHXVAHSA-N 0 1 292.335 2.452 20 5 CEBDMN C[C@@H](NCc1cnc(N)s1)c1ccc([N+](=O)[O-])cc1 ZINC000903988220 635406465 /nfs/dbraw/zinc/40/64/65/635406465.db2.gz PDUHKSHOIDEPDN-MRVPVSSYSA-N 0 1 278.337 2.484 20 5 CEBDMN COC(=O)[C@H]1C[C@@H](NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000827501512 636338797 /nfs/dbraw/zinc/33/87/97/636338797.db2.gz WZIUPMCFPVQONM-WAAGHKOSSA-N 0 1 298.726 2.289 20 5 CEBDMN CO[C@@H](C)CCC(=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837628113 639315688 /nfs/dbraw/zinc/31/56/88/639315688.db2.gz PWLKBFCUTDWOAH-VIFPVBQESA-N 0 1 283.280 2.159 20 5 CEBDMN Cc1nc(C(F)(F)F)ccc1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000841222691 639711697 /nfs/dbraw/zinc/71/16/97/639711697.db2.gz INCJDQHQKLQXPG-HTRCEHHLSA-N 0 1 289.213 2.013 20 5 CEBDMN O=C(O[C@H](c1ccccc1)C(F)F)[C@@H]1CC1[N+](=O)[O-] ZINC000841240945 639716192 /nfs/dbraw/zinc/71/61/92/639716192.db2.gz XOOLXASLMXIKMH-OPRDCNLKSA-N 0 1 271.219 2.201 20 5 CEBDMN COc1cccc(COC(=O)c2ccc([N+](=O)[O-])[nH]2)c1 ZINC000918492744 640964569 /nfs/dbraw/zinc/96/45/69/640964569.db2.gz PSXFMLGAJKHAAT-UHFFFAOYSA-N 0 1 276.248 2.289 20 5 CEBDMN CCOc1ccc(COC(=O)[C@@H]2CC2[N+](=O)[O-])c(C)c1 ZINC000847117871 641574760 /nfs/dbraw/zinc/57/47/60/641574760.db2.gz WCMYJELUXKLQFJ-CHWSQXEVSA-N 0 1 279.292 2.102 20 5 CEBDMN O=C([O-])[C@@H]1CCCCC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000080991737 641824704 /nfs/dbraw/zinc/82/47/04/641824704.db2.gz WYCKCAVFJKXZKY-ZDUSSCGKSA-N 0 1 278.308 2.424 20 5 CEBDMN O=C([O-])[C@H]1CCCCC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000080991736 641825189 /nfs/dbraw/zinc/82/51/89/641825189.db2.gz WYCKCAVFJKXZKY-CYBMUJFWSA-N 0 1 278.308 2.424 20 5 CEBDMN O=[N+]([O-])c1ccc(CNCc2cnn(CCF)c2)cc1 ZINC000921564771 642244765 /nfs/dbraw/zinc/24/47/65/642244765.db2.gz YDGUIGFTHVGFSS-UHFFFAOYSA-N 0 1 278.287 2.051 20 5 CEBDMN CCc1nc([C@@H](C)OC(=O)c2ccc([N+](=O)[O-])s2)n[nH]1 ZINC000849622839 642371267 /nfs/dbraw/zinc/37/12/67/642371267.db2.gz AJNOISIYIZXEGI-ZCFIWIBFSA-N 0 1 296.308 2.255 20 5 CEBDMN O=C(Cc1cccc([N+](=O)[O-])c1)NOc1ccccc1 ZINC000773465441 642740440 /nfs/dbraw/zinc/74/04/40/642740440.db2.gz DVKPLBCPJRMVMI-UHFFFAOYSA-N 0 1 272.260 2.248 20 5 CEBDMN C[C@H](NC1CC(n2cc([N+](=O)[O-])cn2)C1)c1cscn1 ZINC000877625415 650819455 /nfs/dbraw/zinc/81/94/55/650819455.db2.gz NRVTYCSGQXAWSN-IDKOKCKLSA-N 0 1 293.352 2.302 20 5 CEBDMN CC(C)(NC[C@H]1CCC(=O)O1)c1ccccc1[N+](=O)[O-] ZINC000852078445 643290924 /nfs/dbraw/zinc/29/09/24/643290924.db2.gz PYZKJDIUYMCOSS-SNVBAGLBSA-N 0 1 278.308 2.125 20 5 CEBDMN CN(CC1CN(C)C1)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000853824785 643910971 /nfs/dbraw/zinc/91/09/71/643910971.db2.gz QOYUFAGBMWIAAW-UHFFFAOYSA-N 0 1 286.335 2.141 20 5 CEBDMN Cc1cc(-c2noc(CNC(C)C)n2)cc([N+](=O)[O-])c1 ZINC000854161183 644001358 /nfs/dbraw/zinc/00/13/58/644001358.db2.gz QUQCUHVZXNRCBJ-UHFFFAOYSA-N 0 1 276.296 2.451 20 5 CEBDMN Cc1ccc([C@H](C)N(C)C(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC000839508922 644245362 /nfs/dbraw/zinc/24/53/62/644245362.db2.gz LSAKKNSSCNYRAV-CYZMBNFOSA-N 0 1 262.309 2.180 20 5 CEBDMN Cc1ccc([C@@H](C)N(C)C(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC000839508923 644245592 /nfs/dbraw/zinc/24/55/92/644245592.db2.gz LSAKKNSSCNYRAV-RAIGVLPGSA-N 0 1 262.309 2.180 20 5 CEBDMN Cc1ccc(C)c([C@H](C)N(C)C(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC000839511007 644245652 /nfs/dbraw/zinc/24/56/52/644245652.db2.gz RKZRZIZJYUXOIK-IACUBPJLSA-N 0 1 276.336 2.488 20 5 CEBDMN CC(C)N(C)c1ccc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1F ZINC000839553673 644739635 /nfs/dbraw/zinc/73/96/35/644739635.db2.gz QTJFWDTYHQCSKP-ZWNOBZJWSA-N 0 1 295.314 2.274 20 5 CEBDMN CC[C@H](C)[C@@H]1CCCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839698541 644777270 /nfs/dbraw/zinc/77/72/70/644777270.db2.gz PSJRTGMVNZXZOB-WHOHXGKFSA-N 0 1 254.330 2.079 20 5 CEBDMN C[C@H]1CCc2c(F)cccc2[C@@H]1NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839701335 644778237 /nfs/dbraw/zinc/77/82/37/644778237.db2.gz OWNRGLJIMNBQID-UBVLEBKSSA-N 0 1 292.310 2.231 20 5 CEBDMN O=C([C@@H]1CC1[N+](=O)[O-])N(Cc1c(F)cccc1F)C1CC1 ZINC000839732870 644785519 /nfs/dbraw/zinc/78/55/19/644785519.db2.gz FMGHKIDNYSHEBQ-NOZJJQNGSA-N 0 1 296.273 2.121 20 5 CEBDMN CCCOc1ccc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 ZINC000839716706 644790587 /nfs/dbraw/zinc/79/05/87/644790587.db2.gz FVROZRXOLPPRHN-VXGBXAGGSA-N 0 1 264.281 2.079 20 5 CEBDMN Cc1ccc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1OC(C)C ZINC000839746345 644803696 /nfs/dbraw/zinc/80/36/96/644803696.db2.gz WCALVZIFEGQJNG-VXGBXAGGSA-N 0 1 278.308 2.386 20 5 CEBDMN O=C(NCCc1cc2ccccc2s1)[C@@H]1CC1[N+](=O)[O-] ZINC000839779183 644814005 /nfs/dbraw/zinc/81/40/05/644814005.db2.gz VEXFPGJFDHZDCT-VXGBXAGGSA-N 0 1 290.344 2.225 20 5 CEBDMN O=C(N[C@H]1CCCC[C@H]1CC(F)(F)F)[C@@H]1CC1[N+](=O)[O-] ZINC000839783431 644816176 /nfs/dbraw/zinc/81/61/76/644816176.db2.gz GZMNSENPKBXDEQ-QCLAVDOMSA-N 0 1 294.273 2.279 20 5 CEBDMN Cc1ccc(CNC2COC(C)(C)OC2)cc1[N+](=O)[O-] ZINC000758010609 644871791 /nfs/dbraw/zinc/87/17/91/644871791.db2.gz QIKUIHLATQPCMX-UHFFFAOYSA-N 0 1 280.324 2.144 20 5 CEBDMN CC[C@H](N[C@H](C)C(=O)N(C)OC)c1cccc([N+](=O)[O-])c1 ZINC000858586986 645213465 /nfs/dbraw/zinc/21/34/65/645213465.db2.gz MITXJCNHLIGHQS-MFKMUULPSA-N 0 1 295.339 2.044 20 5 CEBDMN CCO[C@@H]1C[C@@H](OC(=O)c2ccc([N+](=O)[O-])[nH]2)C12CCC2 ZINC000763585497 645559234 /nfs/dbraw/zinc/55/92/34/645559234.db2.gz QQBFMDQHTIQWGE-GHMZBOCLSA-N 0 1 294.307 2.427 20 5 CEBDMN C[S@@](=O)CCCNCc1cc([N+](=O)[O-])ccc1Cl ZINC000116920000 645574484 /nfs/dbraw/zinc/57/44/84/645574484.db2.gz DYWBFCCCNOQVPL-SFHVURJKSA-N 0 1 290.772 2.106 20 5 CEBDMN COc1ccc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1SC ZINC000839800780 646296457 /nfs/dbraw/zinc/29/64/57/646296457.db2.gz WIHFZZMDRNSSKS-RKDXNWHRSA-N 0 1 282.321 2.021 20 5 CEBDMN O=[N+]([O-])c1ccc(Cl)c(CNCC2(CO)CC2)c1 ZINC000118907160 646416290 /nfs/dbraw/zinc/41/62/90/646416290.db2.gz BLLFWIVTSSZIIO-UHFFFAOYSA-N 0 1 270.716 2.110 20 5 CEBDMN C[C@@H]1CN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)CCS1 ZINC000776581750 647073928 /nfs/dbraw/zinc/07/39/28/647073928.db2.gz LQSCDFRQKPYJJT-MFKMUULPSA-N 0 1 282.365 2.066 20 5 CEBDMN Cc1[nH]nc(C(=O)N2CC=C(c3ccccc3)C2)c1[N+](=O)[O-] ZINC000777778549 647173109 /nfs/dbraw/zinc/17/31/09/647173109.db2.gz OKKPJNPAOWRMDH-UHFFFAOYSA-N 0 1 298.302 2.166 20 5 CEBDMN CC[C@H]1C[C@@H](OC(=O)c2ccc([N+](=O)[O-])[nH]2)CCO1 ZINC000779302957 647308916 /nfs/dbraw/zinc/30/89/16/647308916.db2.gz MWHQYCRSKVYLMM-IUCAKERBSA-N 0 1 268.269 2.037 20 5 CEBDMN CSCC[C@H](C)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000780531710 647440235 /nfs/dbraw/zinc/44/02/35/647440235.db2.gz GIGMKBXXZLSQHR-QMMMGPOBSA-N 0 1 284.337 2.172 20 5 CEBDMN COc1cc(F)c([N+](=O)[O-])c(N2CCN(C)C(C)(C)C2)c1 ZINC000865914739 647534109 /nfs/dbraw/zinc/53/41/09/647534109.db2.gz WJRWEZFSURXUAI-UHFFFAOYSA-N 0 1 297.330 2.273 20 5 CEBDMN CCc1cc(CNc2ncnc3ccc([N+](=O)[O-])cc32)n[nH]1 ZINC000782141548 647592158 /nfs/dbraw/zinc/59/21/58/647592158.db2.gz JJSBSYDUQQCCQI-UHFFFAOYSA-N 0 1 298.306 2.436 20 5 CEBDMN Cc1ccc(N2C[C@H](C)N(C)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000785837769 647962099 /nfs/dbraw/zinc/96/20/99/647962099.db2.gz SLYJMJULHGJZQB-RYUDHWBXSA-N 0 1 263.341 2.432 20 5 CEBDMN CC[C@@H](CO)N[C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872017270 649241750 /nfs/dbraw/zinc/24/17/50/649241750.db2.gz YAZVFJRXDNHTAE-BDAKNGLRSA-N 0 1 256.277 2.155 20 5 CEBDMN COC[C@@H](CN[C@@H](C)c1c(F)cccc1[N+](=O)[O-])OC ZINC000872059228 649257817 /nfs/dbraw/zinc/25/78/17/649257817.db2.gz BPOAWGCZMTYZHO-VHSXEESVSA-N 0 1 286.303 2.046 20 5 CEBDMN C[C@@H](N[C@H]1C[C@@](C)(O)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872081543 649266562 /nfs/dbraw/zinc/26/65/62/649266562.db2.gz ZHWADRKKOCZMGV-KKFJDGPESA-N 0 1 268.288 2.298 20 5 CEBDMN O=[N+]([O-])c1ccc([O-])cc1C[NH+]1CCC(F)CC1 ZINC000880238665 651406721 /nfs/dbraw/zinc/40/67/21/651406721.db2.gz KMTGCJDGQKNXBB-UHFFFAOYSA-N 0 1 254.261 2.234 20 5 CEBDMN CCN1CC[C@@H]1CNc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000882960947 652292871 /nfs/dbraw/zinc/29/28/71/652292871.db2.gz ZZDSZXYMSFPNBD-SECBINFHSA-N 0 1 283.303 2.249 20 5 CEBDMN Cc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H](C)N[C@@H](C)C2)c1C ZINC000884030034 652641105 /nfs/dbraw/zinc/64/11/05/652641105.db2.gz DHUKJGDZBXVTKT-QWRGUYRKSA-N 0 1 291.351 2.034 20 5 CEBDMN C[S@@](=O)CCCNCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000134913690 652887474 /nfs/dbraw/zinc/88/74/74/652887474.db2.gz HNRZVIANLFYXBL-SFHVURJKSA-N 0 1 290.772 2.106 20 5 CEBDMN C[C@H](Oc1cc(O)ccc1[N+](=O)[O-])c1ncccn1 ZINC001225488865 804885777 /nfs/dbraw/zinc/88/57/77/804885777.db2.gz MOZUTTKSUNAYHG-QMMMGPOBSA-N 0 1 261.237 2.230 20 5 CEBDMN O=[N+]([O-])C[C@H]1CC[C@H](NC2(c3ccc(F)cc3)COC2)C1 ZINC001168990412 811340109 /nfs/dbraw/zinc/34/01/09/811340109.db2.gz CMACNKVUKOQGMK-FZMZJTMJSA-N 0 1 294.326 2.086 20 5 CEBDMN CC(=O)NC1(C)CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001045339002 811595585 /nfs/dbraw/zinc/59/55/85/811595585.db2.gz SWUZSXNSKNENBZ-UHFFFAOYSA-N 0 1 291.351 2.085 20 5 CEBDMN CN(Cc1cc(F)ccc1[N+](=O)[O-])C[C@@H]1CCC[C@@H]1O ZINC000689351302 812327434 /nfs/dbraw/zinc/32/74/34/812327434.db2.gz WEVFPRSDWQALNU-HZMBPMFUSA-N 0 1 282.315 2.327 20 5 CEBDMN O=[N+]([O-])c1ccc([C@@H](O)CNCc2ccco2)cc1 ZINC000106102004 813121347 /nfs/dbraw/zinc/12/13/47/813121347.db2.gz LAOSNDQCLLFUOX-ZDUSSCGKSA-N 0 1 262.265 2.011 20 5 CEBDMN O=C(NCc1cnc[nH]1)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC001136880707 813783339 /nfs/dbraw/zinc/78/33/39/813783339.db2.gz ZULAKXRSSITTKT-UHFFFAOYSA-N 0 1 298.661 2.040 20 5 CEBDMN COc1ccc([N+](=O)[O-])c(C[C@@H](C)NC2(C)COC2)c1F ZINC001173176433 815616999 /nfs/dbraw/zinc/61/69/99/815616999.db2.gz HCNIYGZNKDEROG-SECBINFHSA-N 0 1 298.314 2.052 20 5 CEBDMN CCOc1cccc(NC[C@H]2CCN2C)c1[N+](=O)[O-] ZINC000712547269 814765436 /nfs/dbraw/zinc/76/54/36/814765436.db2.gz HJOWEJAKEUUCEL-SNVBAGLBSA-N 0 1 265.313 2.110 20 5 CEBDMN Cc1ccc(C[N@@H+]2CC[C@@H](C(=O)[O-])[C@H]2C)cc1[N+](=O)[O-] ZINC000714012519 814882374 /nfs/dbraw/zinc/88/23/74/814882374.db2.gz GOIFBBFVMOPUDK-ZYHUDNBSSA-N 0 1 278.308 2.198 20 5 CEBDMN C[C@H](Cc1ccc([N+](=O)[O-])cc1)NCc1ccon1 ZINC001173212566 815635177 /nfs/dbraw/zinc/63/51/77/815635177.db2.gz AYGZAMNRFKMALK-SNVBAGLBSA-N 0 1 261.281 2.304 20 5 CEBDMN CCOc1cc(C[N@@H+](C)C[C@H](C)C(=O)[O-])ccc1[N+](=O)[O-] ZINC000567595896 299064743 /nfs/dbraw/zinc/06/47/43/299064743.db2.gz RTYJTQOCYDWJER-JTQLQIEISA-N 0 1 296.323 2.146 20 5 CEBDMN O=[N+]([O-])c1ccccc1/C=C\CN1CCC[C@@H](O)C1 ZINC000033394661 361778280 /nfs/dbraw/zinc/77/82/80/361778280.db2.gz ZPHKJRKWWFKLKH-ACVFHECNSA-N 0 1 262.309 2.065 20 5 CEBDMN Cc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc3[nH]nnc3c2)c1 ZINC000337763845 214251394 /nfs/dbraw/zinc/25/13/94/214251394.db2.gz YCNMAUQETCFUBB-UHFFFAOYSA-N 0 1 297.274 2.427 20 5 CEBDMN CC[C@H](C)[N@@H+](CC(=O)[O-])Cc1ccccc1[N+](=O)[O-] ZINC000037598753 343429028 /nfs/dbraw/zinc/42/90/28/343429028.db2.gz IBDLJUJVDQTAFT-JTQLQIEISA-N 0 1 266.297 2.280 20 5 CEBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(Cc2ccccc2)CC1 ZINC000044260908 343469021 /nfs/dbraw/zinc/46/90/21/343469021.db2.gz WGYZRJXEYKFUQB-CABCVRRESA-N 0 1 288.347 2.133 20 5 CEBDMN Cc1nccc(-c2cccc(NC(=O)[C@H]3C[C@H]3[N+](=O)[O-])c2)n1 ZINC000044499967 343473246 /nfs/dbraw/zinc/47/32/46/343473246.db2.gz YFHLPCOIKLXZOE-GXTWGEPZSA-N 0 1 298.302 2.056 20 5 CEBDMN CC(C)CCN(C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000049237422 343536180 /nfs/dbraw/zinc/53/61/80/343536180.db2.gz DAWGKNUDBZBWIB-UHFFFAOYSA-N 0 1 279.340 2.172 20 5 CEBDMN CCCc1[nH]nc(C(=O)N2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000068282858 343760237 /nfs/dbraw/zinc/76/02/37/343760237.db2.gz VPJCVCOILHPWOU-SECBINFHSA-N 0 1 280.328 2.143 20 5 CEBDMN COCC[C@H](C)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088606495 344112532 /nfs/dbraw/zinc/11/25/32/344112532.db2.gz UDMOASULOODFMC-NSHDSACASA-N 0 1 264.325 2.378 20 5 CEBDMN O=[N+]([O-])c1ccc(NC[C@H]2CN3CCCC[C@@H]3CO2)cc1 ZINC000090146233 344137728 /nfs/dbraw/zinc/13/77/28/344137728.db2.gz UNGAGPCZHZXERH-CABCVRRESA-N 0 1 291.351 2.260 20 5 CEBDMN CC[N@@H+](C)C[C@@H]1CCN(Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000093769955 344228547 /nfs/dbraw/zinc/22/85/47/344228547.db2.gz KKFKONJORSBTFW-LBPRGKRZSA-N 0 1 293.367 2.074 20 5 CEBDMN CCC[C@H]1CCCN(Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602473640 347047931 /nfs/dbraw/zinc/04/79/31/347047931.db2.gz BSTOLHJOKRQJPR-NSHDSACASA-N 0 1 266.345 2.340 20 5 CEBDMN O=[N+]([O-])c1ccc2oc(CN[C@@H]3CCCOC3)nc2c1 ZINC000602540518 347071123 /nfs/dbraw/zinc/07/11/23/347071123.db2.gz OFYCAATXOHUKSO-SECBINFHSA-N 0 1 277.280 2.005 20 5 CEBDMN O=[N+]([O-])c1ccsc1N[C@H]1CCc2[nH]cnc2C1 ZINC000589606250 345088831 /nfs/dbraw/zinc/08/88/31/345088831.db2.gz ZJISUFCCULJGAY-ZETCQYMHSA-N 0 1 264.310 2.349 20 5 CEBDMN O=[N+]([O-])c1ccc(N2CCN(CC3=CCCC3)CC2)cn1 ZINC000592059172 345316919 /nfs/dbraw/zinc/31/69/19/345316919.db2.gz PRNPJVOPUBQAAG-UHFFFAOYSA-N 0 1 288.351 2.222 20 5 CEBDMN Cn1nccc1CSCc1cc(O)ccc1[N+](=O)[O-] ZINC000593191455 345451824 /nfs/dbraw/zinc/45/18/24/345451824.db2.gz XUUZBBMRQRJYAD-UHFFFAOYSA-N 0 1 279.321 2.467 20 5 CEBDMN C[N@@H+](Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-])C1CCC1 ZINC000593737711 345530067 /nfs/dbraw/zinc/53/00/67/345530067.db2.gz RHLPPBADKMWEPM-UHFFFAOYSA-N 0 1 264.281 2.277 20 5 CEBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCCC(F)(F)C1 ZINC000593789434 345539219 /nfs/dbraw/zinc/53/92/19/345539219.db2.gz IYQAXGHXDSHVGU-UHFFFAOYSA-N 0 1 286.234 2.172 20 5 CEBDMN O=[N+]([O-])c1ccc(NCc2n[nH]c([C@@H]3CCCO3)n2)s1 ZINC000594589485 345652702 /nfs/dbraw/zinc/65/27/02/345652702.db2.gz LAUSSMUUKRSHCL-ZETCQYMHSA-N 0 1 295.324 2.238 20 5 CEBDMN O=[N+]([O-])c1sccc1NCc1n[nH]c([C@H]2CCCO2)n1 ZINC000594590117 345653129 /nfs/dbraw/zinc/65/31/29/345653129.db2.gz UGWTUQYOHNHJAY-MRVPVSSYSA-N 0 1 295.324 2.238 20 5 CEBDMN O=[N+]([O-])c1cc(CN[C@@H]2C[C@H](O)C23CCC3)cs1 ZINC000594990337 345722495 /nfs/dbraw/zinc/72/24/95/345722495.db2.gz XDEJZDRLMYPCKA-ZJUUUORDSA-N 0 1 268.338 2.049 20 5 CEBDMN CO[C@@](C)([C@@H](C)NCc1onc(C)c1[N+](=O)[O-])C1CC1 ZINC000595542415 345807706 /nfs/dbraw/zinc/80/77/06/345807706.db2.gz FKZKZHNOBJBYDS-RNCFNFMXSA-N 0 1 283.328 2.184 20 5 CEBDMN C[C@@H]1C[C@@H](CO)CN(Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595553541 345811489 /nfs/dbraw/zinc/81/14/89/345811489.db2.gz XQNHXLHGDHYVSB-GHMZBOCLSA-N 0 1 282.315 2.184 20 5 CEBDMN Cc1noc(CN[C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)c1[N+](=O)[O-] ZINC000595510888 345799929 /nfs/dbraw/zinc/79/99/29/345799929.db2.gz DPUSTUUUINIDPA-BIMULSAOSA-N 0 1 295.339 2.184 20 5 CEBDMN CO[C@@H]1[C@H](C)[C@@H](NCc2onc(C)c2[N+](=O)[O-])C1(C)C ZINC000595512163 345800729 /nfs/dbraw/zinc/80/07/29/345800729.db2.gz OAZJRHKEIFADNZ-NZXMKCKXSA-N 0 1 283.328 2.040 20 5 CEBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N(C)C[C@H]1COCCO1 ZINC000595738647 345863499 /nfs/dbraw/zinc/86/34/99/345863499.db2.gz XCLKYQFQPKYIPW-OCCSQVGLSA-N 0 1 294.351 2.311 20 5 CEBDMN CCO[C@H]1C[C@@H]1NCc1ccc([N+](=O)[O-])cc1C ZINC000516905945 313097782 /nfs/dbraw/zinc/09/77/82/313097782.db2.gz UAUNJCAWHSOTLK-STQMWFEESA-N 0 1 250.298 2.170 20 5 CEBDMN COC(=O)[C@H]1C[C@@H](NCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000597220110 346152053 /nfs/dbraw/zinc/15/20/53/346152053.db2.gz DRRMMBICZORMOF-AOOOYVTPSA-N 0 1 298.726 2.289 20 5 CEBDMN Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000597231104 346156200 /nfs/dbraw/zinc/15/62/00/346156200.db2.gz NNYLBEHMMNYRHU-KGLIPLIRSA-N 0 1 276.336 2.372 20 5 CEBDMN CC[C@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000598233536 346312239 /nfs/dbraw/zinc/31/22/39/346312239.db2.gz OYOHHXGRXSXKBH-NSHDSACASA-N 0 1 288.307 2.390 20 5 CEBDMN C[C@]1(C(=O)[O-])CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000062876584 362727777 /nfs/dbraw/zinc/72/77/77/362727777.db2.gz XSXZJSSNOARNRI-AWEZNQCLSA-N 0 1 278.308 2.282 20 5 CEBDMN Cc1c(C[N@H+]2CC[C@](C)(C(=O)[O-])C2)cccc1[N+](=O)[O-] ZINC000062935347 362735026 /nfs/dbraw/zinc/73/50/26/362735026.db2.gz VIXYRGJTESPLAK-AWEZNQCLSA-N 0 1 278.308 2.200 20 5 CEBDMN CC1(C)[C@H](O)C[C@H]1NCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000128452397 187371436 /nfs/dbraw/zinc/37/14/36/187371436.db2.gz ICLRQNOZNREBSR-VXGBXAGGSA-N 0 1 284.743 2.497 20 5 CEBDMN O=[N+]([O-])c1ccc([O-])cc1C[NH2+][C@@H]1CCCn2nccc21 ZINC000601173922 346777718 /nfs/dbraw/zinc/77/77/18/346777718.db2.gz MLRQHRMTYUSARM-GFCCVEGCSA-N 0 1 288.307 2.122 20 5 CEBDMN O=[N+]([O-])c1ccc(O)cc1CN[C@@H]1CCCn2nccc21 ZINC000601173922 346777719 /nfs/dbraw/zinc/77/77/19/346777719.db2.gz MLRQHRMTYUSARM-GFCCVEGCSA-N 0 1 288.307 2.122 20 5 CEBDMN C[C@]1(O)CCCN(C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000129427989 365857553 /nfs/dbraw/zinc/85/75/53/365857553.db2.gz LVMGEDHKKIVXSL-SZTZYQKNSA-N 0 1 276.336 2.455 20 5 CEBDMN O=[N+]([O-])c1cc(F)ccc1N1CC(N2CCCC2)C1 ZINC000601193880 346782899 /nfs/dbraw/zinc/78/28/99/346782899.db2.gz RAVJQHPWDVEPMX-UHFFFAOYSA-N 0 1 265.288 2.018 20 5 CEBDMN O=[N+]([O-])c1ccc(Nc2cnn(-c3ccncc3)c2)nc1 ZINC000608909274 347623707 /nfs/dbraw/zinc/62/37/07/347623707.db2.gz HKAMFJCVVWHUHB-UHFFFAOYSA-N 0 1 282.263 2.314 20 5 CEBDMN Cc1cc(CN[C@@H](C)c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000608982477 347624994 /nfs/dbraw/zinc/62/49/94/347624994.db2.gz MYSPZHBXUIEUJG-JTQLQIEISA-N 0 1 260.297 2.477 20 5 CEBDMN Cc1cc(CN[C@@H](C)c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000608982477 347624998 /nfs/dbraw/zinc/62/49/98/347624998.db2.gz MYSPZHBXUIEUJG-JTQLQIEISA-N 0 1 260.297 2.477 20 5 CEBDMN CC(=O)c1ccc(NCc2cc(C)[nH]n2)c([N+](=O)[O-])c1 ZINC000609595752 347645688 /nfs/dbraw/zinc/64/56/88/347645688.db2.gz FWBAEBJYYGIFAY-UHFFFAOYSA-N 0 1 274.280 2.441 20 5 CEBDMN CN1CCC[C@H](NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC000609875589 347654366 /nfs/dbraw/zinc/65/43/66/347654366.db2.gz YDBBEEITMJYYTI-NSHDSACASA-N 0 1 297.742 2.072 20 5 CEBDMN Cn1ncc(Nc2ncccc2[N+](=O)[O-])c1C(F)F ZINC000611143848 347744098 /nfs/dbraw/zinc/74/40/98/347744098.db2.gz WLJTYKXEYKBJRB-UHFFFAOYSA-N 0 1 269.211 2.405 20 5 CEBDMN CC[C@@]1(NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCOC1 ZINC000618308944 348923738 /nfs/dbraw/zinc/92/37/38/348923738.db2.gz YQAFJIJDEHXPTR-CQSZACIVSA-N 0 1 290.323 2.130 20 5 CEBDMN COc1cc([N+](=O)[O-])ccc1CN(C)CC(C)(C)OC ZINC000619531687 349194569 /nfs/dbraw/zinc/19/45/69/349194569.db2.gz XBSXJLSASDMEPH-UHFFFAOYSA-N 0 1 282.340 2.460 20 5 CEBDMN CCN(Cc1ccc(Cl)cc1[N+](=O)[O-])[C@@H](C)CO ZINC000339635492 215280583 /nfs/dbraw/zinc/28/05/83/215280583.db2.gz ZOCDRZAARTUWRX-VIFPVBQESA-N 0 1 272.732 2.451 20 5 CEBDMN O=[N+]([O-])c1ccc(O)cc1CN1CCO[C@@H](C2CCC2)C1 ZINC000411836927 233286569 /nfs/dbraw/zinc/28/65/69/233286569.db2.gz AMVGXQJBZRTYGF-OAHLLOKOSA-N 0 1 292.335 2.301 20 5 CEBDMN C[C@H]1C[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1C(=O)[O-] ZINC000111255186 186378947 /nfs/dbraw/zinc/37/89/47/186378947.db2.gz OXVYSRGSJUNADB-KWQFWETISA-N 0 1 298.726 2.401 20 5 CEBDMN C[C@H](O)C[C@H]1CCCN1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000124041636 187120046 /nfs/dbraw/zinc/12/00/46/187120046.db2.gz ZFUQOBTZPCMRQU-CMPLNLGQSA-N 0 1 282.315 2.469 20 5 CEBDMN Cc1c([C@H](C)N[C@H]2CCCCNC2=O)cccc1[N+](=O)[O-] ZINC000134081440 187725212 /nfs/dbraw/zinc/72/52/12/187725212.db2.gz KMQFZTHMUIJHDM-AAEUAGOBSA-N 0 1 291.351 2.223 20 5 CEBDMN C[C@H]1OCC[C@@]1(C)NCc1c(F)cccc1[N+](=O)[O-] ZINC000494238303 290963812 /nfs/dbraw/zinc/96/38/12/290963812.db2.gz PXVZHEGYQGGQCV-NOZJJQNGSA-N 0 1 268.288 2.391 20 5 CEBDMN CCc1nc(CNC(C)(C)c2ccccc2[N+](=O)[O-])n[nH]1 ZINC000292108541 198166480 /nfs/dbraw/zinc/16/64/80/198166480.db2.gz ITQDXQVITPFCDV-UHFFFAOYSA-N 0 1 289.339 2.300 20 5 CEBDMN CC[C@@H]1CCN1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000292125288 198173413 /nfs/dbraw/zinc/17/34/13/198173413.db2.gz AWJMGGKTMGUJCW-YPMHNXCESA-N 0 1 250.298 2.113 20 5 CEBDMN CCCCN(C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000073141089 363200284 /nfs/dbraw/zinc/20/02/84/363200284.db2.gz VDSUMPQBMUMPEI-UHFFFAOYSA-N 0 1 279.340 2.290 20 5 CEBDMN CC[C@@H]1CCC[C@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000163683908 188613215 /nfs/dbraw/zinc/61/32/15/188613215.db2.gz MARKTNMPTIJPLO-BDAKNGLRSA-N 0 1 266.301 2.017 20 5 CEBDMN CNC(=O)[C@@H](C)CN(C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000176377864 283382509 /nfs/dbraw/zinc/38/25/09/283382509.db2.gz RZCUTCBGFPGAOP-VIFPVBQESA-N 0 1 299.758 2.062 20 5 CEBDMN Cc1ccsc1CN(C)C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000338752463 366504056 /nfs/dbraw/zinc/50/40/56/366504056.db2.gz QYZPNADFNPEHFT-UHFFFAOYSA-N 0 1 294.336 2.268 20 5 CEBDMN C[C@@H](c1cnn(C)c1)N(C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339075537 366642830 /nfs/dbraw/zinc/64/28/30/366642830.db2.gz KBQVNTCRBWGEOU-JTQLQIEISA-N 0 1 290.323 2.227 20 5 CEBDMN CCCN(CC)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000298298794 200386900 /nfs/dbraw/zinc/38/69/00/200386900.db2.gz NQWCQXXKITUXJA-UHFFFAOYSA-N 0 1 276.296 2.343 20 5 CEBDMN C[C@H]1CSCCN1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000178863586 189151483 /nfs/dbraw/zinc/15/14/83/189151483.db2.gz ZWPOQVLVUKGDFW-GWCFXTLKSA-N 0 1 282.365 2.066 20 5 CEBDMN CC(C)[C@H]1CN(C)CCN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000153852567 366741546 /nfs/dbraw/zinc/74/15/46/366741546.db2.gz IDVPKYVKKQGEQR-CQSZACIVSA-N 0 1 291.351 2.007 20 5 CEBDMN Cc1c(C[N@@H+]2CC[C@H](C(=O)[O-])[C@@H]2C)cccc1[N+](=O)[O-] ZINC000092924740 364118408 /nfs/dbraw/zinc/11/84/08/364118408.db2.gz AAJOFNXWAKZYNV-JQWIXIFHSA-N 0 1 278.308 2.198 20 5 CEBDMN CO[C@@H](C)CNCc1ccc([N+](=O)[O-])cc1Cl ZINC000191221580 189587062 /nfs/dbraw/zinc/58/70/62/189587062.db2.gz FYVVXHUEGRXNDK-QMMMGPOBSA-N 0 1 258.705 2.373 20 5 CEBDMN CCOc1ccc([N+](=O)[O-])cc1CNC[C@H]1CCCO1 ZINC000101588964 364565237 /nfs/dbraw/zinc/56/52/37/364565237.db2.gz PATHNKMDUVCFJJ-CYBMUJFWSA-N 0 1 280.324 2.262 20 5 CEBDMN Cc1nn(C)cc1[C@H](C)NCc1ccc([N+](=O)[O-])cc1 ZINC000112837384 364849262 /nfs/dbraw/zinc/84/92/62/364849262.db2.gz RXBHDOGQMQIHFY-JTQLQIEISA-N 0 1 274.324 2.488 20 5 CEBDMN Cc1nn(C)cc1[C@@H](C)NCc1ccc([N+](=O)[O-])cc1 ZINC000112837382 364849433 /nfs/dbraw/zinc/84/94/33/364849433.db2.gz RXBHDOGQMQIHFY-SNVBAGLBSA-N 0 1 274.324 2.488 20 5 CEBDMN COC[C@H]1CCCN(Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000112987886 364862732 /nfs/dbraw/zinc/86/27/32/364862732.db2.gz IGSXGVHTUKPFIP-ZDUSSCGKSA-N 0 1 294.351 2.462 20 5 CEBDMN Cc1n[nH]c(C(F)F)c1NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000340838116 367051025 /nfs/dbraw/zinc/05/10/25/367051025.db2.gz VPTAKQQXLMWUDA-UHFFFAOYSA-N 0 1 285.210 2.144 20 5 CEBDMN Cc1ccc(C[C@H](C)NC(=O)c2n[nH]cc2[N+](=O)[O-])s1 ZINC000162619313 367175344 /nfs/dbraw/zinc/17/53/44/367175344.db2.gz ZQRUALUGBOPOLX-ZETCQYMHSA-N 0 1 294.336 2.049 20 5 CEBDMN CC1(CNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CCC1 ZINC000175069789 368095886 /nfs/dbraw/zinc/09/58/86/368095886.db2.gz HGYFGOUGDJNZAI-UHFFFAOYSA-N 0 1 288.307 2.391 20 5 CEBDMN CCN(Cc1ccccc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000348276956 368981827 /nfs/dbraw/zinc/98/18/27/368981827.db2.gz QFPVRLSIMRRBKA-LBPRGKRZSA-N 0 1 250.298 2.206 20 5 CEBDMN CSC[C@@H](O)CN(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000187946790 369257711 /nfs/dbraw/zinc/25/77/11/369257711.db2.gz NXCDXHQVYFKRIJ-AWEZNQCLSA-N 0 1 296.392 2.283 20 5 CEBDMN CCc1[nH]nc(C(=O)N(C)C[C@@H]2CC=CCC2)c1[N+](=O)[O-] ZINC000330792145 203241999 /nfs/dbraw/zinc/24/19/99/203241999.db2.gz BSDVNMFLAUDRCY-SNVBAGLBSA-N 0 1 292.339 2.309 20 5 CEBDMN CCc1[nH]nc(C(=O)N(C2CC2)C2CCCC2)c1[N+](=O)[O-] ZINC000192520931 369823713 /nfs/dbraw/zinc/82/37/13/369823713.db2.gz OJGKDOYNECRDHN-UHFFFAOYSA-N 0 1 292.339 2.428 20 5 CEBDMN CCO[C@H]1COCC[C@H]1NCc1ccc([N+](=O)[O-])cc1F ZINC000353163697 370047922 /nfs/dbraw/zinc/04/79/22/370047922.db2.gz CRMPGMMLNJRUGW-KGLIPLIRSA-N 0 1 298.314 2.018 20 5 CEBDMN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCc1cnc[nH]1 ZINC000354330278 370317463 /nfs/dbraw/zinc/31/74/63/370317463.db2.gz WOVQKXLDILASMM-UHFFFAOYSA-N 0 1 288.307 2.173 20 5 CEBDMN C[C@H]1CCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)[C@@H]1C(=O)[O-] ZINC000235655969 370572362 /nfs/dbraw/zinc/57/23/62/370572362.db2.gz ZQKHGWXXZGJPRE-FZMZJTMJSA-N 0 1 292.335 2.322 20 5 CEBDMN CC[C@@H]1CCCN(Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000331639209 204036401 /nfs/dbraw/zinc/03/64/01/204036401.db2.gz MQYRERGHFJNSRM-LLVKDONJSA-N 0 1 266.345 2.340 20 5 CEBDMN O=[N+]([O-])c1ccc(O)cc1CN1CCO[C@H]2CCC[C@H]21 ZINC000331819058 204200553 /nfs/dbraw/zinc/20/05/53/204200553.db2.gz ODMZMQWZONRLEM-KGLIPLIRSA-N 0 1 278.308 2.054 20 5 CEBDMN CCc1nc([C@@H](C)Nc2nc(C)cc(C)c2[N+](=O)[O-])n[nH]1 ZINC000359089947 371333286 /nfs/dbraw/zinc/33/32/86/371333286.db2.gz CGJABUZUVMSLEM-SECBINFHSA-N 0 1 290.327 2.460 20 5 CEBDMN C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[C@@H](O)[C@H](C)C1 ZINC000249604594 371346397 /nfs/dbraw/zinc/34/63/97/371346397.db2.gz ZHRZNULIVJGQAV-JTNHKYCSSA-N 0 1 264.325 2.359 20 5 CEBDMN COc1ccc(CN2CC[C@@H](C)[C@H](OC)C2)cc1[N+](=O)[O-] ZINC000251521887 371405397 /nfs/dbraw/zinc/40/53/97/371405397.db2.gz CTGPPGLXAOKGBO-IAQYHMDHSA-N 0 1 294.351 2.460 20 5 CEBDMN C[C@@H]1OCC[C@]1(C)NCc1ccc([N+](=O)[O-])cc1F ZINC000336810055 213678189 /nfs/dbraw/zinc/67/81/89/213678189.db2.gz GYBXBBFNMOBQCV-ZANVPECISA-N 0 1 268.288 2.391 20 5 CEBDMN CCOc1ccc([N+](=O)[O-])cc1CN1C[C@H](CO)[C@H](C)C1 ZINC000361663795 372013645 /nfs/dbraw/zinc/01/36/45/372013645.db2.gz WWOQMWKZRDHUNR-DGCLKSJQSA-N 0 1 294.351 2.054 20 5 CEBDMN Cc1c([C@H](C)NC[C@H](O)C(F)(F)F)cccc1[N+](=O)[O-] ZINC000268880953 372269804 /nfs/dbraw/zinc/26/98/04/372269804.db2.gz XPHLTNFRNAXWDG-KWQFWETISA-N 0 1 292.257 2.477 20 5 CEBDMN O=C(N[C@H]1CCCc2cn[nH]c21)c1cccc([N+](=O)[O-])c1 ZINC000268915207 372285988 /nfs/dbraw/zinc/28/59/88/372285988.db2.gz BPNCFWRDVAEGBH-LBPRGKRZSA-N 0 1 286.291 2.125 20 5 CEBDMN CC1(C)CN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CCS1 ZINC000269619412 372507796 /nfs/dbraw/zinc/50/77/96/372507796.db2.gz ADNVTYDEJGOQLH-ZDUSSCGKSA-N 0 1 296.392 2.456 20 5 CEBDMN C[C@H](O)C[C@H]1CCCN1Cc1csc([N+](=O)[O-])c1 ZINC000269772565 372562977 /nfs/dbraw/zinc/56/29/77/372562977.db2.gz BUNSZCFBUDYVQJ-GXSJLCMTSA-N 0 1 270.354 2.392 20 5 CEBDMN CCc1nc([C@H](C)Nc2cc(C)c([N+](=O)[O-])cn2)n[nH]1 ZINC000270621198 372869603 /nfs/dbraw/zinc/86/96/03/372869603.db2.gz CIVCDCZAXGORGO-QMMMGPOBSA-N 0 1 276.300 2.152 20 5 CEBDMN CCc1nc([C@H](C)Nc2ncc(Cl)cc2[N+](=O)[O-])n[nH]1 ZINC000270732988 372925070 /nfs/dbraw/zinc/92/50/70/372925070.db2.gz RNGULOBKQVTIFN-LURJTMIESA-N 0 1 296.718 2.497 20 5 CEBDMN CCc1[nH]nc(C(=O)N(C)C2CCCCC2)c1[N+](=O)[O-] ZINC000171369774 220212234 /nfs/dbraw/zinc/21/22/34/220212234.db2.gz REXPJHKESYHIGV-UHFFFAOYSA-N 0 1 280.328 2.285 20 5 CEBDMN C[C@@H]1CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C[C@H]1C ZINC000272630597 373589127 /nfs/dbraw/zinc/58/91/27/373589127.db2.gz BBLMZNFETWMEAB-NXEZZACHSA-N 0 1 278.308 2.419 20 5 CEBDMN C[C@@H]1C[C@H](c2ccccc2F)N(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000371779606 373977412 /nfs/dbraw/zinc/97/74/12/373977412.db2.gz BQRNIEJCDIAJFC-WGEPELCKSA-N 0 1 292.310 2.400 20 5 CEBDMN O=C(N[C@@H]1CC[C@H](c2cccc(F)c2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000373707434 374408500 /nfs/dbraw/zinc/40/85/00/374408500.db2.gz RQSQOGCMTOPSIZ-ASEORRQLSA-N 0 1 292.310 2.243 20 5 CEBDMN O=[N+]([O-])c1ccc(N[C@H]2CCc3[nH]cnc3C2)c(F)c1 ZINC000378206441 375043606 /nfs/dbraw/zinc/04/36/06/375043606.db2.gz ZYEKTYDAVSTCLD-QMMMGPOBSA-N 0 1 276.271 2.426 20 5 CEBDMN O=C(NCc1cccc(-c2ccccn2)c1)[C@@H]1CC1[N+](=O)[O-] ZINC000378249855 375054065 /nfs/dbraw/zinc/05/40/65/375054065.db2.gz HCJMYBIGYNWPIN-HIFRSBDPSA-N 0 1 297.314 2.030 20 5 CEBDMN Cc1ccc(CN2C[C@H](O)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000280582597 375252088 /nfs/dbraw/zinc/25/20/88/375252088.db2.gz WSYREBOEVIWOGM-ZDUSSCGKSA-N 0 1 264.325 2.106 20 5 CEBDMN Cc1cc(C)c([N+](=O)[O-])c(N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)n1 ZINC000408172154 375422909 /nfs/dbraw/zinc/42/29/09/375422909.db2.gz SJYYCRSIZQEYSQ-OLZOCXBDSA-N 0 1 290.367 2.280 20 5 CEBDMN Cc1c([C@@H](C)N[C@@H](C)C(=O)NC(C)C)cccc1[N+](=O)[O-] ZINC000414328680 375832547 /nfs/dbraw/zinc/83/25/47/375832547.db2.gz AUBFBXFZBMDARV-NEPJUHHUSA-N 0 1 293.367 2.467 20 5 CEBDMN Cc1nc([C@H](C)Nc2ccc([N+](=O)[O-])cc2F)n[nH]1 ZINC000286305039 375905783 /nfs/dbraw/zinc/90/57/83/375905783.db2.gz HQXJNBSYYHCSOF-LURJTMIESA-N 0 1 265.248 2.334 20 5 CEBDMN CCn1c(C)nc([N+](=O)[O-])c1N[C@@H]1CCCc2cn[nH]c21 ZINC000288049029 376366788 /nfs/dbraw/zinc/36/67/88/376366788.db2.gz AJGLWZJCFIBMKV-SNVBAGLBSA-N 0 1 290.327 2.332 20 5 CEBDMN Cc1[nH]nc(C(=O)N([C@@H](C)C2CC2)C2CC2)c1[N+](=O)[O-] ZINC000264243351 190098825 /nfs/dbraw/zinc/09/88/25/190098825.db2.gz FLKUMQWLSHXOAV-QMMMGPOBSA-N 0 1 278.312 2.029 20 5 CEBDMN CCCN1CCN(Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000313686774 376748461 /nfs/dbraw/zinc/74/84/61/376748461.db2.gz QGLBMVKMQYLKMS-UHFFFAOYSA-N 0 1 281.331 2.262 20 5 CEBDMN C[C@H]1N(Cc2cc(O)ccc2[N+](=O)[O-])CCOC1(C)C ZINC000330457996 377141924 /nfs/dbraw/zinc/14/19/24/377141924.db2.gz RDZIURSGXKTYNZ-SNVBAGLBSA-N 0 1 280.324 2.300 20 5 CEBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCC[C@@H](F)C1 ZINC000566399996 377760378 /nfs/dbraw/zinc/76/03/78/377760378.db2.gz JCWYSMPSVAMGOZ-MRVPVSSYSA-N 0 1 292.270 2.045 20 5 CEBDMN Cc1c(C[N@H+](C)CC(C)(C)CO)cccc1[N+](=O)[O-] ZINC000295300324 378091794 /nfs/dbraw/zinc/09/17/94/378091794.db2.gz UYIOCDHAXXVFCE-UHFFFAOYSA-N 0 1 266.341 2.354 20 5 CEBDMN CC[C@@H]1CN(CC)CCN1c1c([N+](=O)[O-])nc(C)n1CC ZINC000450831820 378602201 /nfs/dbraw/zinc/60/22/01/378602201.db2.gz QMGBTHUNXZMSLO-GFCCVEGCSA-N 0 1 295.387 2.040 20 5 CEBDMN C[C@@H]1CCCN(CCNC(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000298511625 378751213 /nfs/dbraw/zinc/75/12/13/378751213.db2.gz UYJDYQWROWYZPG-SNVBAGLBSA-N 0 1 297.380 2.118 20 5 CEBDMN Cc1[nH]nc(C(=O)N(C)[C@@H]2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000299529250 379033063 /nfs/dbraw/zinc/03/30/63/379033063.db2.gz LHSABGCSXOWNCY-WCBMZHEXSA-N 0 1 280.328 2.277 20 5 CEBDMN Cc1ccc(C[N@@H+]2CC[C@H](C)[C@@H](C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000514602645 379129976 /nfs/dbraw/zinc/12/99/76/379129976.db2.gz IILPIPLZIGDPJR-GWCFXTLKSA-N 0 1 292.335 2.446 20 5 CEBDMN CC[C@@H]1CN(CC)CCN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000456338762 379395106 /nfs/dbraw/zinc/39/51/06/379395106.db2.gz COPBDPQVNPJLHQ-CYBMUJFWSA-N 0 1 291.351 2.151 20 5 CEBDMN CCCCNC(=O)CCN(C)Cc1ccccc1[N+](=O)[O-] ZINC000523841002 379610491 /nfs/dbraw/zinc/61/04/91/379610491.db2.gz DECXHOXLASAKBZ-UHFFFAOYSA-N 0 1 293.367 2.333 20 5 CEBDMN C[C@@H]1C[C@H](C)N1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000525941152 379681497 /nfs/dbraw/zinc/68/14/97/379681497.db2.gz GBBDNGULKAJNRJ-OCAPTIKFSA-N 0 1 274.280 2.094 20 5 CEBDMN CC[N@H+](Cc1cc([O-])ccc1[N+](=O)[O-])C[C@H](C)OC ZINC000339208367 285095738 /nfs/dbraw/zinc/09/57/38/285095738.db2.gz VSYMCBJHFDOFKW-JTQLQIEISA-N 0 1 268.313 2.157 20 5 CEBDMN CO[C@H]1CCN(C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000353861269 220374629 /nfs/dbraw/zinc/37/46/29/220374629.db2.gz ANSWWGOLZWWLCE-AGLBCWCQSA-N 0 1 262.309 2.329 20 5 CEBDMN CC[C@H]1CN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCCO1 ZINC000281453639 195246944 /nfs/dbraw/zinc/24/69/44/195246944.db2.gz QSULKTVAPOTZJM-LSDHHAIUSA-N 0 1 294.351 2.129 20 5 CEBDMN O=C(NCc1ccsc1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356804322 394618311 /nfs/dbraw/zinc/61/83/11/394618311.db2.gz OHMDACNSEIUMQM-UHFFFAOYSA-N 0 1 278.289 2.292 20 5 CEBDMN CC[C@@H](N[C@@H]1COC[C@@H]1OC)c1cccc([N+](=O)[O-])c1 ZINC000414187674 394725422 /nfs/dbraw/zinc/72/54/22/394725422.db2.gz QKGRVCDLTOTULO-MCIONIFRSA-N 0 1 280.324 2.049 20 5 CEBDMN CC(C)N1CCN(c2c3c(ccc2[N+](=O)[O-])NCC3)CC1 ZINC000275359557 394807681 /nfs/dbraw/zinc/80/76/81/394807681.db2.gz LCKJKFRCGIKFPD-UHFFFAOYSA-N 0 1 290.367 2.093 20 5 CEBDMN CCC(=O)c1ccc(N2CCCN(C)CC2)c([N+](=O)[O-])c1 ZINC000279982141 394845684 /nfs/dbraw/zinc/84/56/84/394845684.db2.gz FQPGQJKNBKHCFT-UHFFFAOYSA-N 0 1 291.351 2.329 20 5 CEBDMN COc1ccc([N+](=O)[O-])cc1CN1CC[C@@]2(CCOC2)C1 ZINC000153582751 395011307 /nfs/dbraw/zinc/01/13/07/395011307.db2.gz KEASIULSOXRDNG-OAHLLOKOSA-N 0 1 292.335 2.216 20 5 CEBDMN CC[C@](C)(O)CN1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000161515921 395064179 /nfs/dbraw/zinc/06/41/79/395064179.db2.gz NFRINTYVMJUBPS-AWEZNQCLSA-N 0 1 264.325 2.114 20 5 CEBDMN O=C(NC1(c2ccccc2)CCC1)c1n[nH]cc1[N+](=O)[O-] ZINC000179729694 395197915 /nfs/dbraw/zinc/19/79/15/395197915.db2.gz IPBVAJWCPQLQBE-UHFFFAOYSA-N 0 1 286.291 2.127 20 5 CEBDMN CCN1C[C@H](N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1=O ZINC000391613603 395201415 /nfs/dbraw/zinc/20/14/15/395201415.db2.gz PEMYHMDZZFDDPY-WCQYABFASA-N 0 1 291.351 2.175 20 5 CEBDMN C[C@@H](NCc1n[nH]c(C2CC2)n1)c1ccc([N+](=O)[O-])cc1 ZINC000296286219 395315838 /nfs/dbraw/zinc/31/58/38/395315838.db2.gz FEXOTBHNMSHTFS-SECBINFHSA-N 0 1 287.323 2.441 20 5 CEBDMN CCc1[nH]nc(C(=O)N(C)[C@@H]2CC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000444403496 395430789 /nfs/dbraw/zinc/43/07/89/395430789.db2.gz NOSWALMYAYNGRC-RKDXNWHRSA-N 0 1 280.328 2.141 20 5 CEBDMN O=C(Nc1cccc(CO)c1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000355386102 395431127 /nfs/dbraw/zinc/43/11/27/395431127.db2.gz XUWKXMRPXSTLGR-UHFFFAOYSA-N 0 1 288.259 2.045 20 5 CEBDMN C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[C@@](O)(C(F)F)C1 ZINC000451436939 395618430 /nfs/dbraw/zinc/61/84/30/395618430.db2.gz KZLPSCHHVJYEBG-RNCFNFMXSA-N 0 1 286.278 2.358 20 5 CEBDMN Cc1ncc(CNCc2cccc([N+](=O)[O-])c2C)cn1 ZINC000359821302 155143957 /nfs/dbraw/zinc/14/39/57/155143957.db2.gz VXABZRICEFCCPL-UHFFFAOYSA-N 0 1 272.308 2.291 20 5 CEBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCCCC[C@H]1c1ccncc1 ZINC000360166901 155234241 /nfs/dbraw/zinc/23/42/41/155234241.db2.gz VJNWTSKXYAINRC-HZSPNIEDSA-N 0 1 289.335 2.191 20 5 CEBDMN C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1CO ZINC000191726739 153184029 /nfs/dbraw/zinc/18/40/29/153184029.db2.gz FLAWMQLXUXXJQD-KOLCDFICSA-N 0 1 284.743 2.308 20 5 CEBDMN C[C@@H]1[C@@H](C)N(Cc2csc([N+](=O)[O-])c2)CCN1C ZINC000356981476 154366041 /nfs/dbraw/zinc/36/60/41/154366041.db2.gz QPKJOKOXRMFDME-NXEZZACHSA-N 0 1 269.370 2.181 20 5 CEBDMN Cc1cc([C@@H]2CCN(C(=O)[C@H]3CC3[N+](=O)[O-])C2)cs1 ZINC000375377592 157087760 /nfs/dbraw/zinc/08/77/60/157087760.db2.gz GKYIZYXUFBCRRY-ADEWGFFLSA-N 0 1 280.349 2.038 20 5 CEBDMN CCOCCN(C)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000172582464 165056588 /nfs/dbraw/zinc/05/65/88/165056588.db2.gz KSPUNAUKHYRQKJ-UHFFFAOYSA-N 0 1 268.313 2.072 20 5 CEBDMN Cc1nc([C@H](C)Nc2ncc(Cl)cc2[N+](=O)[O-])n[nH]1 ZINC000286221708 196531976 /nfs/dbraw/zinc/53/19/76/196531976.db2.gz BUNRHBCBLDTILG-YFKPBYRVSA-N 0 1 282.691 2.243 20 5 CEBDMN CC[C@H](C)[N@@H+](CCOc1ccccc1[N+](=O)[O-])CC(=O)[O-] ZINC000236970685 270318386 /nfs/dbraw/zinc/31/83/86/270318386.db2.gz WFISPQAIPQAOFS-NSHDSACASA-N 0 1 296.323 2.159 20 5 CEBDMN C[C@@H]1CC[C@@H](CNCc2csc([N+](=O)[O-])c2)O1 ZINC000398129634 270357244 /nfs/dbraw/zinc/35/72/44/270357244.db2.gz KCQGOHOBVJKWJY-SCZZXKLOSA-N 0 1 256.327 2.313 20 5 CEBDMN CCOC[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000430247114 271367311 /nfs/dbraw/zinc/36/73/11/271367311.db2.gz YBBBLRGVAVMBIR-GFCCVEGCSA-N 0 1 294.351 2.462 20 5 CEBDMN C[C@@H]1CCSCCN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000276853689 287660442 /nfs/dbraw/zinc/66/04/42/287660442.db2.gz LFTXECRNLCUHKW-SECBINFHSA-N 0 1 296.348 2.268 20 5 CEBDMN COC1CC(N(C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000352203315 274015963 /nfs/dbraw/zinc/01/59/63/274015963.db2.gz QQSRGLGXVMZTPP-UHFFFAOYSA-N 0 1 250.298 2.204 20 5 CEBDMN COc1ccc([N+](=O)[O-])c(N2CCN(C(C)C)CC2)c1 ZINC000264610137 274117967 /nfs/dbraw/zinc/11/79/67/274117967.db2.gz FESDTNOBNWPQOB-UHFFFAOYSA-N 0 1 279.340 2.134 20 5 CEBDMN CC(C)CN(C/C=C\c1ccccc1[N+](=O)[O-])CC(N)=O ZINC000255625540 277375634 /nfs/dbraw/zinc/37/56/34/277375634.db2.gz HWJYBVROKBPDBB-ALCCZGGFSA-N 0 1 291.351 2.051 20 5 CEBDMN CC(C)c1[nH]nc(C(=O)N2CCC[C@@](C)(F)C2)c1[N+](=O)[O-] ZINC000295690809 278000042 /nfs/dbraw/zinc/00/00/42/278000042.db2.gz ZQBFNNAGIRRRRO-CYBMUJFWSA-N 0 1 298.318 2.406 20 5 CEBDMN CC(C)c1[nH]nc(C(=O)N2CC[C@H]3CCC[C@@H]32)c1[N+](=O)[O-] ZINC000408376721 278001032 /nfs/dbraw/zinc/00/10/32/278001032.db2.gz NZMMBNVXHPZESX-ZJUUUORDSA-N 0 1 292.339 2.456 20 5 CEBDMN C[C@H]1[C@H](C)N(Cc2c(F)cc([N+](=O)[O-])cc2F)CCN1C ZINC000351730204 280111407 /nfs/dbraw/zinc/11/14/07/280111407.db2.gz MONOYKLWMXQGOK-UWVGGRQHSA-N 0 1 299.321 2.397 20 5 CEBDMN Cc1cc(N2CC[C@@H](c3nc[nH]n3)C2)ccc1[N+](=O)[O-] ZINC000425290467 281186394 /nfs/dbraw/zinc/18/63/94/281186394.db2.gz XPKRUZSCCHGCNZ-SNVBAGLBSA-N 0 1 273.296 2.015 20 5 CEBDMN Cc1ccccc1[C@H](C)NCc1c([N+](=O)[O-])ncn1C ZINC000341063760 281382697 /nfs/dbraw/zinc/38/26/97/281382697.db2.gz DZPBROLSIYQPQR-NSHDSACASA-N 0 1 274.324 2.488 20 5 CEBDMN Cc1csc([C@@H]2CCCCN2C(=O)[C@H]2CC2[N+](=O)[O-])n1 ZINC000377555858 293053736 /nfs/dbraw/zinc/05/37/36/293053736.db2.gz DXRVEHXXWJVZCV-GARJFASQSA-N 0 1 295.364 2.170 20 5 CEBDMN CCN(C)C(=O)[C@H](C)N[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000530385861 298067817 /nfs/dbraw/zinc/06/78/17/298067817.db2.gz WSJWOUJKJGMUSA-NEPJUHHUSA-N 0 1 293.367 2.421 20 5 CEBDMN CC1(C)CN(Cc2ccccc2[N+](=O)[O-])[C@@H]2COC[C@@H]21 ZINC000577458905 314378363 /nfs/dbraw/zinc/37/83/63/314378363.db2.gz KICDEVVYALUFAK-GXTWGEPZSA-N 0 1 276.336 2.452 20 5 CEBDMN C[C@@H](N[C@@H]1CCCc2ccc([N+](=O)[O-])cc21)C(=O)N(C)C ZINC000577583073 314391249 /nfs/dbraw/zinc/39/12/49/314391249.db2.gz VXSPWAGJKVFCIY-QMTHXVAHSA-N 0 1 291.351 2.039 20 5 CEBDMN Cc1c(C[N@@H+]2C[C@@H](C)[C@](C)(C(=O)[O-])C2)cccc1[N+](=O)[O-] ZINC000580319700 322310768 /nfs/dbraw/zinc/31/07/68/322310768.db2.gz VRMFKCRDECAUQB-MEBBXXQBSA-N 0 1 292.335 2.446 20 5 CEBDMN CC(C)C[C@@H](N)c1noc(-c2cccc([N+](=O)[O-])c2N)n1 ZINC000339399180 519228163 /nfs/dbraw/zinc/22/81/63/519228163.db2.gz YIXRLCBKLXOOBQ-SECBINFHSA-N 0 1 291.311 2.273 20 5 CEBDMN CCCNC(=O)CCCN(C)Cc1ccccc1[N+](=O)[O-] ZINC000411139939 528355974 /nfs/dbraw/zinc/35/59/74/528355974.db2.gz YWLBFLLJTPZTKZ-UHFFFAOYSA-N 0 1 293.367 2.333 20 5 CEBDMN COC(=O)C[C@H](NCc1c(F)cccc1[N+](=O)[O-])C1CC1 ZINC000754535252 574586792 /nfs/dbraw/zinc/58/67/92/574586792.db2.gz FRACOMOAAWKQEP-LBPRGKRZSA-N 0 1 296.298 2.165 20 5 CEBDMN Cc1nn(CN2C[C@H](C)C[C@H]2C)c(C)c1[N+](=O)[O-] ZINC000740860801 574969701 /nfs/dbraw/zinc/96/97/01/574969701.db2.gz INPWSUCNRIQAJH-RKDXNWHRSA-N 0 1 252.318 2.096 20 5 CEBDMN Cc1nn(CN2CCC(C)CC2)c2ncc([N+](=O)[O-])cc12 ZINC000748450632 575186885 /nfs/dbraw/zinc/18/68/85/575186885.db2.gz VBDFLOCUIXVIPR-UHFFFAOYSA-N 0 1 289.339 2.337 20 5 CEBDMN O=[N+]([O-])c1c(N2CCc3cnccc32)nc2ccccn21 ZINC000749287109 575212156 /nfs/dbraw/zinc/21/21/56/575212156.db2.gz AXEAIAYFJBAOGY-UHFFFAOYSA-N 0 1 281.275 2.332 20 5 CEBDMN CC1(C)CCN1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000750109971 575247890 /nfs/dbraw/zinc/24/78/90/575247890.db2.gz YQKVFQZKPKOZSO-GFCCVEGCSA-N 0 1 250.298 2.113 20 5 CEBDMN C[C@H](C(=O)[O-])[N@@H+](C)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000817779626 597259568 /nfs/dbraw/zinc/25/95/68/597259568.db2.gz SKHZFJAFLSPTAE-SSDOTTSWSA-N 0 1 272.688 2.153 20 5 CEBDMN CC(C)[N@@H+](CC(=O)[O-])Cc1cc(F)ccc1[N+](=O)[O-] ZINC000037994718 598077922 /nfs/dbraw/zinc/07/79/22/598077922.db2.gz HXWKRUGCHIPBQU-UHFFFAOYSA-N 0 1 270.260 2.029 20 5 CEBDMN COCC(C)(C)NCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000167380043 625649061 /nfs/dbraw/zinc/64/90/61/625649061.db2.gz ULPOXOSYIWDXDB-UHFFFAOYSA-N 0 1 283.284 2.018 20 5 CEBDMN C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+](C)[C@@H](C)C(=O)[O-] ZINC000901979596 634403085 /nfs/dbraw/zinc/40/30/85/634403085.db2.gz CSUKFWFMCGPVLY-BRNRAETOSA-N 0 1 278.308 2.403 20 5 CEBDMN C[C@H](COC(=O)c1ccc([N+](=O)[O-])[nH]1)[C@H]1CCCCO1 ZINC000893505631 628660169 /nfs/dbraw/zinc/66/01/69/628660169.db2.gz ORVZLBVIEOCCGN-MWLCHTKSSA-N 0 1 282.296 2.285 20 5 CEBDMN CCCc1[nH]nc(C(=O)N(CC(C)(C)C)OC)c1[N+](=O)[O-] ZINC000804585992 629178915 /nfs/dbraw/zinc/17/89/15/629178915.db2.gz LQWOBGLNLSWZRS-UHFFFAOYSA-N 0 1 298.343 2.320 20 5 CEBDMN CCc1ccc(C(=O)[C@@H](C)OC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC000840672691 629339220 /nfs/dbraw/zinc/33/92/20/629339220.db2.gz OJBMTJBUCCKWAQ-OASPWFOLSA-N 0 1 291.303 2.029 20 5 CEBDMN CC(=O)c1cc([N+](=O)[O-])ccc1N[C@H]1CC[N@@H+](C)[C@H]1C ZINC000895735306 630325331 /nfs/dbraw/zinc/32/53/31/630325331.db2.gz CXQPFYHDQXAODS-ZANVPECISA-N 0 1 277.324 2.302 20 5 CEBDMN CC(=O)c1cc([N+](=O)[O-])ccc1N[C@H]1CCN(C)[C@H]1C ZINC000895735306 630325333 /nfs/dbraw/zinc/32/53/33/630325333.db2.gz CXQPFYHDQXAODS-ZANVPECISA-N 0 1 277.324 2.302 20 5 CEBDMN CC(=O)c1ccc([N+](=O)[O-])cc1N[C@H]1CCN(C)[C@H]1C ZINC000895738753 630328441 /nfs/dbraw/zinc/32/84/41/630328441.db2.gz ZIQBEZOMFUAFLT-ZANVPECISA-N 0 1 277.324 2.302 20 5 CEBDMN CN1CC[C@@H]1CNc1ncc([N+](=O)[O-])c2ccccc21 ZINC000895767370 630336941 /nfs/dbraw/zinc/33/69/41/630336941.db2.gz LXRFEPGIOPRFED-SNVBAGLBSA-N 0 1 272.308 2.259 20 5 CEBDMN C[C@@H](CNCc1cocn1)c1ccccc1[N+](=O)[O-] ZINC000897464822 631532032 /nfs/dbraw/zinc/53/20/32/631532032.db2.gz PAJVZWOSNWZQGR-JTQLQIEISA-N 0 1 261.281 2.476 20 5 CEBDMN Cc1nc([C@H](C)OC(=O)c2ccc(C)c([N+](=O)[O-])c2)n[nH]1 ZINC000840000722 631567890 /nfs/dbraw/zinc/56/78/90/631567890.db2.gz RISJJLRDAVXWNU-QMMMGPOBSA-N 0 1 290.279 2.248 20 5 CEBDMN C[C@H](O)CNCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000811485410 632389426 /nfs/dbraw/zinc/38/94/26/632389426.db2.gz JFFOVYJJZITHJP-LURJTMIESA-N 0 1 279.123 2.372 20 5 CEBDMN Cc1nc([C@@H](C)NCC=Cc2ccccc2[N+](=O)[O-])n[nH]1 ZINC000813331090 632669238 /nfs/dbraw/zinc/66/92/38/632669238.db2.gz LEQAKEVWSVYMPJ-BREXMAIKSA-N 0 1 287.323 2.385 20 5 CEBDMN Cc1ccc(N2C[C@@H](C)N(C)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000814929322 632932446 /nfs/dbraw/zinc/93/24/46/632932446.db2.gz RCEPPGQHVOZLTM-TXEJJXNPSA-N 0 1 263.341 2.432 20 5 CEBDMN O=[N+]([O-])c1ccc(-c2cc(CN3CCCC3)on2)o1 ZINC000901398732 634091197 /nfs/dbraw/zinc/09/11/97/634091197.db2.gz HQXWYDQZYXSHJB-UHFFFAOYSA-N 0 1 263.253 2.439 20 5 CEBDMN CC[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])CC(=O)[O-] ZINC000901426529 634104974 /nfs/dbraw/zinc/10/49/74/634104974.db2.gz KWNLMHVJZUZOGI-ALCCZGGFSA-N 0 1 264.281 2.015 20 5 CEBDMN O=C([O-])[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000901489112 634140560 /nfs/dbraw/zinc/14/05/60/634140560.db2.gz IKKZBZAPEPKCLN-VIFPVBQESA-N 0 1 284.699 2.155 20 5 CEBDMN C[C@@H](NC[C@H]1CCN1C)c1c(F)cccc1[N+](=O)[O-] ZINC000903317003 635064280 /nfs/dbraw/zinc/06/42/80/635064280.db2.gz RXFSFJWNTXBDPU-NXEZZACHSA-N 0 1 267.304 2.089 20 5 CEBDMN CCN1CCC[C@H](N[C@H](C)c2ccc([N+](=O)[O-])cc2)C1=O ZINC000903392988 635089301 /nfs/dbraw/zinc/08/93/01/635089301.db2.gz CTARULKNYNJROR-RISCZKNCSA-N 0 1 291.351 2.256 20 5 CEBDMN O=C([O-])CC1(C[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)CC1 ZINC000903962495 635371876 /nfs/dbraw/zinc/37/18/76/635371876.db2.gz HUCZTYXVZWQTGB-UHFFFAOYSA-N 0 1 290.319 2.208 20 5 CEBDMN O=[N+]([O-])CCNCc1cc2cc(Br)ccc2[nH]1 ZINC000905216180 636165111 /nfs/dbraw/zinc/16/51/11/636165111.db2.gz QQMAFSVAJMNFSA-UHFFFAOYSA-N 0 1 298.140 2.297 20 5 CEBDMN Cc1nccc2c(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])cccc12 ZINC000906157465 636615043 /nfs/dbraw/zinc/61/50/43/636615043.db2.gz UNWVHLLHEGGDEL-DGCLKSJQSA-N 0 1 271.276 2.147 20 5 CEBDMN Cc1[nH]ncc1CNC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000149186913 636798173 /nfs/dbraw/zinc/79/81/73/636798173.db2.gz CYSGXMVWFBIWGQ-UHFFFAOYSA-N 0 1 294.698 2.210 20 5 CEBDMN CCCOc1ccc([C@H](C)NCC[N+](=O)[O-])cc1OC ZINC000930202570 636817006 /nfs/dbraw/zinc/81/70/06/636817006.db2.gz XGLZETPFQADINA-NSHDSACASA-N 0 1 282.340 2.411 20 5 CEBDMN CC[C@H](C)[C@@H](COC(=O)c1ccc([N+](=O)[O-])[nH]1)OC ZINC000835636831 638337845 /nfs/dbraw/zinc/33/78/45/638337845.db2.gz ZTDBOVOPVAEFAX-WCBMZHEXSA-N 0 1 270.285 2.141 20 5 CEBDMN CC(C)CC(=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837331949 639188722 /nfs/dbraw/zinc/18/87/22/639188722.db2.gz CIZKWZKOKWXAJQ-UHFFFAOYSA-N 0 1 253.254 2.390 20 5 CEBDMN O=C(CC[C@H]1CCCO1)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837422605 639222780 /nfs/dbraw/zinc/22/27/80/639222780.db2.gz UVPCGYNSPKFERL-GFCCVEGCSA-N 0 1 295.291 2.303 20 5 CEBDMN CC1(C)CC[C@@H](C(=O)OCc2cc(O)ccc2[N+](=O)[O-])O1 ZINC000837676285 639338673 /nfs/dbraw/zinc/33/86/73/639338673.db2.gz JANYVIQEEOMIFK-LBPRGKRZSA-N 0 1 295.291 2.301 20 5 CEBDMN CC[C@@](C)(OC)C(=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837700773 639349172 /nfs/dbraw/zinc/34/91/72/639349172.db2.gz NZVGCELYCHKMTN-CYBMUJFWSA-N 0 1 283.280 2.159 20 5 CEBDMN C[C@@H](C[S@@](C)=O)NCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000168187889 639563407 /nfs/dbraw/zinc/56/34/07/639563407.db2.gz JZCPNDDPRDGVMO-ASCAZGACSA-N 0 1 290.772 2.105 20 5 CEBDMN CCSCCN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000158280097 639583476 /nfs/dbraw/zinc/58/34/76/639583476.db2.gz CJQNREUHQGYPJE-UHFFFAOYSA-N 0 1 295.408 2.470 20 5 CEBDMN O=C(Nc1ccc(F)cc1C(F)(F)F)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000841102914 639676089 /nfs/dbraw/zinc/67/60/89/639676089.db2.gz BWZTWYHEEBCTCD-HZGVNTEJSA-N 0 1 292.188 2.448 20 5 CEBDMN O=C(Oc1ccc(Cl)c(F)c1)[C@@H]1CC1[N+](=O)[O-] ZINC000841163435 639696032 /nfs/dbraw/zinc/69/60/32/639696032.db2.gz ICJIZSZCGMQRBI-HZGVNTEJSA-N 0 1 259.620 2.050 20 5 CEBDMN Cc1cccc2c1[C@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])CCO2 ZINC000841241532 639715968 /nfs/dbraw/zinc/71/59/68/639715968.db2.gz AQUMFVAUIMOKGV-CKYFFXLPSA-N 0 1 277.276 2.027 20 5 CEBDMN C[C@@H]1CCC[C@H](C)N(Cn2cc([N+](=O)[O-])cn2)C1 ZINC000172918403 639828130 /nfs/dbraw/zinc/82/81/30/639828130.db2.gz YQXJUMAJLUFZPA-MNOVXSKESA-N 0 1 252.318 2.259 20 5 CEBDMN O=C(O[C@H](c1ccccc1)c1ccncc1)[C@@H]1CC1[N+](=O)[O-] ZINC000842295419 640002021 /nfs/dbraw/zinc/00/20/21/640002021.db2.gz GDENZDJAUXJAGZ-RBSFLKMASA-N 0 1 298.298 2.379 20 5 CEBDMN O=C(O[C@@H]1CC[C@@H]2CCC[C@H]2C1)[C@@H]1CC1[N+](=O)[O-] ZINC000842339479 640021344 /nfs/dbraw/zinc/02/13/44/640021344.db2.gz OLOXIIPWQSUNLI-PREPNJAASA-N 0 1 253.298 2.164 20 5 CEBDMN CCOC1(C(=O)OCc2cc(O)ccc2[N+](=O)[O-])CCC1 ZINC000850291463 642656842 /nfs/dbraw/zinc/65/68/42/642656842.db2.gz ZSRKHCUNGQHPRU-UHFFFAOYSA-N 0 1 295.291 2.303 20 5 CEBDMN O=[N+]([O-])c1ccc(F)cc1CN[C@@H]1C[C@@H](O)C12CCC2 ZINC000852584348 643482343 /nfs/dbraw/zinc/48/23/43/643482343.db2.gz LKUWPWLAZWINRP-CHWSQXEVSA-N 0 1 280.299 2.127 20 5 CEBDMN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)O[C@H](C)c1nnc[nH]1 ZINC000853224818 643712142 /nfs/dbraw/zinc/71/21/42/643712142.db2.gz IKXRQBSUDNFULS-SECBINFHSA-N 0 1 290.279 2.248 20 5 CEBDMN CC(C)c1ccc(C(=O)OCc2c[nH]nn2)cc1[N+](=O)[O-] ZINC000838897760 644074201 /nfs/dbraw/zinc/07/42/01/644074201.db2.gz LFZQAWFPOLXADJ-UHFFFAOYSA-N 0 1 290.279 2.193 20 5 CEBDMN O=[N+]([O-])c1ccccc1CN(C[C@H](O)C1CC1)C1CC1 ZINC000838899402 644075953 /nfs/dbraw/zinc/07/59/53/644075953.db2.gz VKETZAJJESEEQC-HNNXBMFYSA-N 0 1 276.336 2.330 20 5 CEBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@@H]1c1ccc(F)cc1 ZINC000839487711 644239576 /nfs/dbraw/zinc/23/95/76/644239576.db2.gz LQVCBOGJOFFGAB-JHJVBQTASA-N 0 1 278.283 2.154 20 5 CEBDMN CC(C)Oc1ccc([C@H](C)NC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC000839508138 644245117 /nfs/dbraw/zinc/24/51/17/644245117.db2.gz DETZSGNGCMVWDM-ZLKJLUDKSA-N 0 1 292.335 2.316 20 5 CEBDMN C[C@@H](c1ccccc1F)N(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839508563 644245457 /nfs/dbraw/zinc/24/54/57/644245457.db2.gz HWIZOONNYCQZNO-MKPLZMMCSA-N 0 1 266.272 2.010 20 5 CEBDMN C[C@@H]1CC(OC(=O)c2ccc([N+](=O)[O-])[nH]2)C[C@@H](C)O1 ZINC000756037504 644596534 /nfs/dbraw/zinc/59/65/34/644596534.db2.gz KSPBZUSRTOBOMY-HTQZYQBOSA-N 0 1 268.269 2.036 20 5 CEBDMN CC(C)Oc1cccc([C@H](C)NC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC000839535968 644734506 /nfs/dbraw/zinc/73/45/06/644734506.db2.gz KFRLOORAHSZDNN-ZLKJLUDKSA-N 0 1 292.335 2.316 20 5 CEBDMN CCC[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839642841 644772182 /nfs/dbraw/zinc/77/21/82/644772182.db2.gz JAOQWWXXSUESEA-BFHYXJOUSA-N 0 1 276.336 2.179 20 5 CEBDMN C[C@@H](CCNC(=O)[C@@H]1CC1[N+](=O)[O-])CC(C)(C)C ZINC000839734600 644785303 /nfs/dbraw/zinc/78/53/03/644785303.db2.gz SUECIFCPGJQFAM-HBNTYKKESA-N 0 1 256.346 2.230 20 5 CEBDMN C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)N1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839781128 644815003 /nfs/dbraw/zinc/81/50/03/644815003.db2.gz JBHZUYHWNJFNKU-GBIGGCNCSA-N 0 1 288.347 2.445 20 5 CEBDMN C[C@H](C(=O)NO[C@@H]1CCCCO1)c1cccc([N+](=O)[O-])c1 ZINC000761680712 645307941 /nfs/dbraw/zinc/30/79/41/645307941.db2.gz VAFUOIJQMISGTA-GXFFZTMASA-N 0 1 294.307 2.273 20 5 CEBDMN NC(=O)C1(NCc2ccc(Cl)c([N+](=O)[O-])c2)CCCC1 ZINC000768553664 646138424 /nfs/dbraw/zinc/13/84/24/646138424.db2.gz DSHYFRVZUXPBNR-UHFFFAOYSA-N 0 1 297.742 2.136 20 5 CEBDMN COc1cc(F)c([N+](=O)[O-])c(N[C@@H]2CCN(C3CC3)C2)c1 ZINC000771138840 646495311 /nfs/dbraw/zinc/49/53/11/646495311.db2.gz HDTZAORDQMZNRW-SECBINFHSA-N 0 1 295.314 2.391 20 5 CEBDMN CCN(CC)CC(=O)N1CCc2cc(C)c([N+](=O)[O-])cc21 ZINC000773987053 646792905 /nfs/dbraw/zinc/79/29/05/646792905.db2.gz BNJJVWKJQCPIKL-UHFFFAOYSA-N 0 1 291.351 2.134 20 5 CEBDMN C[C@@H](N[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1ccnn1C ZINC000866612899 647842791 /nfs/dbraw/zinc/84/27/91/647842791.db2.gz DFRUSMOCXOSXBG-VHSXEESVSA-N 0 1 289.339 2.322 20 5 CEBDMN COCc1ccccc1COC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000785165589 647911312 /nfs/dbraw/zinc/91/13/12/647911312.db2.gz RLFBQHARHWVRSM-UHFFFAOYSA-N 0 1 290.275 2.426 20 5 CEBDMN CCCCCCNC(=O)[C@](C)(N)c1cccc([N+](=O)[O-])c1 ZINC000867966030 648004443 /nfs/dbraw/zinc/00/44/43/648004443.db2.gz LOOSKALGHKHCIV-OAHLLOKOSA-N 0 1 293.367 2.465 20 5 CEBDMN CCCCCCNC(=O)[C@@](C)(N)c1cccc([N+](=O)[O-])c1 ZINC000867966029 648004507 /nfs/dbraw/zinc/00/45/07/648004507.db2.gz LOOSKALGHKHCIV-HNNXBMFYSA-N 0 1 293.367 2.465 20 5 CEBDMN CCOc1ccc([C@@H]2CCCN2CC[N+](=O)[O-])cc1 ZINC000791054853 648477166 /nfs/dbraw/zinc/47/71/66/648477166.db2.gz ZYKMUYUERGJXAY-AWEZNQCLSA-N 0 1 264.325 2.499 20 5 CEBDMN C[C@@H](NCCN1CCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872052524 649255754 /nfs/dbraw/zinc/25/57/54/649255754.db2.gz OEQACXUOELYSDR-SNVBAGLBSA-N 0 1 267.304 2.090 20 5 CEBDMN C[C@H](N[C@@H]1CCC[C@H]1O)c1c(F)cccc1[N+](=O)[O-] ZINC000872078919 649265756 /nfs/dbraw/zinc/26/57/56/649265756.db2.gz UKTFOLMRTZSUHL-MKPLZMMCSA-N 0 1 268.288 2.298 20 5 CEBDMN O=[N+]([O-])c1ccc(Cl)cc1CN1C[C@@H]2COC[C@@H]2C1 ZINC000872266780 649334784 /nfs/dbraw/zinc/33/47/84/649334784.db2.gz KKDSERQDPKMNKG-PHIMTYICSA-N 0 1 282.727 2.326 20 5 CEBDMN CN1CCC[C@@H]2[C@H]1CCN2c1ncc([N+](=O)[O-])cc1Cl ZINC000872781733 649488861 /nfs/dbraw/zinc/48/88/61/649488861.db2.gz XWAHCWQHJLTSER-VXGBXAGGSA-N 0 1 296.758 2.316 20 5 CEBDMN C[C@H](CN(C)Cn1cc([N+](=O)[O-])cn1)C(C)(C)C ZINC000872817660 649496428 /nfs/dbraw/zinc/49/64/28/649496428.db2.gz AEDZTBUFPXTVBC-SNVBAGLBSA-N 0 1 254.334 2.363 20 5 CEBDMN Cc1c(CN[C@@H](C)[C@H](O)C(F)(F)F)cccc1[N+](=O)[O-] ZINC000873151527 649571097 /nfs/dbraw/zinc/57/10/97/649571097.db2.gz XPFNCALTFFAGOA-KWQFWETISA-N 0 1 292.257 2.305 20 5 CEBDMN COC(=O)[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000878993029 651223600 /nfs/dbraw/zinc/22/36/00/651223600.db2.gz VLFRTWDGMGVRHH-BETUJISGSA-N 0 1 292.335 2.287 20 5 CEBDMN C[N@@H+](CCn1ccc([N+](=O)[O-])n1)Cc1ccc2cc[nH]c2c1 ZINC000879726004 651343689 /nfs/dbraw/zinc/34/36/89/651343689.db2.gz IFKPKSILYOQFGJ-UHFFFAOYSA-N 0 1 299.334 2.405 20 5 CEBDMN C[C@@H]1CC[C@H](CO)N1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000880434869 651440177 /nfs/dbraw/zinc/44/01/77/651440177.db2.gz IPXVOLNAAAZKBI-BXKDBHETSA-N 0 1 268.288 2.079 20 5 CEBDMN CCN1CC[C@@H]1CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000882486572 652097633 /nfs/dbraw/zinc/09/76/33/652097633.db2.gz MBFKSWKYIAWGCF-LLVKDONJSA-N 0 1 297.742 2.072 20 5 CEBDMN CSCc1n[nH]c(CNc2ccc([N+](=O)[O-])cc2)n1 ZINC000884695323 652968070 /nfs/dbraw/zinc/96/80/70/652968070.db2.gz SYCRMNPWWQBYLT-UHFFFAOYSA-N 0 1 279.325 2.188 20 5 CEBDMN CSCc1nnc(CNc2ccc([N+](=O)[O-])cc2)[nH]1 ZINC000884695323 652968072 /nfs/dbraw/zinc/96/80/72/652968072.db2.gz SYCRMNPWWQBYLT-UHFFFAOYSA-N 0 1 279.325 2.188 20 5 CEBDMN CSCc1n[nH]c(CNc2cccc(F)c2[N+](=O)[O-])n1 ZINC000884694945 652968109 /nfs/dbraw/zinc/96/81/09/652968109.db2.gz CISJIPYBGDHOSZ-UHFFFAOYSA-N 0 1 297.315 2.327 20 5 CEBDMN CSCc1nnc(CNc2cccc(F)c2[N+](=O)[O-])[nH]1 ZINC000884694945 652968111 /nfs/dbraw/zinc/96/81/11/652968111.db2.gz CISJIPYBGDHOSZ-UHFFFAOYSA-N 0 1 297.315 2.327 20 5 CEBDMN CC(C)CN1CCN(c2cc(Cl)ncc2[N+](=O)[O-])CC1 ZINC001164653269 719330727 /nfs/dbraw/zinc/33/07/27/719330727.db2.gz SZCNFINGJKWFKY-UHFFFAOYSA-N 0 1 298.774 2.421 20 5 CEBDMN Cc1cc(C)c([N+](=O)[O-])c(N2CCN(CC(C)C)CC2)n1 ZINC000611615605 719334558 /nfs/dbraw/zinc/33/45/58/719334558.db2.gz JOXRYAPQUQVETJ-UHFFFAOYSA-N 0 1 292.383 2.385 20 5 CEBDMN C[C@@H]1OCC[C@]1(C)NCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000300576359 806509738 /nfs/dbraw/zinc/50/97/38/806509738.db2.gz GGTQMWLMNHMPNI-ZANVPECISA-N 0 1 295.295 2.160 20 5 CEBDMN Cc1nn(C)cc1CN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000125526682 804091760 /nfs/dbraw/zinc/09/17/60/804091760.db2.gz UACHVVMHHUNJTC-SNVBAGLBSA-N 0 1 274.324 2.488 20 5 CEBDMN O=[N+]([O-])c1cc(F)ccc1CN1CC[C@](O)(C2CC2)C1 ZINC001118558363 815024942 /nfs/dbraw/zinc/02/49/42/815024942.db2.gz OUSLWAHJSMQCQM-CQSZACIVSA-N 0 1 280.299 2.081 20 5 CEBDMN CCCCOC(=O)[C@H](C)Oc1cc(O)ccc1[N+](=O)[O-] ZINC001225492702 804885628 /nfs/dbraw/zinc/88/56/28/804885628.db2.gz ZRRASAIXBADQJJ-VIFPVBQESA-N 0 1 283.280 2.411 20 5 CEBDMN CCN1CC[C@@H](Oc2c(F)c(F)ccc2[N+](=O)[O-])C1 ZINC001225960081 805392132 /nfs/dbraw/zinc/39/21/32/805392132.db2.gz OWBJXNKZCUKUNU-MRVPVSSYSA-N 0 1 272.251 2.346 20 5 CEBDMN CC(C)(O)[C@@H]1CCN(Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000721776111 805401170 /nfs/dbraw/zinc/40/11/70/805401170.db2.gz KEUVZNASBVYDRD-LLVKDONJSA-N 0 1 282.315 2.327 20 5 CEBDMN C[C@@H](NCC[N+](=O)[O-])c1cccc(N2CCCC2)c1 ZINC001119696108 815150891 /nfs/dbraw/zinc/15/08/91/815150891.db2.gz OSNGUJXJOBGMJC-GFCCVEGCSA-N 0 1 263.341 2.214 20 5 CEBDMN Cc1nc2cc(CNCC[N+](=O)[O-])ccc2n1C1CC1 ZINC001120512493 815231803 /nfs/dbraw/zinc/23/18/03/815231803.db2.gz COMVMDXWNNHSMZ-UHFFFAOYSA-N 0 1 274.324 2.046 20 5 CEBDMN O=[N+]([O-])c1ccc(Cl)cc1CNCCOCCF ZINC000702549575 809564958 /nfs/dbraw/zinc/56/49/58/809564958.db2.gz ZYXUKGXMZCEPSE-UHFFFAOYSA-N 0 1 276.695 2.324 20 5 CEBDMN C[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])c(F)c2)[C@@H]1CO ZINC000708478367 809920373 /nfs/dbraw/zinc/92/03/73/809920373.db2.gz PNBVAUZJYXAKKW-QMTHXVAHSA-N 0 1 282.315 2.327 20 5 CEBDMN CN1CC(CNc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC001170254760 812373419 /nfs/dbraw/zinc/37/34/19/812373419.db2.gz QZMHXRCOSAZXQG-UHFFFAOYSA-N 0 1 255.705 2.222 20 5 CEBDMN CCCN(C)CC(=O)Nc1cc(C)cc([N+](=O)[O-])c1 ZINC001124043749 815591024 /nfs/dbraw/zinc/59/10/24/815591024.db2.gz LMSHINBPFOPDSG-UHFFFAOYSA-N 0 1 265.313 2.184 20 5 CEBDMN C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@H](C)c1nncn1C ZINC000449126917 282110445 /nfs/dbraw/zinc/11/04/45/282110445.db2.gz NUAUPYDDLQYLOJ-GHMZBOCLSA-N 0 1 289.339 2.005 20 5 CEBDMN CN1CCC[C@@H]1CNc1c(F)cc([N+](=O)[O-])cc1F ZINC000121694616 365604779 /nfs/dbraw/zinc/60/47/79/365604779.db2.gz TUGXGBHTUKGSSX-MRVPVSSYSA-N 0 1 271.267 2.379 20 5 CEBDMN C[C@H](Cc1ccccc1[N+](=O)[O-])N(C)[C@H](C)C[S@](C)=O ZINC000449239438 282154080 /nfs/dbraw/zinc/15/40/80/282154080.db2.gz JMYRUYVNIVTCPU-HTGLOVNISA-N 0 1 298.408 2.225 20 5 CEBDMN Cc1n[nH]cc1CN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000038011309 361978799 /nfs/dbraw/zinc/97/87/99/361978799.db2.gz SODRUHGZYMGVHD-VIFPVBQESA-N 0 1 260.297 2.477 20 5 CEBDMN C[C@@H]1CCc2[nH]n(-c3ccc([N+](=O)[O-])cc3)c(=O)c21 ZINC000601935054 346931533 /nfs/dbraw/zinc/93/15/33/346931533.db2.gz OZYZUHSXECWNPG-PRHODGIISA-N 0 1 259.265 2.344 20 5 CEBDMN C[C@H]1CCc2c(=O)n(-c3ccc([N+](=O)[O-])cc3F)[nH]c21 ZINC000601941370 346934577 /nfs/dbraw/zinc/93/45/77/346934577.db2.gz AEKRFBQHICGFAR-CBAPKCEASA-N 0 1 277.255 2.483 20 5 CEBDMN COc1ccc(NC(=O)CN(C)CC(C)C)c([N+](=O)[O-])c1 ZINC000065962414 343705316 /nfs/dbraw/zinc/70/53/16/343705316.db2.gz GRXRWFGMVPHCHN-UHFFFAOYSA-N 0 1 295.339 2.130 20 5 CEBDMN CC[C@H]1CN(Cc2cc(O)ccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000092486782 344191435 /nfs/dbraw/zinc/19/14/35/344191435.db2.gz MHLDDGSTMPQVPX-GWCFXTLKSA-N 0 1 280.324 2.300 20 5 CEBDMN Cn1cc(CN2CCC[C@H]3CCC[C@H]32)c([N+](=O)[O-])n1 ZINC000602454623 347040785 /nfs/dbraw/zinc/04/07/85/347040785.db2.gz OKNNDTHRJKIWHH-ZYHUDNBSSA-N 0 1 264.329 2.093 20 5 CEBDMN C[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)CC[N@H+]1C ZINC000158189596 344450202 /nfs/dbraw/zinc/45/02/02/344450202.db2.gz RLFKXWOVRMVXLP-ONGXEEELSA-N 0 1 293.323 2.188 20 5 CEBDMN COc1cc(CNc2cc(C)on2)cc([N+](=O)[O-])c1O ZINC000181468285 344506772 /nfs/dbraw/zinc/50/67/72/344506772.db2.gz BJPZDQGIROGAHE-UHFFFAOYSA-N 0 1 279.252 2.218 20 5 CEBDMN Cc1ccc([N+](=O)[O-])c(-c2nc([C@H]3CCCN3)no2)c1 ZINC000228560501 344561116 /nfs/dbraw/zinc/56/11/16/344561116.db2.gz FQUGKQKBDSKYST-SNVBAGLBSA-N 0 1 274.280 2.378 20 5 CEBDMN C[C@@H](O)CN(C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000051837641 362440918 /nfs/dbraw/zinc/44/09/18/362440918.db2.gz RNIIQEGWPQKPHO-MRVPVSSYSA-N 0 1 258.705 2.061 20 5 CEBDMN COCCNCc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602505977 347059990 /nfs/dbraw/zinc/05/99/90/347059990.db2.gz RCHVVAJHRSFQHM-UHFFFAOYSA-N 0 1 278.230 2.350 20 5 CEBDMN C[C@@H]1C[C@@H](O)CN(C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000449764922 282359611 /nfs/dbraw/zinc/35/96/11/282359611.db2.gz FJBBYWGDMWRTST-UDGJJRABSA-N 0 1 276.336 2.311 20 5 CEBDMN CCN(Cc1cc(C(=O)OC)ccc1[N+](=O)[O-])C1CC1 ZINC000589494937 345084299 /nfs/dbraw/zinc/08/42/99/345084299.db2.gz ABPXDVMUXSPRGK-UHFFFAOYSA-N 0 1 278.308 2.366 20 5 CEBDMN CC1(C)CN(Cc2cccc([N+](=O)[O-])c2)[C@@H]2COC[C@@H]21 ZINC000590663651 345157435 /nfs/dbraw/zinc/15/74/35/345157435.db2.gz FZWMYGHZGDCANU-UONOGXRCSA-N 0 1 276.336 2.452 20 5 CEBDMN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H]1CCCN(C)C1 ZINC000591529226 345262992 /nfs/dbraw/zinc/26/29/92/345262992.db2.gz IQQKVDZXIKQYIQ-GFCCVEGCSA-N 0 1 291.351 2.036 20 5 CEBDMN CC[C@H]1CN(C)CCN1Cc1c(F)cccc1[N+](=O)[O-] ZINC000591850154 345288064 /nfs/dbraw/zinc/28/80/64/345288064.db2.gz WBYCRMGLTPKIQX-NSHDSACASA-N 0 1 281.331 2.260 20 5 CEBDMN O=C(N[C@@H]1CC[C@H]2C[C@H]2C1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000592902419 345413707 /nfs/dbraw/zinc/41/37/07/345413707.db2.gz GDECTDHNGNARAU-ATZCPNFKSA-N 0 1 276.292 2.219 20 5 CEBDMN C[C@@H]1[C@@H](C)N(C(=O)c2csc([N+](=O)[O-])c2)[C@@H](C)CN1C ZINC000593187905 345451135 /nfs/dbraw/zinc/45/11/35/345451135.db2.gz VVZYKIXEYKIBNQ-IVZWLZJFSA-N 0 1 297.380 2.209 20 5 CEBDMN CC[C@H](C(=O)[O-])[N@@H+](C)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000593331391 345467509 /nfs/dbraw/zinc/46/75/09/345467509.db2.gz IKUBUVUMSDTBRH-LLVKDONJSA-N 0 1 266.297 2.198 20 5 CEBDMN COc1cc([N+](=O)[O-])ccc1C[N@@H+](CCC(=O)[O-])C(C)C ZINC000593747101 345531928 /nfs/dbraw/zinc/53/19/28/345531928.db2.gz RYFSVFRMVDSSSE-UHFFFAOYSA-N 0 1 296.323 2.289 20 5 CEBDMN O=[N+]([O-])c1ccc(NCc2n[nH]c([C@H]3CCCO3)n2)s1 ZINC000594589482 345652522 /nfs/dbraw/zinc/65/25/22/345652522.db2.gz LAUSSMUUKRSHCL-SSDOTTSWSA-N 0 1 295.324 2.238 20 5 CEBDMN CCc1nc([C@H](C)N(C)Cc2ccccc2[N+](=O)[O-])n[nH]1 ZINC000595291052 345755497 /nfs/dbraw/zinc/75/54/97/345755497.db2.gz WSINKQOOGBTDSG-JTQLQIEISA-N 0 1 289.339 2.468 20 5 CEBDMN Cc1noc(CN2C[C@H](C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000595293065 345756110 /nfs/dbraw/zinc/75/61/10/345756110.db2.gz XIQDVBFIWRHCNH-DTORHVGOSA-N 0 1 253.302 2.369 20 5 CEBDMN C[C@@H]1CN(Cc2ccc(F)cc2[N+](=O)[O-])C[C@H](C)[C@H]1O ZINC000595734407 345862537 /nfs/dbraw/zinc/86/25/37/345862537.db2.gz ZNVUNUCWRWZQLT-MSRIBSCDSA-N 0 1 282.315 2.183 20 5 CEBDMN CC[C@@H]1CCCC[N@H+]1CCNc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596126040 345945261 /nfs/dbraw/zinc/94/52/61/345945261.db2.gz HXBSLUVAXROBND-LLVKDONJSA-N 0 1 294.355 2.372 20 5 CEBDMN CN(Cc1cnc[nH]1)c1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC000596312314 345996660 /nfs/dbraw/zinc/99/66/60/345996660.db2.gz KPMUTBFNTCUIRM-UHFFFAOYSA-N 0 1 287.323 2.228 20 5 CEBDMN O=[N+]([O-])c1ccccc1/C=C\CN1CC[C@@]2(O)C[C@H]2C1 ZINC000597211205 346149938 /nfs/dbraw/zinc/14/99/38/346149938.db2.gz LIWMLPCOEXAYJZ-HFBOFBSRSA-N 0 1 274.320 2.065 20 5 CEBDMN CC(=Cc1cccc([N+](=O)[O-])c1)C[N@@H+]1CCc2nn[nH]c2C1 ZINC000597250030 346162514 /nfs/dbraw/zinc/16/25/14/346162514.db2.gz QMSICAMYSFXAME-YRNVUSSQSA-N 0 1 299.334 2.175 20 5 CEBDMN Cc1[nH]nc(C(=O)N2[C@@H](C)CCC2(C)C)c1[N+](=O)[O-] ZINC000597753311 346226771 /nfs/dbraw/zinc/22/67/71/346226771.db2.gz QSDYLABLOBEUIV-ZETCQYMHSA-N 0 1 266.301 2.029 20 5 CEBDMN COc1cc(CN2CC[C@H](C)[C@@H](CO)C2)ccc1[N+](=O)[O-] ZINC000598649148 346393006 /nfs/dbraw/zinc/39/30/06/346393006.db2.gz WPUSZKJMHNKURK-WCQYABFASA-N 0 1 294.351 2.054 20 5 CEBDMN O=C(NCC(C1CCC1)C1CCC1)c1n[nH]cc1[N+](=O)[O-] ZINC000600167207 346612019 /nfs/dbraw/zinc/61/20/19/346612019.db2.gz PEGQQHLEQWFKHK-UHFFFAOYSA-N 0 1 292.339 2.264 20 5 CEBDMN COCC1(C2CC2)CN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000602734479 347177390 /nfs/dbraw/zinc/17/73/90/347177390.db2.gz ZQDPAIBOOCOLLK-UHFFFAOYSA-N 0 1 276.336 2.453 20 5 CEBDMN C[C@@H](NC(=O)[C@H]1CCCCN1C)c1cccc([N+](=O)[O-])c1 ZINC000609547490 347642795 /nfs/dbraw/zinc/64/27/95/347642795.db2.gz HCVUGFRQNZLCBX-BXUZGUMPSA-N 0 1 291.351 2.256 20 5 CEBDMN C[C@@H](N(C)Cc1c([N+](=O)[O-])ncn1C)C(C)(C)C ZINC000610481342 347684045 /nfs/dbraw/zinc/68/40/45/347684045.db2.gz CTVNKPWOVJWSLG-SECBINFHSA-N 0 1 254.334 2.195 20 5 CEBDMN C[C@@H]1[C@H](C)N(c2ncc(Cl)cc2[N+](=O)[O-])CCN1C ZINC000611298928 347765058 /nfs/dbraw/zinc/76/50/58/347765058.db2.gz CAZDFYBRJCPPLG-BDAKNGLRSA-N 0 1 284.747 2.172 20 5 CEBDMN C[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)[C@@H]1C(=O)[O-] ZINC000336849458 365925277 /nfs/dbraw/zinc/92/52/77/365925277.db2.gz ROAPGAZSDROJFK-RNCFNFMXSA-N 0 1 296.298 2.419 20 5 CEBDMN COc1cc(CNCCOC(C)C)c([N+](=O)[O-])cc1OC ZINC000612593528 347905580 /nfs/dbraw/zinc/90/55/80/347905580.db2.gz SSQBTAKOYHVDGO-UHFFFAOYSA-N 0 1 298.339 2.127 20 5 CEBDMN C[C@@]1(CO)CCCN1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000612745184 347922773 /nfs/dbraw/zinc/92/27/73/347922773.db2.gz BQUWPMVTCZLKAR-AWEZNQCLSA-N 0 1 291.307 2.083 20 5 CEBDMN CC(C)C[C@@H](N)c1noc(-c2ccc(N)c([N+](=O)[O-])c2)n1 ZINC000339368539 215128456 /nfs/dbraw/zinc/12/84/56/215128456.db2.gz WIAHOHUAZDJLKU-SNVBAGLBSA-N 0 1 291.311 2.273 20 5 CEBDMN COC1(CO)CCN([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000618551757 348973290 /nfs/dbraw/zinc/97/32/90/348973290.db2.gz WANXBCXXVKEKHQ-GFCCVEGCSA-N 0 1 294.351 2.129 20 5 CEBDMN Cn1ncc(Nc2ncc([N+](=O)[O-])s2)c1C(F)F ZINC000619696810 349219223 /nfs/dbraw/zinc/21/92/23/349219223.db2.gz LTPGXNMJDFMZRD-UHFFFAOYSA-N 0 1 275.240 2.466 20 5 CEBDMN O=[N+]([O-])c1ccc(CN2CCCO[C@H](CF)C2)cc1 ZINC000411856012 233290139 /nfs/dbraw/zinc/29/01/39/233290139.db2.gz QLOMKDJEKFTZLD-CYBMUJFWSA-N 0 1 268.288 2.155 20 5 CEBDMN C[C@@H]1[C@H](CO)CCCN1Cc1ccc([N+](=O)[O-])cc1F ZINC000412101317 233340564 /nfs/dbraw/zinc/34/05/64/233340564.db2.gz YQNUUWZCTSSGJB-PWSUYJOCSA-N 0 1 282.315 2.327 20 5 CEBDMN Cn1cc2c(n1)CCC[C@H]2NCc1ccc([N+](=O)[O-])cc1 ZINC000280020268 282696797 /nfs/dbraw/zinc/69/67/97/282696797.db2.gz HJVMUZFVQSTPSK-CQSZACIVSA-N 0 1 286.335 2.496 20 5 CEBDMN CC(C)[C@@H](CO)NCc1c(Cl)cccc1[N+](=O)[O-] ZINC000092395053 180377033 /nfs/dbraw/zinc/37/70/33/180377033.db2.gz HLDYRHUQOGCQHN-LLVKDONJSA-N 0 1 272.732 2.355 20 5 CEBDMN O=[N+]([O-])c1ccc(CN(CCn2cccn2)C2CC2)cc1 ZINC000130595218 365972351 /nfs/dbraw/zinc/97/23/51/365972351.db2.gz HOCDVINMYANPNF-UHFFFAOYSA-N 0 1 286.335 2.456 20 5 CEBDMN CCN1CCCN(C(=O)c2cccc(C)c2[N+](=O)[O-])CC1 ZINC000110006955 186282143 /nfs/dbraw/zinc/28/21/43/186282143.db2.gz WNJQDDGRRRKZLB-UHFFFAOYSA-N 0 1 291.351 2.071 20 5 CEBDMN CC[C@H](C)N1CCN(c2c([N+](=O)[O-])c(C)nn2CC)CC1 ZINC000450853367 282802838 /nfs/dbraw/zinc/80/28/38/282802838.db2.gz BIWYTIKSJJUHEB-NSHDSACASA-N 0 1 295.387 2.040 20 5 CEBDMN COc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H]1C[C@@H](C)O ZINC000152653048 188034512 /nfs/dbraw/zinc/03/45/12/188034512.db2.gz WRBLERNRVNJKRS-DGCLKSJQSA-N 0 1 294.351 2.339 20 5 CEBDMN CCOCCO[C@H]1CCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000157827597 188341589 /nfs/dbraw/zinc/34/15/89/188341589.db2.gz MUGQGCGUEKBYAD-HNNXBMFYSA-N 0 1 294.351 2.222 20 5 CEBDMN Cc1ccc(CN(C)[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000132071256 366115595 /nfs/dbraw/zinc/11/55/95/366115595.db2.gz PHUCAFVHMZNWKI-GFCCVEGCSA-N 0 1 250.298 2.124 20 5 CEBDMN CCc1[nH]nc(C(=O)N2Cc3ccccc3C2)c1[N+](=O)[O-] ZINC000171825233 188762154 /nfs/dbraw/zinc/76/21/54/188762154.db2.gz VWKYHGZQSYYOTN-UHFFFAOYSA-N 0 1 286.291 2.036 20 5 CEBDMN CCONC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000273819828 192320867 /nfs/dbraw/zinc/32/08/67/192320867.db2.gz CNYYJEBZBLCRNJ-UHFFFAOYSA-N 0 1 270.260 2.079 20 5 CEBDMN COc1ccc([N+](=O)[O-])cc1CN(C)[C@@H](CO)C(C)(C)C ZINC000134369505 366312429 /nfs/dbraw/zinc/31/24/29/366312429.db2.gz AMVHRDCDKVFPGB-AWEZNQCLSA-N 0 1 296.367 2.442 20 5 CEBDMN Cc1ccc([C@H](C)N[C@H](C)C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000134892668 366369489 /nfs/dbraw/zinc/36/94/89/366369489.db2.gz VLQUWNQIFWKINC-WDEREUQCSA-N 0 1 291.351 2.221 20 5 CEBDMN CC(C)c1nc(CNCc2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000294875351 199225815 /nfs/dbraw/zinc/22/58/15/199225815.db2.gz VBZQWLOGZIXCTN-UHFFFAOYSA-N 0 1 275.312 2.126 20 5 CEBDMN CC[C@@H]1CCCC[C@@H]1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000135837912 366476866 /nfs/dbraw/zinc/47/68/66/366476866.db2.gz OQNGXQGCCYGVNT-BDAKNGLRSA-N 0 1 266.301 2.017 20 5 CEBDMN O=[N+]([O-])c1ccc(NCCc2nc[nH]n2)c(Cl)c1 ZINC000080590025 363671688 /nfs/dbraw/zinc/67/16/88/363671688.db2.gz ODWSSUVXDMQJEH-UHFFFAOYSA-N 0 1 267.676 2.021 20 5 CEBDMN CCOC(=O)C[C@H](C)[N@H+](C)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000339085436 366647169 /nfs/dbraw/zinc/64/71/69/366647169.db2.gz WNKIULBUPAHVPN-JTQLQIEISA-N 0 1 296.323 2.074 20 5 CEBDMN CCOC(=O)C[C@H](C)[N@@H+](C)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000339085436 366647172 /nfs/dbraw/zinc/64/71/72/366647172.db2.gz WNKIULBUPAHVPN-JTQLQIEISA-N 0 1 296.323 2.074 20 5 CEBDMN C[C@H]1CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)[C@H]1C ZINC000177055009 189025021 /nfs/dbraw/zinc/02/50/21/189025021.db2.gz IJBFPKPZWDTCOY-IUCAKERBSA-N 0 1 288.307 2.342 20 5 CEBDMN CCO[C@@H]1COC[C@H]1N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000453358628 283536104 /nfs/dbraw/zinc/53/61/04/283536104.db2.gz ONPZQFAYFGVMKA-NJZAAPMLSA-N 0 1 294.351 2.358 20 5 CEBDMN CCc1[nH]nc(C(=O)N2CC[C@@H](C)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000178895672 189153026 /nfs/dbraw/zinc/15/30/26/189153026.db2.gz MJYKUOHNKFAKEX-NXEZZACHSA-N 0 1 294.355 2.389 20 5 CEBDMN CC[C@H](C)NC(=O)CN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180427374 189254547 /nfs/dbraw/zinc/25/45/47/189254547.db2.gz NLIWOQSQKJZYPY-QWRGUYRKSA-N 0 1 279.340 2.160 20 5 CEBDMN O=[N+]([O-])c1cccc(F)c1CN1CC[C@]2(CCOC2)C1 ZINC000153895251 366742586 /nfs/dbraw/zinc/74/25/86/366742586.db2.gz KAHWIJJEAJPZHC-AWEZNQCLSA-N 0 1 280.299 2.346 20 5 CEBDMN Cc1cc([N+](=O)[O-])ccc1CN(C)CCNC(=O)C(C)C ZINC000183399220 189358177 /nfs/dbraw/zinc/35/81/77/189358177.db2.gz OCYUYWKTNGRVRT-UHFFFAOYSA-N 0 1 293.367 2.107 20 5 CEBDMN O=[N+]([O-])c1ccc(O)cc1CN1CC(C(F)(F)F)C1 ZINC000582103231 366862739 /nfs/dbraw/zinc/86/27/39/366862739.db2.gz ANFLUKLBMNYUSE-UHFFFAOYSA-N 0 1 276.214 2.295 20 5 CEBDMN CC1(C)CN(Cc2cccc([N+](=O)[O-])c2)CC[C@H]1O ZINC000275494770 193057116 /nfs/dbraw/zinc/05/71/16/193057116.db2.gz QCVQROBUZXCVBF-CYBMUJFWSA-N 0 1 264.325 2.188 20 5 CEBDMN CC1(C)CN(Cc2ccc([N+](=O)[O-])cc2)CC[C@H]1O ZINC000275537078 193070799 /nfs/dbraw/zinc/07/07/99/193070799.db2.gz YBCNVEGAHNSOQS-CYBMUJFWSA-N 0 1 264.325 2.188 20 5 CEBDMN COc1cc(CNc2cncc(F)c2)cc([N+](=O)[O-])c1O ZINC000341351502 367298492 /nfs/dbraw/zinc/29/84/92/367298492.db2.gz KRBJWZANYPRPSX-UHFFFAOYSA-N 0 1 293.254 2.455 20 5 CEBDMN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)CN(C)C(C)C ZINC000175584545 368152994 /nfs/dbraw/zinc/15/29/94/368152994.db2.gz HYSXBDXLRYUDPN-UHFFFAOYSA-N 0 1 279.340 2.490 20 5 CEBDMN CCCCNC(=O)CN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000181816350 368497583 /nfs/dbraw/zinc/49/75/83/368497583.db2.gz HKCCOIKZIKTUFH-GFCCVEGCSA-N 0 1 293.367 2.470 20 5 CEBDMN COc1ccc([N+](=O)[O-])cc1CN1CCC(C)(CO)CC1 ZINC000186976295 369079776 /nfs/dbraw/zinc/07/97/76/369079776.db2.gz VNOIENXQSKGHPM-UHFFFAOYSA-N 0 1 294.351 2.198 20 5 CEBDMN O=[N+]([O-])c1ccc(-c2noc([C@H]3C[C@H]3c3nc[nH]n3)n2)cc1 ZINC000349887052 369438078 /nfs/dbraw/zinc/43/80/78/369438078.db2.gz FNIDGQMKGDTVTP-ZJUUUORDSA-N 0 1 298.262 2.034 20 5 CEBDMN C[C@@H]1CN(C/C=C/c2ccccc2[N+](=O)[O-])CC[C@@H]1O ZINC000190050750 369592544 /nfs/dbraw/zinc/59/25/44/369592544.db2.gz WFJMYKIVDPJDQM-NBOVPLECSA-N 0 1 276.336 2.311 20 5 CEBDMN C[C@@H]1CC(O)C[C@H](C)N1Cc1cccc([N+](=O)[O-])c1 ZINC000191266887 369695194 /nfs/dbraw/zinc/69/51/94/369695194.db2.gz DXCUYGHABZAGOA-BVUQATHDSA-N 0 1 264.325 2.329 20 5 CEBDMN CCc1[nH]nc(C(=O)N2CCC[C@@H](C)[C@@H]2C)c1[N+](=O)[O-] ZINC000192619405 369835152 /nfs/dbraw/zinc/83/51/52/369835152.db2.gz UPHMJVHSDILLGI-BDAKNGLRSA-N 0 1 280.328 2.141 20 5 CEBDMN CCOc1ccc([N+](=O)[O-])cc1CN(C)[C@H]1CCC[C@H]1O ZINC000352702374 369844905 /nfs/dbraw/zinc/84/49/05/369844905.db2.gz XRCBSOXIGFPXTO-UONOGXRCSA-N 0 1 294.351 2.339 20 5 CEBDMN CCOc1ccc([N+](=O)[O-])cc1CN(C)[C@@H]1CCC[C@@H]1O ZINC000352702373 369845935 /nfs/dbraw/zinc/84/59/35/369845935.db2.gz XRCBSOXIGFPXTO-KGLIPLIRSA-N 0 1 294.351 2.339 20 5 CEBDMN C[C@@H]1CCC[C@@H](CNC(=O)c2n[nH]cc2[N+](=O)[O-])[C@@H]1C ZINC000361241756 371735347 /nfs/dbraw/zinc/73/53/47/371735347.db2.gz CHTZXNIJBMMOCC-BBBLOLIVSA-N 0 1 280.328 2.120 20 5 CEBDMN CO[C@@H]1CCN(Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000361353294 371801792 /nfs/dbraw/zinc/80/17/92/371801792.db2.gz BCXOJBURESIMLJ-GFCCVEGCSA-N 0 1 250.298 2.124 20 5 CEBDMN Cc1ccc2c(c1)CCN(CCn1cc([N+](=O)[O-])cn1)C2 ZINC000361844784 372095181 /nfs/dbraw/zinc/09/51/81/372095181.db2.gz XPVRRRYZJVGAFF-UHFFFAOYSA-N 0 1 286.335 2.158 20 5 CEBDMN CCO[C@@H]1COCC[C@@H]1NCc1c(F)cccc1[N+](=O)[O-] ZINC000362021445 372174866 /nfs/dbraw/zinc/17/48/66/372174866.db2.gz ZBNQMKOLADELEF-GXTWGEPZSA-N 0 1 298.314 2.018 20 5 CEBDMN O=[N+]([O-])c1cc(O)cc(-c2nc(CC3CC3)no2)c1 ZINC000362715335 372500574 /nfs/dbraw/zinc/50/05/74/372500574.db2.gz ZUFGRUCNIIUOFG-UHFFFAOYSA-N 0 1 261.237 2.303 20 5 CEBDMN O=C(Nc1ccc2nc[nH]c2c1)c1cc([N+](=O)[O-])c[nH]1 ZINC000344449830 217194113 /nfs/dbraw/zinc/19/41/13/217194113.db2.gz OPHSMQVJBREHIK-UHFFFAOYSA-N 0 1 271.236 2.052 20 5 CEBDMN C[C@@H]1CSc2ccccc2CN1C(=O)[C@H]1CC1[N+](=O)[O-] ZINC000364371299 372737831 /nfs/dbraw/zinc/73/78/31/372737831.db2.gz WITHHLIGPCQVPY-ADEWGFFLSA-N 0 1 292.360 2.175 20 5 CEBDMN CC(C)c1nc([C@@H](C)Nc2ccc([N+](=O)[O-])cn2)n[nH]1 ZINC000270732993 372924806 /nfs/dbraw/zinc/92/48/06/372924806.db2.gz RNIFEKJAYPIKBN-MRVPVSSYSA-N 0 1 276.300 2.404 20 5 CEBDMN CC(C)c1nc([C@H](C)Nc2ncccc2[N+](=O)[O-])n[nH]1 ZINC000270716531 372916662 /nfs/dbraw/zinc/91/66/62/372916662.db2.gz MVZNSYRQFSNKCY-QMMMGPOBSA-N 0 1 276.300 2.404 20 5 CEBDMN O=[N+]([O-])c1cc(Cl)ccc1CCNCc1ncc[nH]1 ZINC000272138173 373324693 /nfs/dbraw/zinc/32/46/93/373324693.db2.gz BFUGRYNERQRJAF-UHFFFAOYSA-N 0 1 280.715 2.304 20 5 CEBDMN Cc1ccc(C[C@@H]2CCCN2C(=O)[C@H]2CC2[N+](=O)[O-])cc1 ZINC000369301551 373380915 /nfs/dbraw/zinc/38/09/15/373380915.db2.gz JMJCKKMVAGHOOO-SOUVJXGZSA-N 0 1 288.347 2.194 20 5 CEBDMN CSC[C@H]1CCCN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272661590 373604973 /nfs/dbraw/zinc/60/49/73/373604973.db2.gz HPTOTAQPUSTPHT-SNVBAGLBSA-N 0 1 296.348 2.268 20 5 CEBDMN O=[N+]([O-])c1ccc(CN2CCC[C@H]3OCC[C@H]32)cc1 ZINC000373489114 374365655 /nfs/dbraw/zinc/36/56/55/374365655.db2.gz JLAXIRMOGRQOQN-ZIAGYGMSSA-N 0 1 262.309 2.348 20 5 CEBDMN CC[C@H](C)[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])C(F)(F)F ZINC000278155021 374736218 /nfs/dbraw/zinc/73/62/18/374736218.db2.gz OTTHXXLSQIEZIB-YLWLKBPMSA-N 0 1 294.233 2.025 20 5 CEBDMN C[C@H]1CCN(Cc2c([N+](=O)[O-])ncn2C)C[C@@H](C)C1 ZINC000408437191 375482163 /nfs/dbraw/zinc/48/21/63/375482163.db2.gz QKDBTCMUTJYQGZ-QWRGUYRKSA-N 0 1 266.345 2.196 20 5 CEBDMN CCOC(=O)[C@H](C)[C@@H](C)NCc1ccc([N+](=O)[O-])cc1F ZINC000283155256 375666265 /nfs/dbraw/zinc/66/62/65/375666265.db2.gz OSRUGBMJGVSUIC-NXEZZACHSA-N 0 1 298.314 2.411 20 5 CEBDMN CC(C)(C)[C@@H]1CCC[C@@H]1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000412807769 375708833 /nfs/dbraw/zinc/70/88/33/375708833.db2.gz GGVSDSQPJHRPRI-BDAKNGLRSA-N 0 1 280.328 2.263 20 5 CEBDMN C[C@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2F)[C@H]1CO ZINC000305744347 376468774 /nfs/dbraw/zinc/46/87/74/376468774.db2.gz UNXSJHBZXZBHDB-HZMBPMFUSA-N 0 1 282.315 2.327 20 5 CEBDMN Cc1c(C[N@H+]2CC[C@@H](O)C2(C)C)cccc1[N+](=O)[O-] ZINC000311802944 376687524 /nfs/dbraw/zinc/68/75/24/376687524.db2.gz BWIFCRROURCOFI-CYBMUJFWSA-N 0 1 264.325 2.248 20 5 CEBDMN C[C@]1(NCc2ccc([N+](=O)[O-])cc2F)CCCOC1 ZINC000311841531 376688989 /nfs/dbraw/zinc/68/89/89/376688989.db2.gz GZROEEYPVZNBSS-ZDUSSCGKSA-N 0 1 268.288 2.393 20 5 CEBDMN CN(CCc1ccccc1[N+](=O)[O-])Cc1cnccn1 ZINC000560612587 376767825 /nfs/dbraw/zinc/76/78/25/376767825.db2.gz YAFVMZQULSKFPV-UHFFFAOYSA-N 0 1 272.308 2.059 20 5 CEBDMN CC1(C)CCN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000561402472 376807016 /nfs/dbraw/zinc/80/70/16/376807016.db2.gz FKNAKWJVNCCPGZ-UHFFFAOYSA-N 0 1 274.280 2.096 20 5 CEBDMN CC(C)c1ccc(CN[C@H]2CC(=O)N(C)C2)cc1[N+](=O)[O-] ZINC000330434274 377130152 /nfs/dbraw/zinc/13/01/52/377130152.db2.gz PRAOWLUSTDOQCK-LBPRGKRZSA-N 0 1 291.351 2.039 20 5 CEBDMN CC(C)c1nc(CN2CCc3c2cccc3[N+](=O)[O-])n[nH]1 ZINC000293291385 377507896 /nfs/dbraw/zinc/50/78/96/377507896.db2.gz ULPJLIORBCOROC-UHFFFAOYSA-N 0 1 287.323 2.399 20 5 CEBDMN CC[C@H]1CCCC[C@@H]1CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000295675535 378260981 /nfs/dbraw/zinc/26/09/81/378260981.db2.gz IDJDARFZSXJULQ-VHSXEESVSA-N 0 1 280.328 2.264 20 5 CEBDMN Cc1ncc(CN[C@H](C)c2cccc([N+](=O)[O-])c2)c(=O)[nH]1 ZINC000346801274 218019533 /nfs/dbraw/zinc/01/95/33/218019533.db2.gz SBAGUYPIAKECRR-SECBINFHSA-N 0 1 288.307 2.250 20 5 CEBDMN O=C([O-])[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000299979566 379149688 /nfs/dbraw/zinc/14/96/88/379149688.db2.gz FIUMXNOMHPBFFH-YUTCNCBUSA-N 0 1 290.319 2.280 20 5 CEBDMN Cc1cccc2nc(CNc3ncc([N+](=O)[O-])cn3)[nH]c21 ZINC000302239094 379342665 /nfs/dbraw/zinc/34/26/65/379342665.db2.gz WZLZXOZGERHFTH-UHFFFAOYSA-N 0 1 284.279 2.182 20 5 CEBDMN CC(C)N1C[C@H](N[C@@H](C)c2cccc([N+](=O)[O-])c2)CC1=O ZINC000266745090 190278388 /nfs/dbraw/zinc/27/83/88/190278388.db2.gz AMFOLEHGKKAAPQ-WCQYABFASA-N 0 1 291.351 2.255 20 5 CEBDMN C[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])[C@@H]1CCC[C@@H](C)C1 ZINC000457018079 379627911 /nfs/dbraw/zinc/62/79/11/379627911.db2.gz WJXXKBUOPWTMOA-KXUCPTDWSA-N 0 1 280.328 2.263 20 5 CEBDMN CN(Cc1ccc([N+](=O)[O-])cc1F)C[C@@H]1CCOC1 ZINC000267355476 190323672 /nfs/dbraw/zinc/32/36/72/190323672.db2.gz BSHXMXHPRBKQPZ-JTQLQIEISA-N 0 1 268.288 2.202 20 5 CEBDMN C[C@@H]1CN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000267743681 190351683 /nfs/dbraw/zinc/35/16/83/190351683.db2.gz COVMVLAAMIXJHB-VXGBXAGGSA-N 0 1 291.351 2.145 20 5 CEBDMN Cc1n[nH]c(C(F)F)c1NC(=O)c1cc([N+](=O)[O-])cn1C ZINC000542829264 380318027 /nfs/dbraw/zinc/31/80/27/380318027.db2.gz JVMYKEQUKXCBEA-UHFFFAOYSA-N 0 1 299.237 2.155 20 5 CEBDMN CCN(C)C(=O)CN[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000548486750 380526427 /nfs/dbraw/zinc/52/64/27/380526427.db2.gz CDPHXCNDDKTJBO-NSHDSACASA-N 0 1 279.340 2.032 20 5 CEBDMN CC(C)C(C)(C)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000555347759 380823042 /nfs/dbraw/zinc/82/30/42/380823042.db2.gz KEHNBOUVCNQTHW-UHFFFAOYSA-N 0 1 266.297 2.465 20 5 CEBDMN Cc1cnc(CCNCc2ccc([N+](=O)[O-])cc2F)nc1 ZINC000350312447 219007007 /nfs/dbraw/zinc/00/70/07/219007007.db2.gz QSKWTWFAIRFMCO-UHFFFAOYSA-N 0 1 290.298 2.165 20 5 CEBDMN O=[N+]([O-])c1cc(F)c(NCCCc2nc[nH]n2)c(F)c1 ZINC000227890627 130855583 /nfs/dbraw/zinc/85/55/83/130855583.db2.gz QORANMUIYKWEAI-UHFFFAOYSA-N 0 1 283.238 2.036 20 5 CEBDMN CC[N@H+]1CCC[C@@H]1CNc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000211430796 394448307 /nfs/dbraw/zinc/44/83/07/394448307.db2.gz LEQDDUBYGNUPHS-LLVKDONJSA-N 0 1 293.323 2.189 20 5 CEBDMN C[C@@H](SCc1cc(O)ccc1[N+](=O)[O-])[C@H](C)O ZINC000413003494 394458018 /nfs/dbraw/zinc/45/80/18/394458018.db2.gz XDVUDGAFKYABIH-JGVFFNPUSA-N 0 1 257.311 2.303 20 5 CEBDMN CN(CCc1cnccn1)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000282639501 394921746 /nfs/dbraw/zinc/92/17/46/394921746.db2.gz BOADMVYWQPOJJL-UHFFFAOYSA-N 0 1 290.298 2.198 20 5 CEBDMN CCCN(CC(=O)Nc1ccccc1[N+](=O)[O-])C1CC1 ZINC000171682553 395096772 /nfs/dbraw/zinc/09/67/72/395096772.db2.gz WJSQMHOMWIDGTF-UHFFFAOYSA-N 0 1 277.324 2.408 20 5 CEBDMN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCN(C)CC[C@@H]1C ZINC000354011315 395313084 /nfs/dbraw/zinc/31/30/84/395313084.db2.gz ZLNMREGORSCUNP-LBPRGKRZSA-N 0 1 291.351 2.069 20 5 CEBDMN CCc1[nH]nc(C(=O)N2C[C@H](C)C[C@@H](C)[C@@H]2C)c1[N+](=O)[O-] ZINC000444411369 395431038 /nfs/dbraw/zinc/43/10/38/395431038.db2.gz MFZKSORZTLGUFG-BBBLOLIVSA-N 0 1 294.355 2.387 20 5 CEBDMN C[C@@H](Nc1ccc([N+](=O)[O-])c2cnccc12)c1nnc[nH]1 ZINC000219649155 153302916 /nfs/dbraw/zinc/30/29/16/153302916.db2.gz XZOPNIDVKTURLG-MRVPVSSYSA-N 0 1 284.279 2.434 20 5 CEBDMN COc1ccc([N+](=O)[O-])cc1C[N@@H+]([C@H](C)C(=O)[O-])C1CC1 ZINC000263364279 154068217 /nfs/dbraw/zinc/06/82/17/154068217.db2.gz VNOFNOXOHDKYJN-SECBINFHSA-N 0 1 294.307 2.041 20 5 CEBDMN O=C(NCc1ccc(-c2cccnc2)cc1)[C@@H]1CC1[N+](=O)[O-] ZINC000363571890 156029554 /nfs/dbraw/zinc/02/95/54/156029554.db2.gz WKXFFGVPJYSYES-HUUCEWRRSA-N 0 1 297.314 2.030 20 5 CEBDMN C[C@@H]1CC[C@]2(CCN(Cc3c([N+](=O)[O-])ncn3C)C2)C1 ZINC000368076459 156281113 /nfs/dbraw/zinc/28/11/13/156281113.db2.gz QEPUBTQFYUAQJA-RISCZKNCSA-N 0 1 278.356 2.340 20 5 CEBDMN O=C(N[C@@H]1CCCCC12CCCC2)[C@@H]1CC1[N+](=O)[O-] ZINC000368289268 156315258 /nfs/dbraw/zinc/31/52/58/156315258.db2.gz XCGSWRFXMGAQCC-GRYCIOLGSA-N 0 1 266.341 2.271 20 5 CEBDMN Cn1cnc([N+](=O)[O-])c1CN1CCC2(C1)CCCCC2 ZINC000370047460 156535530 /nfs/dbraw/zinc/53/55/30/156535530.db2.gz YBNKCBYCAXVQTQ-UHFFFAOYSA-N 0 1 278.356 2.485 20 5 CEBDMN Cc1ccc(-c2cnccn2)cc1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000373631249 156884963 /nfs/dbraw/zinc/88/49/63/156884963.db2.gz LZFVDNVRFPSOIO-BXUZGUMPSA-N 0 1 298.302 2.056 20 5 CEBDMN COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCC[C@H]1C(=O)[O-] ZINC000035299422 172113490 /nfs/dbraw/zinc/11/34/90/172113490.db2.gz MMTGWQVXEFCZCM-LBPRGKRZSA-N 0 1 294.307 2.043 20 5 CEBDMN CC(C)NS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000285138361 196205777 /nfs/dbraw/zinc/20/57/77/196205777.db2.gz NYKOQNUQZHEFNU-UHFFFAOYSA-N 0 1 296.707 2.074 20 5 CEBDMN Cc1ccc([C@H](C)NCc2ccnn2C)cc1[N+](=O)[O-] ZINC000071333260 176125873 /nfs/dbraw/zinc/12/58/73/176125873.db2.gz JJNWOQQDMJBHKV-NSHDSACASA-N 0 1 274.324 2.488 20 5 CEBDMN CC(C)CN1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000078362780 177335437 /nfs/dbraw/zinc/33/54/37/177335437.db2.gz BDFOQFNKMSFZBR-UHFFFAOYSA-N 0 1 291.351 2.009 20 5 CEBDMN CCOc1ccc([N+](=O)[O-])cc1CN1CC[C@H](CO)[C@H]1C ZINC000488785982 262394050 /nfs/dbraw/zinc/39/40/50/262394050.db2.gz PMQNPVKCQGUEOZ-VXGBXAGGSA-N 0 1 294.351 2.196 20 5 CEBDMN CS[C@H]1CC[C@@H]1NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000425335452 264012092 /nfs/dbraw/zinc/01/20/92/264012092.db2.gz IBRJKGHXNUXALS-JQWIXIFHSA-N 0 1 292.364 2.455 20 5 CEBDMN C[C@@H]1NC(=O)CC[C@H]1NCc1c(Cl)cccc1[N+](=O)[O-] ZINC000392896214 270341343 /nfs/dbraw/zinc/34/13/43/270341343.db2.gz CXVPTPYPOJVFJO-GZMMTYOYSA-N 0 1 297.742 2.005 20 5 CEBDMN COCCCN(C)Cc1ccc([N+](=O)[O-])cc1OC ZINC000430204741 271361332 /nfs/dbraw/zinc/36/13/32/271361332.db2.gz HPQBEMOGRTVUJR-UHFFFAOYSA-N 0 1 268.313 2.072 20 5 CEBDMN CC(C)[C@@](C)(NCc1cc(Cl)ccc1[N+](=O)[O-])C(N)=O ZINC000297681095 273551248 /nfs/dbraw/zinc/55/12/48/273551248.db2.gz PEFXYRBNMYXVEE-CYBMUJFWSA-N 0 1 299.758 2.238 20 5 CEBDMN CC(C)c1[nH]nc(C(=O)N2CC[C@](C)(F)C2)c1[N+](=O)[O-] ZINC000347324694 276041070 /nfs/dbraw/zinc/04/10/70/276041070.db2.gz RCFGKBGSKKZHLP-LBPRGKRZSA-N 0 1 284.291 2.015 20 5 CEBDMN CC(C)c1[nH]nc(C(=O)N2C[C@@H](C)C[C@H]2C)c1[N+](=O)[O-] ZINC000408399898 276041181 /nfs/dbraw/zinc/04/11/81/276041181.db2.gz MDFCCRVOZZWRTC-DTWKUNHWSA-N 0 1 280.328 2.312 20 5 CEBDMN CC(C)c1[nH]nc(C(=O)N2CC[C@@H]2C(C)C)c1[N+](=O)[O-] ZINC000331583087 276041215 /nfs/dbraw/zinc/04/12/15/276041215.db2.gz SYRQGQYTNZHBQB-SECBINFHSA-N 0 1 280.328 2.312 20 5 CEBDMN CN(c1c(F)cc([N+](=O)[O-])cc1F)[C@@H]1CCCN(C)C1 ZINC000301788624 277002631 /nfs/dbraw/zinc/00/26/31/277002631.db2.gz MVJQOJSQERCJJX-SECBINFHSA-N 0 1 285.294 2.403 20 5 CEBDMN COC(=O)[C@H]1CCN([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000266504169 277130405 /nfs/dbraw/zinc/13/04/05/277130405.db2.gz BGEIIVVTIJYKBB-MNOVXSKESA-N 0 1 278.308 2.151 20 5 CEBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H]1CCCCNC1=O ZINC000134079357 280012539 /nfs/dbraw/zinc/01/25/39/280012539.db2.gz VUFZACHNNXAUFE-SMDDNHRTSA-N 0 1 291.351 2.223 20 5 CEBDMN CC[C@@H](O)CN(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000135235395 280039986 /nfs/dbraw/zinc/03/99/86/280039986.db2.gz YGJIVCXKNDRKPO-CYBMUJFWSA-N 0 1 264.325 2.330 20 5 CEBDMN Cc1ccc(NS(=O)(=O)c2cccnc2)cc1[N+](=O)[O-] ZINC000135609956 280051261 /nfs/dbraw/zinc/05/12/61/280051261.db2.gz NUDHYLFEMNDISK-UHFFFAOYSA-N 0 1 293.304 2.099 20 5 CEBDMN CC[C@@H](NCC(=O)NCC(C)C)c1cccc([N+](=O)[O-])c1 ZINC000135740899 280054230 /nfs/dbraw/zinc/05/42/30/280054230.db2.gz ZURRIORGNAICFE-CQSZACIVSA-N 0 1 293.367 2.408 20 5 CEBDMN CC[C@@H](C)N(C)C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000331220235 280097377 /nfs/dbraw/zinc/09/73/77/280097377.db2.gz UFHMKZKFRBFQEK-MRVPVSSYSA-N 0 1 268.317 2.312 20 5 CEBDMN C[C@H]1CCC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])[C@H]1C(=O)[O-] ZINC000424265565 281140595 /nfs/dbraw/zinc/14/05/95/281140595.db2.gz JXYBSSXLJAAFIX-TVQRCGJNSA-N 0 1 296.298 2.419 20 5 CEBDMN CC(C)[C@@H](C)NC(=O)CN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180427022 312767811 /nfs/dbraw/zinc/76/78/11/312767811.db2.gz PQJSUMGAAUVKSA-VXGBXAGGSA-N 0 1 293.367 2.406 20 5 CEBDMN CN(CCc1cccc([N+](=O)[O-])c1)Cc1cnccn1 ZINC000569684794 314008578 /nfs/dbraw/zinc/00/85/78/314008578.db2.gz UNHBWMKLUXGVNE-UHFFFAOYSA-N 0 1 272.308 2.059 20 5 CEBDMN CN(CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C(C)(C)C ZINC000575293041 314216299 /nfs/dbraw/zinc/21/62/99/314216299.db2.gz FPTZUQFIOUEZNY-UHFFFAOYSA-N 0 1 291.351 2.214 20 5 CEBDMN CC[C@H](N[C@@H](C)c1cc([N+](=O)[O-])ccc1C)C(=O)NC ZINC000579077590 314545352 /nfs/dbraw/zinc/54/53/52/314545352.db2.gz HCXVNBZUVJRYDR-GWCFXTLKSA-N 0 1 279.340 2.078 20 5 CEBDMN CCN(C)C(=O)[C@@H](C)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000188474226 520201912 /nfs/dbraw/zinc/20/19/12/520201912.db2.gz LXGNTFWDDGNCKR-VXGBXAGGSA-N 0 1 293.367 2.421 20 5 CEBDMN CCCN(C)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000067378532 521514086 /nfs/dbraw/zinc/51/40/86/521514086.db2.gz SGYPOWXFAYGASY-ZDUSSCGKSA-N 0 1 277.324 2.042 20 5 CEBDMN C[C@@H]1COCCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000363478131 525113519 /nfs/dbraw/zinc/11/35/19/525113519.db2.gz HIXNFKVNZJNJNG-NSHDSACASA-N 0 1 250.298 2.063 20 5 CEBDMN O=C(Nc1n[nH]c(C2CCC2)n1)c1ccc([N+](=O)[O-])s1 ZINC000184561162 527496804 /nfs/dbraw/zinc/49/68/04/527496804.db2.gz XMXJWDPCYDJFTR-UHFFFAOYSA-N 0 1 293.308 2.294 20 5 CEBDMN CN(CCOC(=O)c1ccc([N+](=O)[O-])[nH]1)c1ccccc1 ZINC000747173418 575168233 /nfs/dbraw/zinc/16/82/33/575168233.db2.gz VTNGKHMGSWEEIA-UHFFFAOYSA-N 0 1 289.291 2.216 20 5 CEBDMN C[C@@H](Cn1cncn1)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000748820321 575197970 /nfs/dbraw/zinc/19/79/70/575197970.db2.gz VILBSQQUXIQROT-VIFPVBQESA-N 0 1 295.730 2.018 20 5 CEBDMN C[N@@H+](CCC(=O)[O-])Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000077253472 597260196 /nfs/dbraw/zinc/26/01/96/597260196.db2.gz CRXUWNCOCPQZKZ-UHFFFAOYSA-N 0 1 272.688 2.155 20 5 CEBDMN C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000227818136 601520701 /nfs/dbraw/zinc/52/07/01/601520701.db2.gz JANGLVJJJZFDCZ-JFGNBEQYSA-N 0 1 278.308 2.308 20 5 CEBDMN C[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])C1(C(=O)[O-])CCCC1 ZINC000833694661 604672386 /nfs/dbraw/zinc/67/23/86/604672386.db2.gz XPZOBPQMAYZPGD-UHFFFAOYSA-N 0 1 294.307 2.130 20 5 CEBDMN C[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])C1(C(=O)[O-])CCCC1 ZINC000833694661 604672389 /nfs/dbraw/zinc/67/23/89/604672389.db2.gz XPZOBPQMAYZPGD-UHFFFAOYSA-N 0 1 294.307 2.130 20 5 CEBDMN COc1cc(C=Cc2n[nH]cc2C=O)cc([N+](=O)[O-])c1O ZINC000255673293 625374130 /nfs/dbraw/zinc/37/41/30/625374130.db2.gz SYPLCAKCZRFWGW-IHWYPQMZSA-N 0 1 289.247 2.015 20 5 CEBDMN CCC(C)(C)[C@@H]1CCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840403833 634401350 /nfs/dbraw/zinc/40/13/50/634401350.db2.gz QNPVRYWTKRPTJR-MXWKQRLJSA-N 0 1 254.330 2.079 20 5 CEBDMN O=[N+]([O-])CCN1CCCSC[C@@H]1c1ccccc1 ZINC000931695622 628786794 /nfs/dbraw/zinc/78/67/94/628786794.db2.gz YHHQXSWTFCYULA-CYBMUJFWSA-N 0 1 266.366 2.443 20 5 CEBDMN Cc1nn(CN2C[C@H](C)[C@@H](C)[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000841693221 628923876 /nfs/dbraw/zinc/92/38/76/628923876.db2.gz UBPFATMSPKPRIP-NGZCFLSTSA-N 0 1 266.345 2.342 20 5 CEBDMN CCOC1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000178577856 628952658 /nfs/dbraw/zinc/95/26/58/628952658.db2.gz NQQZIWNKRJNLFO-OAHLLOKOSA-N 0 1 294.351 2.129 20 5 CEBDMN O=C(O[C@H](C1CCCC1)C(F)(F)F)[C@@H]1CC1[N+](=O)[O-] ZINC000841143550 629216248 /nfs/dbraw/zinc/21/62/48/629216248.db2.gz MVNYNYYVNPROAW-IWSPIJDZSA-N 0 1 281.230 2.316 20 5 CEBDMN COC(=O)[C@H]1[C@@H]2CN([C@@H](C)c3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000794951325 629372309 /nfs/dbraw/zinc/37/23/09/629372309.db2.gz IGJKCKGUTVZVRL-OLRMPSLUSA-N 0 1 290.319 2.007 20 5 CEBDMN CN1CC[C@H]1CNC(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000928553151 629962976 /nfs/dbraw/zinc/96/29/76/629962976.db2.gz YDPPOIVNNAGXJO-LBPRGKRZSA-N 0 1 299.330 2.182 20 5 CEBDMN COC(OC)[C@H](C)NCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000895795385 630351928 /nfs/dbraw/zinc/35/19/28/630351928.db2.gz WBVYOEAZQKDOOQ-QMMMGPOBSA-N 0 1 288.731 2.345 20 5 CEBDMN C[C@H](CNCc1ccon1)c1ccccc1[N+](=O)[O-] ZINC000897464059 631532097 /nfs/dbraw/zinc/53/20/97/631532097.db2.gz JZWATMICFNVQAC-SNVBAGLBSA-N 0 1 261.281 2.476 20 5 CEBDMN Cc1nc([C@@H](C)OC(=O)c2ccc([N+](=O)[O-])c(F)c2)n[nH]1 ZINC000840224781 632342076 /nfs/dbraw/zinc/34/20/76/632342076.db2.gz OAHRLIFCIZOULY-ZCFIWIBFSA-N 0 1 294.242 2.078 20 5 CEBDMN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])[C@@H]1CCCc2ccccc21 ZINC000840252580 632521587 /nfs/dbraw/zinc/52/15/87/632521587.db2.gz GWZCGNBWEXVFSC-MGPQQGTHSA-N 0 1 274.320 2.188 20 5 CEBDMN O=[N+]([O-])CCNCCOc1ccc2ccccc2c1 ZINC000899866244 633065113 /nfs/dbraw/zinc/06/51/13/633065113.db2.gz VTAUIAISVBAWED-UHFFFAOYSA-N 0 1 260.293 2.085 20 5 CEBDMN Cc1cc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c2cccnc2c1C ZINC000840368315 634003980 /nfs/dbraw/zinc/00/39/80/634003980.db2.gz OBIXVNBSVXTDLA-DGCLKSJQSA-N 0 1 285.303 2.455 20 5 CEBDMN Cc1ccnc(CNC[C@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000819332731 634144016 /nfs/dbraw/zinc/14/40/16/634144016.db2.gz CAEHDFAYSIVZSR-HNNXBMFYSA-N 0 1 287.319 2.121 20 5 CEBDMN CO[C@H](c1ccc(Cl)cc1)[C@@H](C)NCC[N+](=O)[O-] ZINC000905126054 635835352 /nfs/dbraw/zinc/83/53/52/635835352.db2.gz CQNBPFMZPHIZEY-SKDRFNHKSA-N 0 1 272.732 2.282 20 5 CEBDMN O=C(OCc1cc(O)ccc1[N+](=O)[O-])[C@H]1CCCOCC1 ZINC000837689532 639343952 /nfs/dbraw/zinc/34/39/52/639343952.db2.gz ALRPWVCAXNFVQV-JTQLQIEISA-N 0 1 295.291 2.160 20 5 CEBDMN Cc1cccc(Cl)c1OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000841122973 639685846 /nfs/dbraw/zinc/68/58/46/639685846.db2.gz WIFCMFBZFCONOD-VXNVDRBHSA-N 0 1 255.657 2.219 20 5 CEBDMN Cc1cc(C(F)(F)F)ncc1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000841236893 639715073 /nfs/dbraw/zinc/71/50/73/639715073.db2.gz KJIVYJDVKYMXTD-HTRCEHHLSA-N 0 1 289.213 2.013 20 5 CEBDMN CC(C)[C@H](N)c1noc(COc2ccccc2[N+](=O)[O-])n1 ZINC000843147058 640305928 /nfs/dbraw/zinc/30/59/28/640305928.db2.gz YXDCOGJDQLBHKS-LBPRGKRZSA-N 0 1 292.295 2.213 20 5 CEBDMN CC1(C)CCC[C@@H]1[C@H]1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000843696442 640501036 /nfs/dbraw/zinc/50/10/36/640501036.db2.gz NWTZERHRRLEMON-UMSGYPCISA-N 0 1 280.368 2.326 20 5 CEBDMN CSc1cc(F)ccc1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000843726137 640510856 /nfs/dbraw/zinc/51/08/56/640510856.db2.gz XPPQPTKDPSQQFA-VXNVDRBHSA-N 0 1 270.285 2.151 20 5 CEBDMN COC[C@H]1CCN1Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000877550362 650781723 /nfs/dbraw/zinc/78/17/23/650781723.db2.gz OMMPMYUBPWNKOM-GFCCVEGCSA-N 0 1 264.325 2.432 20 5 CEBDMN CCN1CCN(c2cccc(F)c2[N+](=O)[O-])C[C@@H]1C ZINC000110766014 643510412 /nfs/dbraw/zinc/51/04/12/643510412.db2.gz BXOGZEXIYCWNAR-JTQLQIEISA-N 0 1 267.304 2.264 20 5 CEBDMN CN(CC1=CCSC1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000852747564 643531417 /nfs/dbraw/zinc/53/14/17/643531417.db2.gz OBERLKBGVIKTFP-AWEZNQCLSA-N 0 1 294.376 2.233 20 5 CEBDMN Cc1cc(N2CCC(c3nc[nH]n3)CC2)c([N+](=O)[O-])s1 ZINC000853427408 643766747 /nfs/dbraw/zinc/76/67/47/643766747.db2.gz LWNTXATULTVDCF-UHFFFAOYSA-N 0 1 293.352 2.467 20 5 CEBDMN CN(C[C@H]1CCc2ccccc21)Cn1cc([N+](=O)[O-])cn1 ZINC000853610363 643832318 /nfs/dbraw/zinc/83/23/18/643832318.db2.gz PBQMZPQLWPBSJQ-CYBMUJFWSA-N 0 1 286.335 2.411 20 5 CEBDMN CC(C)NCc1nc(-c2ccc([N+](=O)[O-])s2)no1 ZINC000854150034 643999111 /nfs/dbraw/zinc/99/91/11/643999111.db2.gz DGFOAJRKEUBEBN-UHFFFAOYSA-N 0 1 268.298 2.204 20 5 CEBDMN COC(=O)C[C@@H](NCc1ccc([N+](=O)[O-])cc1F)C1CC1 ZINC000754543783 644387830 /nfs/dbraw/zinc/38/78/30/644387830.db2.gz YYKYLMGKMHARGF-CYBMUJFWSA-N 0 1 296.298 2.165 20 5 CEBDMN CC1=CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000756631545 644676846 /nfs/dbraw/zinc/67/68/46/644676846.db2.gz DQONEQNXZSNGRJ-CQSZACIVSA-N 0 1 262.309 2.280 20 5 CEBDMN CCCC[C@H]1CCC[C@@H]1NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839642179 644770973 /nfs/dbraw/zinc/77/09/73/644770973.db2.gz FKOILPFMQQJTEE-WHOHXGKFSA-N 0 1 254.330 2.127 20 5 CEBDMN Cc1ccc(C[C@@H](C)N(C)C(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC000839687730 644774599 /nfs/dbraw/zinc/77/45/99/644774599.db2.gz JHDPIWYIKRBETH-MRVWCRGKSA-N 0 1 276.336 2.050 20 5 CEBDMN CC(C)N(C)c1cccc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 ZINC000839673064 644780264 /nfs/dbraw/zinc/78/02/64/644780264.db2.gz DEDQBWINCREJOI-CHWSQXEVSA-N 0 1 277.324 2.135 20 5 CEBDMN O=C(N[C@@H]1CC[C@@H](Cc2ccccc2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000839732525 644784438 /nfs/dbraw/zinc/78/44/38/644784438.db2.gz FSHRFOFHMBMQKK-GBJTYRQASA-N 0 1 288.347 2.179 20 5 CEBDMN C[C@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839684831 644784507 /nfs/dbraw/zinc/78/45/07/644784507.db2.gz CHLDSWZFNBXMOZ-BNQQVVLKSA-N 0 1 292.310 2.195 20 5 CEBDMN C[C@H](C1CCCCC1)N(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839759522 644809445 /nfs/dbraw/zinc/80/94/45/644809445.db2.gz OCFIEQWVWHHZSA-YUSALJHKSA-N 0 1 254.330 2.079 20 5 CEBDMN CC(C)C[C@]1(C)CCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839783419 644815903 /nfs/dbraw/zinc/81/59/03/644815903.db2.gz GTUQCGRFUXQJKG-WZRBSPASSA-N 0 1 254.330 2.079 20 5 CEBDMN C[C@@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)c1ccc[nH]1 ZINC000760961770 645217573 /nfs/dbraw/zinc/21/75/73/645217573.db2.gz RHDWSPVZYOLOIT-MRVPVSSYSA-N 0 1 299.290 2.290 20 5 CEBDMN C[C@H](OC(=O)c1ccc([N+](=O)[O-])[nH]1)c1nc(C2CC2)no1 ZINC000761177436 645254298 /nfs/dbraw/zinc/25/42/98/645254298.db2.gz LBARABFUQINXPB-LURJTMIESA-N 0 1 292.251 2.101 20 5 CEBDMN Cc1nc(COC(=O)c2ccc([N+](=O)[O-])[nH]2)c(C)s1 ZINC000770180368 646366493 /nfs/dbraw/zinc/36/64/93/646366493.db2.gz OOFVSNBDTSGVJU-UHFFFAOYSA-N 0 1 281.293 2.353 20 5 CEBDMN O=[N+]([O-])c1ccsc1N1CCC(c2nc[nH]n2)CC1 ZINC000775675947 646979559 /nfs/dbraw/zinc/97/95/59/646979559.db2.gz HIVZMHQEGCJYAL-UHFFFAOYSA-N 0 1 279.325 2.158 20 5 CEBDMN Cc1nn(CN2CCCC2)c2cc([N+](=O)[O-])ccc12 ZINC000121051836 647782609 /nfs/dbraw/zinc/78/26/09/647782609.db2.gz OWIMQQGTKXVVEU-UHFFFAOYSA-N 0 1 260.297 2.306 20 5 CEBDMN O=[N+]([O-])CCN(CCCO)[C@H]1CCCc2ccccc21 ZINC000791051977 648476226 /nfs/dbraw/zinc/47/62/26/648476226.db2.gz IZYPUHSUUPBLKN-HNNXBMFYSA-N 0 1 278.352 2.025 20 5 CEBDMN CCN(CC1CCC1)Cn1nc(C)c([N+](=O)[O-])c1C ZINC000794686491 648904068 /nfs/dbraw/zinc/90/40/68/648904068.db2.gz ALMNLOFIMFGKET-UHFFFAOYSA-N 0 1 266.345 2.488 20 5 CEBDMN O=C(Nc1ccc(F)c(C(F)F)c1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000871274073 649053671 /nfs/dbraw/zinc/05/36/71/649053671.db2.gz OLGTZURLLPOAJS-VXNVDRBHSA-N 0 1 274.198 2.367 20 5 CEBDMN COC[C@H](C)N[C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872017265 649242226 /nfs/dbraw/zinc/24/22/26/649242226.db2.gz XXSMJFQZLXFSKO-DTWKUNHWSA-N 0 1 256.277 2.419 20 5 CEBDMN C[C@H](NC[C@H]1C[C@@H](O)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872089988 649270398 /nfs/dbraw/zinc/27/03/98/649270398.db2.gz JCMYZFOEJAPLFB-LPEHRKFASA-N 0 1 268.288 2.155 20 5 CEBDMN C[C@H](N[C@H]1C[C@@H](CO)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872093556 649271292 /nfs/dbraw/zinc/27/12/92/649271292.db2.gz VYNQBWLUJNMLIF-LPEHRKFASA-N 0 1 268.288 2.155 20 5 CEBDMN O=[N+]([O-])c1ccc(CN2CCCCC[C@H]2CO)cc1F ZINC000133338742 652621313 /nfs/dbraw/zinc/62/13/13/652621313.db2.gz GBPGPEJYTBMXLD-LBPRGKRZSA-N 0 1 282.315 2.471 20 5 CEBDMN Cc1cc([N+](=O)[O-])c(N2C[C@H](C)N(C)C[C@@H]2C)nc1Cl ZINC001164641409 719180486 /nfs/dbraw/zinc/18/04/86/719180486.db2.gz WBUSJUVLZPSPKX-UWVGGRQHSA-N 0 1 298.774 2.480 20 5 CEBDMN O=[N+]([O-])c1ccccc1CNCC1SCCS1 ZINC000692904441 804423546 /nfs/dbraw/zinc/42/35/46/804423546.db2.gz MAWMSPSKRJHGBE-UHFFFAOYSA-N 0 1 270.379 2.491 20 5 CEBDMN O=[N+]([O-])c1ccc(CN2C[C@@H]3[C@H](O)CC[C@@H]3C2)c(Cl)c1 ZINC000712275089 810528937 /nfs/dbraw/zinc/52/89/37/810528937.db2.gz SPOAWTOSWUHZQN-LJWDBELGSA-N 0 1 296.754 2.451 20 5 CEBDMN O=[N+]([O-])c1ccc(NC[C@@H]2COCCN2)c2ccccc21 ZINC001170048386 812004735 /nfs/dbraw/zinc/00/47/35/812004735.db2.gz ZMMXPUPLGWANFH-LLVKDONJSA-N 0 1 287.319 2.148 20 5 CEBDMN Cc1ncc(CNCc2ccc(C)c([N+](=O)[O-])c2)n1C ZINC000689239342 812144793 /nfs/dbraw/zinc/14/47/93/812144793.db2.gz KAIPRFNQRUGGHG-UHFFFAOYSA-N 0 1 274.324 2.235 20 5 CEBDMN CC[C@@](N)(CO)Nc1c(Cl)cc(C)cc1[N+](=O)[O-] ZINC001170870998 813568235 /nfs/dbraw/zinc/56/82/35/813568235.db2.gz WXYBWRNSFGGYLC-NSHDSACASA-N 0 1 273.720 2.026 20 5 CEBDMN Cc1ccc(C[N@H+]2CC[C@](C)(C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000714015875 814882121 /nfs/dbraw/zinc/88/21/21/814882121.db2.gz SVCLHRGQJNVTGF-AWEZNQCLSA-N 0 1 278.308 2.200 20 5 CEBDMN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1C[C@@H](F)C[C@H](CO)C1 ZINC001173224368 815627517 /nfs/dbraw/zinc/62/75/17/815627517.db2.gz FFCWOBMQFXWXQT-XBFCOCLRSA-N 0 1 296.342 2.178 20 5 CEBDMN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1C[C@H]2CC[C@@H](C1)O2 ZINC001173223100 815627949 /nfs/dbraw/zinc/62/79/49/815627949.db2.gz XQWYCNGHJFPCOK-TUKIKUTGSA-N 0 1 276.336 2.389 20 5 CEBDMN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N(C1CC1)C1COC1 ZINC001173231909 815633091 /nfs/dbraw/zinc/63/30/91/815633091.db2.gz DNCSYNAFMBYJLV-NSHDSACASA-N 0 1 276.336 2.389 20 5 CEBDMN C[C@@H]1c2cc(F)cc(F)c2CCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839704057 816577101 /nfs/dbraw/zinc/57/71/01/816577101.db2.gz SMNIUHFOVUXYSS-TWPQKTAQSA-N 0 1 296.273 2.076 20 5 CEBDMN O=[N+]([O-])c1cccc(N2CCN(CCCF)CC2)c1 ZINC000121280702 365545846 /nfs/dbraw/zinc/54/58/46/365545846.db2.gz XTNWGRYGTJLZCU-UHFFFAOYSA-N 0 1 267.304 2.076 20 5 CEBDMN CCOc1ccc([N+](=O)[O-])cc1CN(C)C[C@@H](O)C1CC1 ZINC000079769200 343990066 /nfs/dbraw/zinc/99/00/66/343990066.db2.gz GWWOBYZPTOEPRE-CQSZACIVSA-N 0 1 294.351 2.196 20 5 CEBDMN CCNC(=O)[C@@H](C)N[C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000036794868 361859979 /nfs/dbraw/zinc/85/99/79/361859979.db2.gz NPZXMVANNWGKSE-MFKMUULPSA-N 0 1 279.340 2.160 20 5 CEBDMN CC(C)c1nc(CNc2cc(N)ccc2[N+](=O)[O-])n[nH]1 ZINC000294980662 199282884 /nfs/dbraw/zinc/28/28/84/199282884.db2.gz PCNJGGDOAJVMBY-UHFFFAOYSA-N 0 1 276.300 2.031 20 5 CEBDMN Cc1[nH]n(-c2ccc([N+](=O)[O-])cc2F)c(=O)c1C1CC1 ZINC000601937509 346933182 /nfs/dbraw/zinc/93/31/82/346933182.db2.gz BMAGSKHYZIFUJG-GFCCVEGCSA-N 0 1 277.255 2.483 20 5 CEBDMN COCCc1cc(=O)n(-c2ccc([N+](=O)[O-])cc2C)[nH]1 ZINC000601943617 346935888 /nfs/dbraw/zinc/93/58/88/346935888.db2.gz RUKCFWUTGGHITD-UHFFFAOYSA-N 0 1 277.280 2.032 20 5 CEBDMN Cc1nn(C)c(C)c1CNCc1ccc([N+](=O)[O-])cc1 ZINC000037668341 282261215 /nfs/dbraw/zinc/26/12/15/282261215.db2.gz FGNQCFIRHIUMQP-UHFFFAOYSA-N 0 1 274.324 2.235 20 5 CEBDMN COc1cc(NCc2n[nH]c(C(C)C)n2)ccc1[N+](=O)[O-] ZINC000294990029 199288114 /nfs/dbraw/zinc/28/81/14/199288114.db2.gz QHIXSRCLTBKNET-UHFFFAOYSA-N 0 1 291.311 2.457 20 5 CEBDMN C[C@H](F)CCN1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000351845998 136381048 /nfs/dbraw/zinc/38/10/48/136381048.db2.gz YDSJYRFPAMCILT-LBPRGKRZSA-N 0 1 281.331 2.465 20 5 CEBDMN O=[N+]([O-])c1cc(Cl)ccc1CN1C[C@@H]2COC[C@@H]2C1 ZINC000601971433 346947104 /nfs/dbraw/zinc/94/71/04/346947104.db2.gz AUOKLYAAMNCWAO-PHIMTYICSA-N 0 1 282.727 2.326 20 5 CEBDMN CCN(Cc1ccccc1)C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000064335769 343688563 /nfs/dbraw/zinc/68/85/63/343688563.db2.gz ZKNNUNKXWKNTIU-UHFFFAOYSA-N 0 1 288.307 2.289 20 5 CEBDMN C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC[C@H](O)C1 ZINC000075617088 343859321 /nfs/dbraw/zinc/85/93/21/343859321.db2.gz LTYWIZHASTUFCP-QWRGUYRKSA-N 0 1 250.298 2.113 20 5 CEBDMN O=[N+]([O-])c1ccc(O)cc1CN1CCOC2(CCCC2)C1 ZINC000093588798 344227508 /nfs/dbraw/zinc/22/75/08/344227508.db2.gz HQNLIZOJSOOJGJ-UHFFFAOYSA-N 0 1 292.335 2.445 20 5 CEBDMN COc1ccc(CN2CC[C@]3(CCOC3)C2)cc1[N+](=O)[O-] ZINC000153704703 344430327 /nfs/dbraw/zinc/43/03/27/344430327.db2.gz YLNAWFCWVMIMMX-HNNXBMFYSA-N 0 1 292.335 2.216 20 5 CEBDMN COc1cc(N[C@@H]2CCN(C3CC3)C2)c(F)cc1[N+](=O)[O-] ZINC000227858123 344556952 /nfs/dbraw/zinc/55/69/52/344556952.db2.gz LDCHHMMTZAAANW-SECBINFHSA-N 0 1 295.314 2.391 20 5 CEBDMN C[N@H+]1CCC[C@@H]1CNc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000227865160 344557009 /nfs/dbraw/zinc/55/70/09/344557009.db2.gz QKSDEZKFBQLHJK-LLVKDONJSA-N 0 1 287.323 2.044 20 5 CEBDMN CCC[N@H+]1CC[C@@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC000328457190 344755214 /nfs/dbraw/zinc/75/52/14/344755214.db2.gz FTVDZCCIZPLLSB-CYBMUJFWSA-N 0 1 263.341 2.169 20 5 CEBDMN CCC[N@H+]1CC[C@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC000328457191 344755230 /nfs/dbraw/zinc/75/52/30/344755230.db2.gz FTVDZCCIZPLLSB-ZDUSSCGKSA-N 0 1 263.341 2.169 20 5 CEBDMN C[C@@H](Nc1c(F)cccc1[N+](=O)[O-])c1nnc[nH]1 ZINC000336785134 365803489 /nfs/dbraw/zinc/80/34/89/365803489.db2.gz BMAMEHMEPPPBOT-ZCFIWIBFSA-N 0 1 251.221 2.025 20 5 CEBDMN O=[N+]([O-])c1ccc(NCc2n[nH]c(C3CC3)n2)s1 ZINC000590709678 345166246 /nfs/dbraw/zinc/16/62/46/345166246.db2.gz HOMCKSRSAUNXCS-UHFFFAOYSA-N 0 1 265.298 2.264 20 5 CEBDMN CC[C@H]1CN(CC)CCN1c1ncc(C)cc1[N+](=O)[O-] ZINC000590723755 345168548 /nfs/dbraw/zinc/16/85/48/345168548.db2.gz DBKXUYWWGBTBQJ-LBPRGKRZSA-N 0 1 278.356 2.219 20 5 CEBDMN CCOc1cc(C[N@H+]2CCC[C@H]2C(=O)[O-])ccc1[N+](=O)[O-] ZINC000593730714 345528573 /nfs/dbraw/zinc/52/85/73/345528573.db2.gz PLNPOXSCXAGYNI-LBPRGKRZSA-N 0 1 294.307 2.043 20 5 CEBDMN CC1(C)[C@@H]2C[N@H+](Cc3cc(C(=O)[O-])ccc3[N+](=O)[O-])C[C@@H]21 ZINC000593736922 345530433 /nfs/dbraw/zinc/53/04/33/345530433.db2.gz DHPKCEKNAIENDH-TXEJJXNPSA-N 0 1 290.319 2.381 20 5 CEBDMN CCN(Cc1cc(O)ccc1[N+](=O)[O-])c1cnn(C)c1 ZINC000594040360 345571695 /nfs/dbraw/zinc/57/16/95/345571695.db2.gz FBSGTYOUSUHYAO-UHFFFAOYSA-N 0 1 276.296 2.060 20 5 CEBDMN CCCCN(CCO)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595309323 345759774 /nfs/dbraw/zinc/75/97/74/345759774.db2.gz RFAXLMNCAFTBPG-UHFFFAOYSA-N 0 1 270.304 2.328 20 5 CEBDMN CC[C@@H]1C[C@H](NCc2ccccc2[N+](=O)[O-])CO1 ZINC000594926874 345705140 /nfs/dbraw/zinc/70/51/40/345705140.db2.gz XBJIJRCUAQXISA-NWDGAFQWSA-N 0 1 250.298 2.252 20 5 CEBDMN COc1ccc([N+](=O)[O-])cc1CN[C@H]1COC2(CCC2)C1 ZINC000595009122 345725941 /nfs/dbraw/zinc/72/59/41/345725941.db2.gz ACTHUXZUNUQKTJ-GFCCVEGCSA-N 0 1 292.335 2.405 20 5 CEBDMN CCNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000310297442 201870004 /nfs/dbraw/zinc/87/00/04/201870004.db2.gz MIJVYFTXGVKEHX-UHFFFAOYSA-N 0 1 299.135 2.200 20 5 CEBDMN O=[N+]([O-])c1cnccc1NC[C@@H]1CCN1Cc1ccccc1 ZINC000596558944 346054863 /nfs/dbraw/zinc/05/48/63/346054863.db2.gz VDRWGQWWZFBMDJ-AWEZNQCLSA-N 0 1 298.346 2.098 20 5 CEBDMN Cc1[nH]nc(C(=O)N2[C@H](C)CCC2(C)C)c1[N+](=O)[O-] ZINC000597753301 346226337 /nfs/dbraw/zinc/22/63/37/346226337.db2.gz QSDYLABLOBEUIV-SSDOTTSWSA-N 0 1 266.301 2.029 20 5 CEBDMN CCCc1[nH]nc(C(=O)N2C[C@@H]3CCCC[C@@H]32)c1[N+](=O)[O-] ZINC000597830678 346237174 /nfs/dbraw/zinc/23/71/74/346237174.db2.gz YMJMLWWJWSHQPL-ONGXEEELSA-N 0 1 292.339 2.285 20 5 CEBDMN CCn1nncc1CNC/C=C\c1ccccc1[N+](=O)[O-] ZINC000598985242 346441861 /nfs/dbraw/zinc/44/18/61/346441861.db2.gz CUNVHWBFSNNKJB-ALCCZGGFSA-N 0 1 287.323 2.009 20 5 CEBDMN Cc1c(C[N@H+]2CC[C@@](C)(C(=O)[O-])C2)cccc1[N+](=O)[O-] ZINC000062935346 362735071 /nfs/dbraw/zinc/73/50/71/362735071.db2.gz VIXYRGJTESPLAK-CQSZACIVSA-N 0 1 278.308 2.200 20 5 CEBDMN C[C@]1(NCc2nc3cc([N+](=O)[O-])ccc3o2)CCCOC1 ZINC000602600263 347095031 /nfs/dbraw/zinc/09/50/31/347095031.db2.gz HMGXGIQFXXYWRU-AWEZNQCLSA-N 0 1 291.307 2.395 20 5 CEBDMN O=[N+]([O-])c1cc(CN[C@@H](CO)Cc2ccccc2)cs1 ZINC000063218897 362762771 /nfs/dbraw/zinc/76/27/71/362762771.db2.gz NUYQVLHPFLSNMI-CYBMUJFWSA-N 0 1 292.360 2.350 20 5 CEBDMN C[C@@H]1C[C@@H](Nc2ncc(F)cc2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000601127225 346761683 /nfs/dbraw/zinc/76/16/83/346761683.db2.gz CJXWFJDEZMKLPY-PSASIEDQSA-N 0 1 280.303 2.166 20 5 CEBDMN CC(C)=CCN[C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000601148420 346770072 /nfs/dbraw/zinc/77/00/72/346770072.db2.gz BMEJCGUWLROZHL-AWEZNQCLSA-N 0 1 264.325 2.358 20 5 CEBDMN CN(C)[C@@H](CNc1ncc(F)cc1[N+](=O)[O-])c1ccco1 ZINC000601099654 346752607 /nfs/dbraw/zinc/75/26/07/346752607.db2.gz CUDKWARTMJIEJV-NSHDSACASA-N 0 1 294.286 2.437 20 5 CEBDMN C[C@H]1CC[C@@H](CNCc2nc3cc([N+](=O)[O-])ccc3o2)O1 ZINC000602689551 347148425 /nfs/dbraw/zinc/14/84/25/347148425.db2.gz FGCICKCWNXRFDS-ONGXEEELSA-N 0 1 291.307 2.393 20 5 CEBDMN Cc1ccc([C@@H](C)NCc2cn(C)nc2[N+](=O)[O-])cc1 ZINC000602796644 347202585 /nfs/dbraw/zinc/20/25/85/347202585.db2.gz CDGDBOJSGDCCSJ-LLVKDONJSA-N 0 1 274.324 2.488 20 5 CEBDMN Cc1ccccc1[C@@H](C)NCc1cn(C)nc1[N+](=O)[O-] ZINC000602800103 347204138 /nfs/dbraw/zinc/20/41/38/347204138.db2.gz JNSYWFJHPLHKAS-LLVKDONJSA-N 0 1 274.324 2.488 20 5 CEBDMN COc1cc(CN2CC[C@@H](C)C[C@H]2CO)ccc1[N+](=O)[O-] ZINC000602930327 347250555 /nfs/dbraw/zinc/25/05/55/347250555.db2.gz DKFBDURVSDGHFC-YPMHNXCESA-N 0 1 294.351 2.196 20 5 CEBDMN C[C@H](NC(=O)[C@H]1CCCCN1C)c1cccc([N+](=O)[O-])c1 ZINC000609547492 347642742 /nfs/dbraw/zinc/64/27/42/347642742.db2.gz HCVUGFRQNZLCBX-SMDDNHRTSA-N 0 1 291.351 2.256 20 5 CEBDMN CC(C)CN1CCN(c2ccsc2[N+](=O)[O-])CC1 ZINC000610732836 347707720 /nfs/dbraw/zinc/70/77/20/347707720.db2.gz CAFQINOEZPIJEY-UHFFFAOYSA-N 0 1 269.370 2.434 20 5 CEBDMN CCN1CCN(c2ccc(F)cc2[N+](=O)[O-])C[C@@H]1C ZINC000611084400 347737493 /nfs/dbraw/zinc/73/74/93/347737493.db2.gz PNGKSIDJSNQDOT-JTQLQIEISA-N 0 1 267.304 2.264 20 5 CEBDMN CCN1C[C@H](C)N(c2ncc(C)cc2[N+](=O)[O-])C[C@H]1C ZINC000611222047 347753384 /nfs/dbraw/zinc/75/33/84/347753384.db2.gz SDCODHVATUZIRE-NEPJUHHUSA-N 0 1 278.356 2.217 20 5 CEBDMN Cc1c(CNC(=O)[C@H]2CCCCN2C)cccc1[N+](=O)[O-] ZINC000616490619 348510512 /nfs/dbraw/zinc/51/05/12/348510512.db2.gz ODHPKJFPYFPKJQ-CQSZACIVSA-N 0 1 291.351 2.004 20 5 CEBDMN O=C(Nc1cc(F)ccc1O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000357631955 233112875 /nfs/dbraw/zinc/11/28/75/233112875.db2.gz HVQSLPPRLLDJLK-UHFFFAOYSA-N 0 1 292.222 2.397 20 5 CEBDMN Cc1nc([C@H](C)N(C)CCc2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000411694234 233270447 /nfs/dbraw/zinc/27/04/47/233270447.db2.gz NFCYEGDYUDBBBP-JTQLQIEISA-N 0 1 289.339 2.257 20 5 CEBDMN CCc1nn(C)cc1CNCc1ccc([N+](=O)[O-])cc1 ZINC000092371839 180370732 /nfs/dbraw/zinc/37/07/32/180370732.db2.gz JDVXTYLMYPRZJE-UHFFFAOYSA-N 0 1 274.324 2.181 20 5 CEBDMN Cc1ccc(NC(=O)[C@@H](C(C)C)N(C)C)cc1[N+](=O)[O-] ZINC000106408551 186114418 /nfs/dbraw/zinc/11/44/18/186114418.db2.gz NXDCMOMYKWSEOQ-CYBMUJFWSA-N 0 1 279.340 2.428 20 5 CEBDMN O=C(NCCCCC1CCCC1)c1n[nH]cc1[N+](=O)[O-] ZINC000123044814 187067877 /nfs/dbraw/zinc/06/78/77/187067877.db2.gz JNCFWGJCETUMLS-UHFFFAOYSA-N 0 1 280.328 2.408 20 5 CEBDMN Cc1cccc([N+](=O)[O-])c1NC(=O)CN(C)C1CCC1 ZINC000072722368 363163566 /nfs/dbraw/zinc/16/35/66/363163566.db2.gz WWYIVKPSZMUDGR-UHFFFAOYSA-N 0 1 277.324 2.326 20 5 CEBDMN CC(C)N1C[C@H](N[C@H](C)c2ccc([N+](=O)[O-])cc2)CC1=O ZINC000271535150 191197239 /nfs/dbraw/zinc/19/72/39/191197239.db2.gz SPVGHQNZABCYJA-DGCLKSJQSA-N 0 1 291.351 2.255 20 5 CEBDMN CCN(CC)C(=O)CN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000135128008 187798608 /nfs/dbraw/zinc/79/86/08/187798608.db2.gz BBMLLPLEIGWQBG-LBPRGKRZSA-N 0 1 293.367 2.422 20 5 CEBDMN C[C@@H]1CN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CCS1 ZINC000153991996 188116177 /nfs/dbraw/zinc/11/61/77/188116177.db2.gz JJFOMCDZTBQOEX-MFKMUULPSA-N 0 1 282.365 2.066 20 5 CEBDMN O=[N+]([O-])c1ccn(CCN2CCC[C@H]2c2ccncc2)n1 ZINC000154085917 188122875 /nfs/dbraw/zinc/12/28/75/188122875.db2.gz TYXPBCXQEGEVEO-ZDUSSCGKSA-N 0 1 287.323 2.023 20 5 CEBDMN C[C@@H](O)C(C)(C)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000161153412 188511555 /nfs/dbraw/zinc/51/15/55/188511555.db2.gz MXDSIWSMIIGPDQ-MRVPVSSYSA-N 0 1 272.732 2.497 20 5 CEBDMN CCc1[nH]nc(C(=O)N2CC[C@@H](C)C(C)(C)C2)c1[N+](=O)[O-] ZINC000273554955 192200690 /nfs/dbraw/zinc/20/06/90/192200690.db2.gz AUWDBCLKWRDNLK-SECBINFHSA-N 0 1 294.355 2.389 20 5 CEBDMN CC(C)CNC(=O)CN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000134824719 366362488 /nfs/dbraw/zinc/36/24/88/366362488.db2.gz VSMJUUTXEPFZCU-NSHDSACASA-N 0 1 279.340 2.018 20 5 CEBDMN C[C@@H](Cc1ccccc1[N+](=O)[O-])NCc1nccn1C ZINC000453101032 283472691 /nfs/dbraw/zinc/47/26/91/283472691.db2.gz YCYPFHOYVWZFOF-NSHDSACASA-N 0 1 274.324 2.049 20 5 CEBDMN C[C@@]1(O)CCC[N@@H+](Cc2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC000339140385 366673612 /nfs/dbraw/zinc/67/36/12/366673612.db2.gz DGIDUEDFWWXKSB-CQSZACIVSA-N 0 1 280.324 2.037 20 5 CEBDMN CCOC[C@@H]1CCN(Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000081520720 363724831 /nfs/dbraw/zinc/72/48/31/363724831.db2.gz SUPMREOMKMRYFO-CYBMUJFWSA-N 0 1 294.351 2.462 20 5 CEBDMN Cc1cc(C)c([N+](=O)[O-])c(NCCN2CC=CCC2)n1 ZINC000339978848 366737454 /nfs/dbraw/zinc/73/74/54/366737454.db2.gz WLBBKAQHAXZCOF-UHFFFAOYSA-N 0 1 276.340 2.280 20 5 CEBDMN CC(C)N1CCN(Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000103465884 364656567 /nfs/dbraw/zinc/65/65/67/364656567.db2.gz OWNAGDZYRFYEQS-UHFFFAOYSA-N 0 1 281.331 2.260 20 5 CEBDMN C[C@H](NCc1cncn1C)c1cccc([N+](=O)[O-])c1 ZINC000112343153 364795512 /nfs/dbraw/zinc/79/55/12/364795512.db2.gz LVAUNHNLUFCKIB-JTQLQIEISA-N 0 1 260.297 2.179 20 5 CEBDMN Cc1ccc(C[C@@H](C)NC(=O)c2n[nH]cc2[N+](=O)[O-])s1 ZINC000162619206 367175549 /nfs/dbraw/zinc/17/55/49/367175549.db2.gz ZQRUALUGBOPOLX-SSDOTTSWSA-N 0 1 294.336 2.049 20 5 CEBDMN Cc1nc2ccc(Cn3cnc([N+](=O)[O-])c3)cc2[nH]1 ZINC000342690328 367485726 /nfs/dbraw/zinc/48/57/26/367485726.db2.gz XSOAZQIAZRWBNS-UHFFFAOYSA-N 0 1 257.253 2.024 20 5 CEBDMN CCCN(CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000171680578 367591182 /nfs/dbraw/zinc/59/11/82/367591182.db2.gz ZOPJJRYGSCIBKN-UHFFFAOYSA-N 0 1 291.351 2.432 20 5 CEBDMN CCCN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CC1 ZINC000171680837 367592084 /nfs/dbraw/zinc/59/20/84/367592084.db2.gz LMOCVWSLERUSGM-UHFFFAOYSA-N 0 1 277.324 2.068 20 5 CEBDMN Cc1ccc2c(c1)CC[C@H]2NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000343203234 367704084 /nfs/dbraw/zinc/70/40/84/367704084.db2.gz UQNMQENDDACEHN-LLVKDONJSA-N 0 1 286.291 2.044 20 5 CEBDMN COCC1=CCN(CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000185891447 368882196 /nfs/dbraw/zinc/88/21/96/368882196.db2.gz BYGKLMITSAOMOR-UHFFFAOYSA-N 0 1 292.335 2.252 20 5 CEBDMN CC(C)[C@@H]1CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000330780202 203227183 /nfs/dbraw/zinc/22/71/83/203227183.db2.gz NNOFOYHGCASKAG-SNVBAGLBSA-N 0 1 278.308 2.419 20 5 CEBDMN COc1ccc([N+](=O)[O-])cc1C[N@@H+]1[C@H](C)CC(O)C[C@@H]1C ZINC000191268462 369697044 /nfs/dbraw/zinc/69/70/44/369697044.db2.gz RDYDYVJVRXNPOS-BVUQATHDSA-N 0 1 294.351 2.337 20 5 CEBDMN COc1ccc([N+](=O)[O-])cc1CN1[C@H](C)CC(O)C[C@@H]1C ZINC000191268462 369697048 /nfs/dbraw/zinc/69/70/48/369697048.db2.gz RDYDYVJVRXNPOS-BVUQATHDSA-N 0 1 294.351 2.337 20 5 CEBDMN CCOc1ccc([N+](=O)[O-])cc1CN(CCO)CC1CC1 ZINC000352464318 369743923 /nfs/dbraw/zinc/74/39/23/369743923.db2.gz RRMNBCJQTNHYIM-UHFFFAOYSA-N 0 1 294.351 2.198 20 5 CEBDMN COc1cc(CN(C)CCSC)ccc1[N+](=O)[O-] ZINC000352534995 369776268 /nfs/dbraw/zinc/77/62/68/369776268.db2.gz KXZXYGINNMEOCZ-UHFFFAOYSA-N 0 1 270.354 2.398 20 5 CEBDMN COc1cc([N+](=O)[O-])ccc1CN(C)C[C@@H](C)OC ZINC000353252895 370097271 /nfs/dbraw/zinc/09/72/71/370097271.db2.gz JQKHBTYOXVVTCE-SNVBAGLBSA-N 0 1 268.313 2.070 20 5 CEBDMN CC[N@@H+](C)CCNc1c(F)cc([N+](=O)[O-])cc1F ZINC000227889070 370388194 /nfs/dbraw/zinc/38/81/94/370388194.db2.gz IZFRZHXSCRHSHF-UHFFFAOYSA-N 0 1 259.256 2.237 20 5 CEBDMN C[C@H]1CN(CCn2cc([N+](=O)[O-])cn2)[C@H]1c1ccccc1 ZINC000248369648 371182133 /nfs/dbraw/zinc/18/21/33/371182133.db2.gz WMXMVEULOGYVNE-SWLSCSKDSA-N 0 1 286.335 2.484 20 5 CEBDMN C[C@@]1(F)CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000337315190 214002241 /nfs/dbraw/zinc/00/22/41/214002241.db2.gz JBHKPZCMACUTPR-CQSZACIVSA-N 0 1 295.314 2.357 20 5 CEBDMN CCC[N@@H+](CC(=O)[O-])Cc1cc([N+](=O)[O-])ccc1OCC ZINC000262363754 371855600 /nfs/dbraw/zinc/85/56/00/371855600.db2.gz JQLNPOSNJYEDIR-UHFFFAOYSA-N 0 1 296.323 2.290 20 5 CEBDMN CCN(Cc1ccc([N+](=O)[O-])c(OC)c1)[C@@H]1CCOC1 ZINC000361590758 371958252 /nfs/dbraw/zinc/95/82/52/371958252.db2.gz JXTKFISFHMAUGX-GFCCVEGCSA-N 0 1 280.324 2.214 20 5 CEBDMN COc1cc(CN2CC[C@@H](CO)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000344136788 217068552 /nfs/dbraw/zinc/06/85/52/217068552.db2.gz VAQCFQYJYBHPJH-WCQYABFASA-N 0 1 294.351 2.196 20 5 CEBDMN C[C@H]1CN(Cc2c(Cl)cccc2[N+](=O)[O-])C[C@H]1CO ZINC000362091016 372215298 /nfs/dbraw/zinc/21/52/98/372215298.db2.gz QZJPQHGGVRSAHT-UWVGGRQHSA-N 0 1 284.743 2.308 20 5 CEBDMN CCN(C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-])C(C)C ZINC000269387985 372439326 /nfs/dbraw/zinc/43/93/26/372439326.db2.gz QQSQJCUKSTXZSP-UHFFFAOYSA-N 0 1 268.317 2.312 20 5 CEBDMN CC(C)c1[nH]nc(C(=O)N(C(C)C)C2CC2)c1[N+](=O)[O-] ZINC000269490573 372465480 /nfs/dbraw/zinc/46/54/80/372465480.db2.gz XPZBCGGWKOQOAY-UHFFFAOYSA-N 0 1 280.328 2.454 20 5 CEBDMN CC(C)c1[nH]nc(C(=O)N(C)[C@H]2CCSC2)c1[N+](=O)[O-] ZINC000270228628 372710275 /nfs/dbraw/zinc/71/02/75/372710275.db2.gz PVVNDMWANWBWQW-QMMMGPOBSA-N 0 1 298.368 2.019 20 5 CEBDMN C[C@]1(c2ccccc2)CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000365284822 372818952 /nfs/dbraw/zinc/81/89/52/372818952.db2.gz XILGPFWZZMGAGK-YCPHGPKFSA-N 0 1 288.347 2.232 20 5 CEBDMN O=C(N[C@H]1C[C@H](c2ccc(Cl)cc2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000366522188 373079345 /nfs/dbraw/zinc/07/93/45/373079345.db2.gz NLANVRGNKHYLKW-JHEVNIALSA-N 0 1 294.738 2.367 20 5 CEBDMN O=[N+]([O-])c1cccc(CN2CCC[C@H]3OCC[C@H]32)c1 ZINC000369804456 373512784 /nfs/dbraw/zinc/51/27/84/373512784.db2.gz GRNRUYJSQNAZMH-ZIAGYGMSSA-N 0 1 262.309 2.348 20 5 CEBDMN O=C1OCCC12CCN(Cc1ccccc1[N+](=O)[O-])CC2 ZINC000371151270 373801430 /nfs/dbraw/zinc/80/14/30/373801430.db2.gz MALYIJVYGBXFKA-UHFFFAOYSA-N 0 1 290.319 2.124 20 5 CEBDMN C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)[C@H]1CC1[N+](=O)[O-] ZINC000371923653 374006361 /nfs/dbraw/zinc/00/63/61/374006361.db2.gz JYAWRGOBDMVRQL-RUZUBIRVSA-N 0 1 274.320 2.056 20 5 CEBDMN O=[N+]([O-])c1ccccc1/C=C/CN1CC[C@H](n2cncn2)C1 ZINC000372365628 374107029 /nfs/dbraw/zinc/10/70/29/374107029.db2.gz JEPJHZKQZQFESY-KQIUPUNMSA-N 0 1 299.334 2.147 20 5 CEBDMN COc1ccc([N+](=O)[O-])cc1CN1CCCC[C@@H](CO)C1 ZINC000374055902 374475698 /nfs/dbraw/zinc/47/56/98/374475698.db2.gz WMXPQVMJSBUDDZ-GFCCVEGCSA-N 0 1 294.351 2.198 20 5 CEBDMN CCNC(=O)[C@H](C)N[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000278204589 374751464 /nfs/dbraw/zinc/75/14/64/374751464.db2.gz HCBDDVLGJPMZFY-HZMBPMFUSA-N 0 1 291.351 2.086 20 5 CEBDMN C[C@H]1CCN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000278171133 374741403 /nfs/dbraw/zinc/74/14/03/374741403.db2.gz FUUAYYDISSGDAF-VIFPVBQESA-N 0 1 265.269 2.345 20 5 CEBDMN CC1(C)CN(C/C=C/c2ccccc2[N+](=O)[O-])C[C@@H]1O ZINC000280534322 375235515 /nfs/dbraw/zinc/23/55/15/375235515.db2.gz RYNJMDWRRAHMGN-DYLGSBMWSA-N 0 1 276.336 2.311 20 5 CEBDMN CC1=CCCN(C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])C1 ZINC000280823233 375333274 /nfs/dbraw/zinc/33/32/74/375333274.db2.gz VPULHBLUYUXPDG-UHFFFAOYSA-N 0 1 278.312 2.234 20 5 CEBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CC[C@H]2CCC[C@@H]21 ZINC000408374654 375464126 /nfs/dbraw/zinc/46/41/26/375464126.db2.gz IODJSDQSGIMHJL-RNCFNFMXSA-N 0 1 276.292 2.315 20 5 CEBDMN Cn1cnc([N+](=O)[O-])c1CN1CCC[C@@H]2CCC[C@H]21 ZINC000408308460 375449249 /nfs/dbraw/zinc/44/92/49/375449249.db2.gz ITJSYKGXSREQDW-WDEREUQCSA-N 0 1 264.329 2.093 20 5 CEBDMN COc1cc(CN[C@H]2CSC2(C)C)c([N+](=O)[O-])cc1O ZINC000282587980 375525143 /nfs/dbraw/zinc/52/51/43/375525143.db2.gz BYQJCRYOMJWCNV-LBPRGKRZSA-N 0 1 298.364 2.293 20 5 CEBDMN COC(=O)C[C@H]1CCCN1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000283106411 375655888 /nfs/dbraw/zinc/65/58/88/375655888.db2.gz MBRBYDRNAKDPCS-LLVKDONJSA-N 0 1 296.298 2.261 20 5 CEBDMN CC[N@H+]1CCCC[C@H]1CNc1ccc(N)cc1[N+](=O)[O-] ZINC000283717081 375750012 /nfs/dbraw/zinc/75/00/12/375750012.db2.gz FRLMWVPLISCJTD-LBPRGKRZSA-N 0 1 278.356 2.463 20 5 CEBDMN CC(=O)c1ccc(N[C@H](C)c2n[nH]c(C)n2)c([N+](=O)[O-])c1 ZINC000286386245 375935705 /nfs/dbraw/zinc/93/57/05/375935705.db2.gz MJCRDMMYWWPZED-SSDOTTSWSA-N 0 1 289.295 2.397 20 5 CEBDMN Cc1nc([C@@H](C)Nc2c(F)cc([N+](=O)[O-])cc2F)n[nH]1 ZINC000286640102 376022135 /nfs/dbraw/zinc/02/21/35/376022135.db2.gz VTLFSHVZTBZLHE-RXMQYKEDSA-N 0 1 283.238 2.473 20 5 CEBDMN CC[C@H](C)N(CCO)Cc1ccc([N+](=O)[O-])cc1F ZINC000287593123 376269970 /nfs/dbraw/zinc/26/99/70/376269970.db2.gz YJGNWLONWIRIRY-JTQLQIEISA-N 0 1 270.304 2.327 20 5 CEBDMN COc1cc(CN2CCC[C@@H](C)[C@H]2CO)ccc1[N+](=O)[O-] ZINC000305803686 376496887 /nfs/dbraw/zinc/49/68/87/376496887.db2.gz FQEBHCSHSJHOQH-BXUZGUMPSA-N 0 1 294.351 2.196 20 5 CEBDMN CCc1[nH]nc(C(=O)N2CCC[C@H](C3CC3)C2)c1[N+](=O)[O-] ZINC000290875005 376962204 /nfs/dbraw/zinc/96/22/04/376962204.db2.gz KMUCHADMOBNTNY-JTQLQIEISA-N 0 1 292.339 2.143 20 5 CEBDMN CO[C@@H]1CN([C@H](C)c2cccc([N+](=O)[O-])c2)C[C@H]1OC ZINC000331133270 377296214 /nfs/dbraw/zinc/29/62/14/377296214.db2.gz UPYKYWOUPHRKNS-LERXQTSPSA-N 0 1 280.324 2.001 20 5 CEBDMN CCOc1ccc([N+](=O)[O-])cc1CN1CCC[C@H](O)CC1 ZINC000292978460 377378695 /nfs/dbraw/zinc/37/86/95/377378695.db2.gz BBXPLKIMLLPROR-AWEZNQCLSA-N 0 1 294.351 2.340 20 5 CEBDMN CCOc1cc(CN2CCC[C@H](O)CC2)ccc1[N+](=O)[O-] ZINC000293191272 377464634 /nfs/dbraw/zinc/46/46/34/377464634.db2.gz QFTBFZQVWAUHGJ-ZDUSSCGKSA-N 0 1 294.351 2.340 20 5 CEBDMN CCN(Cc1csc([N+](=O)[O-])c1)CC(C)(C)O ZINC000265076883 190156458 /nfs/dbraw/zinc/15/64/58/190156458.db2.gz YYQTVLRCBKLHDV-UHFFFAOYSA-N 0 1 258.343 2.249 20 5 CEBDMN COc1cc(CN[C@H]2CCOC2(C)C)c([N+](=O)[O-])cc1F ZINC000295260672 378075581 /nfs/dbraw/zinc/07/55/81/378075581.db2.gz RIRSMRDVWIITOE-ZDUSSCGKSA-N 0 1 298.314 2.400 20 5 CEBDMN O=[N+]([O-])c1ccc(N[C@@H]2CCCc3cn[nH]c32)cn1 ZINC000450390245 378389609 /nfs/dbraw/zinc/38/96/09/378389609.db2.gz LLRNCBJBTSELST-SNVBAGLBSA-N 0 1 259.269 2.202 20 5 CEBDMN COc1cccc(NCc2n[nH]c(C3CC3)n2)c1[N+](=O)[O-] ZINC000450627370 378507186 /nfs/dbraw/zinc/50/71/86/378507186.db2.gz JGUUHFSIWPXHKZ-UHFFFAOYSA-N 0 1 289.295 2.211 20 5 CEBDMN CC(C)[C@@H](C)NC(=O)CN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000451099781 378709345 /nfs/dbraw/zinc/70/93/45/378709345.db2.gz NOUUBQHHNRRDCY-NEPJUHHUSA-N 0 1 293.367 2.406 20 5 CEBDMN Cc1[nH]ncc1CNC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000347300228 218183390 /nfs/dbraw/zinc/18/33/90/218183390.db2.gz KKCQSKVUJLFDCP-UHFFFAOYSA-N 0 1 293.258 2.087 20 5 CEBDMN CCSCCNCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000278698731 194110204 /nfs/dbraw/zinc/11/02/04/194110204.db2.gz NNIJZZOYJZSSCO-UHFFFAOYSA-N 0 1 280.353 2.314 20 5 CEBDMN COc1ccc(CN2CCCC[C@H]2[C@H](C)O)cc1[N+](=O)[O-] ZINC000303976669 379501377 /nfs/dbraw/zinc/50/13/77/379501377.db2.gz CIPKAQMDJMJNDF-AAEUAGOBSA-N 0 1 294.351 2.339 20 5 CEBDMN C[C@@H](NC(=O)CN1CC[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000548826123 380568591 /nfs/dbraw/zinc/56/85/91/380568591.db2.gz WESIBVAYJRZIGF-NWDGAFQWSA-N 0 1 291.351 2.114 20 5 CEBDMN CN(CCc1cncn1C)Cc1ccccc1[N+](=O)[O-] ZINC000289427765 197342342 /nfs/dbraw/zinc/34/23/42/197342342.db2.gz VIJGCTUWJRSDGV-UHFFFAOYSA-N 0 1 274.324 2.003 20 5 CEBDMN O=[N+]([O-])c1ccc(CN[C@@H]2CCCc3n[nH]cc32)cc1 ZINC000375803346 285115150 /nfs/dbraw/zinc/11/51/50/285115150.db2.gz ZXYCLRWTDCYRGC-CYBMUJFWSA-N 0 1 272.308 2.485 20 5 CEBDMN O=[N+]([O-])c1cccnc1N[C@@H]1CCCc2cn[nH]c21 ZINC000268897508 285166697 /nfs/dbraw/zinc/16/66/97/285166697.db2.gz ZHTOXEVECUAOLG-SECBINFHSA-N 0 1 259.269 2.202 20 5 CEBDMN O=[N+]([O-])c1ccccc1N1CCN([C@@H]2CCSC2)CC1 ZINC000372461121 285164084 /nfs/dbraw/zinc/16/40/84/285164084.db2.gz ZDIKDVOQJXNMOM-GFCCVEGCSA-N 0 1 293.392 2.222 20 5 CEBDMN C[C@@H](O)[C@@H](C)SCc1cc(O)ccc1[N+](=O)[O-] ZINC000413003489 394458215 /nfs/dbraw/zinc/45/82/15/394458215.db2.gz XDVUDGAFKYABIH-HTQZYQBOSA-N 0 1 257.311 2.303 20 5 CEBDMN Cc1c(C[N@@H+]2CCC[C@H]([C@@H](C)O)C2)cccc1[N+](=O)[O-] ZINC000305180762 394498758 /nfs/dbraw/zinc/49/87/58/394498758.db2.gz NOAXQSQZZGDTFA-OCCSQVGLSA-N 0 1 278.352 2.496 20 5 CEBDMN CC[C@H](C)N1CCN(c2ncc([N+](=O)[O-])cc2F)CC1 ZINC000413310397 394523612 /nfs/dbraw/zinc/52/36/12/394523612.db2.gz CPOBATTVNORAKF-JTQLQIEISA-N 0 1 282.319 2.049 20 5 CEBDMN CC(C)[C@](C)(NCc1ccc(Cl)cc1[N+](=O)[O-])C(N)=O ZINC000312219301 394540195 /nfs/dbraw/zinc/54/01/95/394540195.db2.gz DIBHDIHACLJDBS-ZDUSSCGKSA-N 0 1 299.758 2.238 20 5 CEBDMN Cc1ccc([N+](=O)[O-])c(N2CCN(C)[C@@H](C)[C@H]2C)c1 ZINC000356794841 394615844 /nfs/dbraw/zinc/61/58/44/394615844.db2.gz NNJAROJZOVIYIA-NWDGAFQWSA-N 0 1 263.341 2.432 20 5 CEBDMN C[C@H]1CCN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000331600141 394631759 /nfs/dbraw/zinc/63/17/59/394631759.db2.gz QBZMYZVCHBWZIM-FZMZJTMJSA-N 0 1 289.335 2.042 20 5 CEBDMN Cc1cnc([C@@H]2CCCCN2C(=O)[C@H]2CC2[N+](=O)[O-])s1 ZINC000360829171 394808565 /nfs/dbraw/zinc/80/85/65/394808565.db2.gz MLCGJKYOTXACGX-DCAQKATOSA-N 0 1 295.364 2.170 20 5 CEBDMN CCc1[nH]nc(C(=O)N2CC[C@H](C)C[C@H]2C)c1[N+](=O)[O-] ZINC000278696191 394833418 /nfs/dbraw/zinc/83/34/18/394833418.db2.gz VREUQIGKEUQYRZ-DTWKUNHWSA-N 0 1 280.328 2.141 20 5 CEBDMN CC1CCC2(CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)CC1 ZINC000365300427 394924596 /nfs/dbraw/zinc/92/45/96/394924596.db2.gz ZIDROVZOXKMKLS-BEVNXUHPSA-N 0 1 266.341 2.080 20 5 CEBDMN Cc1cc(N2C[C@H](O)[C@@H](C)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000340790300 394990997 /nfs/dbraw/zinc/99/09/97/394990997.db2.gz XQKRMMNYPMJLHE-VFZGTOFNSA-N 0 1 287.319 2.268 20 5 CEBDMN COc1ccc([N+](=O)[O-])cc1CN1CC[C@]2(CCOC2)C1 ZINC000153582667 395011449 /nfs/dbraw/zinc/01/14/49/395011449.db2.gz KEASIULSOXRDNG-HNNXBMFYSA-N 0 1 292.335 2.216 20 5 CEBDMN Cc1c(C[N@H+]2CCCC[C@@H](CO)C2)cccc1[N+](=O)[O-] ZINC000374035042 395071137 /nfs/dbraw/zinc/07/11/37/395071137.db2.gz BQGODCZALMFAKP-CYBMUJFWSA-N 0 1 278.352 2.498 20 5 CEBDMN CCC1(C)CN(C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])C1 ZINC000291080931 395121678 /nfs/dbraw/zinc/12/16/78/395121678.db2.gz OIQDNDVPMNFXFJ-UHFFFAOYSA-N 0 1 280.328 2.313 20 5 CEBDMN Cc1cc(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)ncn1 ZINC000428938694 395155602 /nfs/dbraw/zinc/15/56/02/395155602.db2.gz JUTHHVWBZVWGRG-UHFFFAOYSA-N 0 1 286.335 2.368 20 5 CEBDMN Cc1cc(CN(C)CCc2cccc([N+](=O)[O-])c2)ncn1 ZINC000428938694 395155606 /nfs/dbraw/zinc/15/56/06/395155606.db2.gz JUTHHVWBZVWGRG-UHFFFAOYSA-N 0 1 286.335 2.368 20 5 CEBDMN Cn1cc([N+](=O)[O-])cc1C(=O)Nc1ccc2nc[nH]c2c1 ZINC000520109092 395234102 /nfs/dbraw/zinc/23/41/02/395234102.db2.gz LWAQBVPOILLLNM-UHFFFAOYSA-N 0 1 285.263 2.062 20 5 CEBDMN CCOCCO[C@@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000355211079 395368229 /nfs/dbraw/zinc/36/82/29/395368229.db2.gz ULYSEGLMPSVCOW-OAHLLOKOSA-N 0 1 294.351 2.222 20 5 CEBDMN C[C@@H]1CC[C@H](NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000444480188 395434039 /nfs/dbraw/zinc/43/40/39/395434039.db2.gz JWZOEQWVCLPCPX-BDAKNGLRSA-N 0 1 288.307 2.390 20 5 CEBDMN CO[C@H]1CC[N@@H+](Cc2cc([O-])ccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000330436722 286059361 /nfs/dbraw/zinc/05/93/61/286059361.db2.gz BLBXQUZIWWBDRB-GWCFXTLKSA-N 0 1 280.324 2.300 20 5 CEBDMN CCCc1nsc(NCCc2cccc([N+](=O)[O-])c2)n1 ZINC000360092221 155216895 /nfs/dbraw/zinc/21/68/95/155216895.db2.gz ZLFVSIKPDAUJFO-UHFFFAOYSA-N 0 1 292.364 2.475 20 5 CEBDMN O=[N+]([O-])c1cc(F)ccc1N1CCN2CCC1CC2 ZINC000302764477 154190872 /nfs/dbraw/zinc/19/08/72/154190872.db2.gz LCTOWNLBFWLFIM-UHFFFAOYSA-N 0 1 265.288 2.018 20 5 CEBDMN O=C(N[C@@H]1CC[C@H](c2ccccc2)C1)[C@H]1CC1[N+](=O)[O-] ZINC000367486586 156195500 /nfs/dbraw/zinc/19/55/00/156195500.db2.gz SOYIKMMWMWOEJE-CRWXNKLISA-N 0 1 274.320 2.104 20 5 CEBDMN O=[N+]([O-])c1cccc(CN2CCC23CCOCC3)c1 ZINC000376109190 157185091 /nfs/dbraw/zinc/18/50/91/157185091.db2.gz DFAGTAYGKOQUPW-UHFFFAOYSA-N 0 1 262.309 2.350 20 5 CEBDMN C[C@H](C[N@@H+](Cc1csc([N+](=O)[O-])c1)C1CC1)C(=O)[O-] ZINC000566743111 299020479 /nfs/dbraw/zinc/02/04/79/299020479.db2.gz HHEYFPXRJRTSIF-MRVPVSSYSA-N 0 1 284.337 2.341 20 5 CEBDMN Cc1nc([C@@H](C)N[C@H](C)c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000392369968 270340137 /nfs/dbraw/zinc/34/01/37/270340137.db2.gz KMLODGDDOKIBSU-RKDXNWHRSA-N 0 1 275.312 2.433 20 5 CEBDMN COc1ccc(CN2C[C@@H](C)C[C@H](CO)C2)cc1[N+](=O)[O-] ZINC000398697959 270361008 /nfs/dbraw/zinc/36/10/08/270361008.db2.gz RXEJVRZBTSLHRN-AAEUAGOBSA-N 0 1 294.351 2.054 20 5 CEBDMN COc1ccc(CN2C[C@H](C)C[C@H](CO)C2)cc1[N+](=O)[O-] ZINC000398697965 270361315 /nfs/dbraw/zinc/36/13/15/270361315.db2.gz RXEJVRZBTSLHRN-YPMHNXCESA-N 0 1 294.351 2.054 20 5 CEBDMN COc1ccc([N+](=O)[O-])cc1CN1C[C@H](C)C[C@H](CO)C1 ZINC000398698603 270361493 /nfs/dbraw/zinc/36/14/93/270361493.db2.gz SCIDZTXFAKEYNW-NEPJUHHUSA-N 0 1 294.351 2.054 20 5 CEBDMN COc1cc(CN[C@@H]2CC23CC3)c([N+](=O)[O-])cc1OC ZINC000424182281 271029778 /nfs/dbraw/zinc/02/97/78/271029778.db2.gz GKMGQAXCYJRHEL-CYBMUJFWSA-N 0 1 278.308 2.254 20 5 CEBDMN Cc1cc(N2CC[C@@H](c3nc[nH]n3)C2)c(F)cc1[N+](=O)[O-] ZINC000425283074 271152547 /nfs/dbraw/zinc/15/25/47/271152547.db2.gz LRUBFJFZVSESHU-SECBINFHSA-N 0 1 291.286 2.154 20 5 CEBDMN CCn1nccc1CN(C)CCc1ccc([N+](=O)[O-])cc1 ZINC000429726124 271344025 /nfs/dbraw/zinc/34/40/25/271344025.db2.gz QJJZXSSXRLUXQP-UHFFFAOYSA-N 0 1 288.351 2.486 20 5 CEBDMN COCCN1CCN(c2cccc(C)c2[N+](=O)[O-])C[C@@H]1C ZINC000275426516 274031268 /nfs/dbraw/zinc/03/12/68/274031268.db2.gz IIMZMAGHRVRKBQ-ZDUSSCGKSA-N 0 1 293.367 2.060 20 5 CEBDMN C[C@@H]1CN(Cc2c(F)cc([N+](=O)[O-])cc2F)[C@H](C)CN1C ZINC000351760320 274352938 /nfs/dbraw/zinc/35/29/38/274352938.db2.gz UHNGWRSRXRLICS-NXEZZACHSA-N 0 1 299.321 2.397 20 5 CEBDMN CN(C)[C@@H](CNc1cc(N)ccc1[N+](=O)[O-])c1ccco1 ZINC000192764063 276827839 /nfs/dbraw/zinc/82/78/39/276827839.db2.gz RYDCBBSRWRJMTQ-ZDUSSCGKSA-N 0 1 290.323 2.485 20 5 CEBDMN C[C@@H]1C[C@@H](NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@@H](C)O1 ZINC000296842920 278921964 /nfs/dbraw/zinc/92/19/64/278921964.db2.gz OIJVAOBCXSLYKY-KBVBSXBZSA-N 0 1 290.323 2.127 20 5 CEBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@H]1CCCCNC1=O ZINC000134079552 280012559 /nfs/dbraw/zinc/01/25/59/280012559.db2.gz VUFZACHNNXAUFE-RISCZKNCSA-N 0 1 291.351 2.223 20 5 CEBDMN O=C(NCc1cccc2ccccc21)c1n[nH]cc1[N+](=O)[O-] ZINC000135111760 280037660 /nfs/dbraw/zinc/03/76/60/280037660.db2.gz HILFBZQMCNGCTM-UHFFFAOYSA-N 0 1 296.286 2.401 20 5 CEBDMN Cc1ccc([C@@H](C)NC(=O)c2n[nH]cc2[N+](=O)[O-])cc1 ZINC000135106761 280037662 /nfs/dbraw/zinc/03/76/62/280037662.db2.gz KDFACHKTZFDKJG-SECBINFHSA-N 0 1 274.280 2.117 20 5 CEBDMN C[C@@H](NCCOc1ccc([N+](=O)[O-])cc1)c1ccn(C)n1 ZINC000459798890 290244860 /nfs/dbraw/zinc/24/48/60/290244860.db2.gz UVRMKFCVLKBZFH-LLVKDONJSA-N 0 1 290.323 2.058 20 5 CEBDMN Cc1nc(CSc2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000488252798 290385943 /nfs/dbraw/zinc/38/59/43/290385943.db2.gz KKBYFKHCGUGLSN-UHFFFAOYSA-N 0 1 250.283 2.314 20 5 CEBDMN Cc1nc(N2CCCC[C@H]2c2nnc[nH]2)ccc1[N+](=O)[O-] ZINC000294871030 293294688 /nfs/dbraw/zinc/29/46/88/293294688.db2.gz DEGGSBQOYYFBOX-NSHDSACASA-N 0 1 288.311 2.148 20 5 CEBDMN CC/C=C/CCN1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000547350510 298364312 /nfs/dbraw/zinc/36/43/12/298364312.db2.gz ZPCGYRLBYSGBAN-ONEGZZNKSA-N 0 1 290.367 2.468 20 5 CEBDMN CCOc1cc(C[N@@H+](CC(=O)[O-])C(C)C)ccc1[N+](=O)[O-] ZINC000566567726 299004226 /nfs/dbraw/zinc/00/42/26/299004226.db2.gz VMJRICIVHVONAC-UHFFFAOYSA-N 0 1 296.323 2.289 20 5 CEBDMN C[C@H]1CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C[C@H](C)S1 ZINC000543735779 313463999 /nfs/dbraw/zinc/46/39/99/313463999.db2.gz DGTIIBLVSCRGRV-IUCAKERBSA-N 0 1 296.348 2.266 20 5 CEBDMN C[C@@H]1C[C@H](Nc2ncc([N+](=O)[O-])cc2F)CN1C1CC1 ZINC000574137691 314189134 /nfs/dbraw/zinc/18/91/34/314189134.db2.gz DLOJKROKOPTUMP-BDAKNGLRSA-N 0 1 280.303 2.166 20 5 CEBDMN O=[N+]([O-])c1ccccc1CN1CC[C@@H](Nc2ncccn2)C1 ZINC000584232623 327071237 /nfs/dbraw/zinc/07/12/37/327071237.db2.gz FOQHKRDXWZLSDB-CYBMUJFWSA-N 0 1 299.334 2.071 20 5 CEBDMN Cc1ccc(CN(C)CCc2cccc([N+](=O)[O-])c2)nn1 ZINC000414436928 533874351 /nfs/dbraw/zinc/87/43/51/533874351.db2.gz CKKQMLJMKKSSGP-UHFFFAOYSA-N 0 1 286.335 2.368 20 5 CEBDMN C[C@H](Nc1ccc2ncccc2c1[N+](=O)[O-])c1nnc[nH]1 ZINC000226500140 525663536 /nfs/dbraw/zinc/66/35/36/525663536.db2.gz BDHBUSJOZSLKDX-QMMMGPOBSA-N 0 1 284.279 2.434 20 5 CEBDMN O=[N+]([O-])c1cccc(F)c1N[C@H]1CCc2[nH]cnc2C1 ZINC000357576912 534886433 /nfs/dbraw/zinc/88/64/33/534886433.db2.gz DTMQJIYJXPDMAI-QMMMGPOBSA-N 0 1 276.271 2.426 20 5 CEBDMN O=C(CN1CCC[C@H]1C1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000363384019 526758303 /nfs/dbraw/zinc/75/83/03/526758303.db2.gz FBKGTPKXCLLONB-ZDUSSCGKSA-N 0 1 289.335 2.408 20 5 CEBDMN CC[C@@H]1CCCN1Cn1nc(C)c([N+](=O)[O-])c1C ZINC000727824441 574456394 /nfs/dbraw/zinc/45/63/94/574456394.db2.gz PPRHCLWIPBPKGY-LLVKDONJSA-N 0 1 252.318 2.240 20 5 CEBDMN CCN1CCN(Cc2cc(F)ccc2[N+](=O)[O-])C[C@@H]1C ZINC000754372794 574581714 /nfs/dbraw/zinc/58/17/14/574581714.db2.gz KFOAXNZSVLJNNM-NSHDSACASA-N 0 1 281.331 2.260 20 5 CEBDMN CCc1cc(CNC(=O)c2cc(C)cc([N+](=O)[O-])c2)n[nH]1 ZINC000732790920 574630078 /nfs/dbraw/zinc/63/00/78/574630078.db2.gz OLIUAXMBLGYLCU-UHFFFAOYSA-N 0 1 288.307 2.119 20 5 CEBDMN C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](CNC(=O)[O-])C1 ZINC000739060780 574891908 /nfs/dbraw/zinc/89/19/08/574891908.db2.gz VRNCCFSVYLDPCK-MNOVXSKESA-N 0 1 293.323 2.245 20 5 CEBDMN CC(C)C[C@H]1CN(C)CCN1Cc1cccnc1[N+](=O)[O-] ZINC000933254831 623561614 /nfs/dbraw/zinc/56/16/14/623561614.db2.gz WNMWTMSEDJSZNB-AWEZNQCLSA-N 0 1 292.383 2.152 20 5 CEBDMN CN(C)[C@H](CNc1c([N+](=O)[O-])cnn1C)c1ccsc1 ZINC000891728074 623930337 /nfs/dbraw/zinc/93/03/37/623930337.db2.gz JDLNQVGRONVUFI-SNVBAGLBSA-N 0 1 295.368 2.105 20 5 CEBDMN COc1cc(N2CCN(C(C)C)CC2)c([N+](=O)[O-])cc1C ZINC000820619463 634477490 /nfs/dbraw/zinc/47/74/90/634477490.db2.gz PCRQPVKPGUPPJO-UHFFFAOYSA-N 0 1 293.367 2.442 20 5 CEBDMN C[N@H+](Cc1cc(F)ccc1[N+](=O)[O-])C[C@@H]1CCOC1 ZINC000178356511 628192444 /nfs/dbraw/zinc/19/24/44/628192444.db2.gz SXIFFHRWVXUZLV-JTQLQIEISA-N 0 1 268.288 2.202 20 5 CEBDMN CN(Cc1cc(F)ccc1[N+](=O)[O-])C[C@@H]1CCOC1 ZINC000178356511 628192448 /nfs/dbraw/zinc/19/24/48/628192448.db2.gz SXIFFHRWVXUZLV-JTQLQIEISA-N 0 1 268.288 2.202 20 5 CEBDMN O=C(OCCCc1ccoc1)c1ccc([N+](=O)[O-])[nH]1 ZINC000893339182 628367073 /nfs/dbraw/zinc/36/70/73/628367073.db2.gz ZIHRMWGDLGAVJO-UHFFFAOYSA-N 0 1 264.237 2.306 20 5 CEBDMN CC1CCC(N(C)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000123893242 628476249 /nfs/dbraw/zinc/47/62/49/628476249.db2.gz TYGKXSZVLJFRBS-UHFFFAOYSA-N 0 1 252.318 2.259 20 5 CEBDMN O=[N+]([O-])CCN1CCC[C@H](c2c[nH]c3ncccc23)C1 ZINC000931372790 628545841 /nfs/dbraw/zinc/54/58/41/628545841.db2.gz PXTUUDADKPYDKE-NSHDSACASA-N 0 1 274.324 2.019 20 5 CEBDMN CC[C@@H](C)NC(=O)CN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000932181815 628983754 /nfs/dbraw/zinc/98/37/54/628983754.db2.gz DRWBSENCTPNMNK-GHMZBOCLSA-N 0 1 279.340 2.160 20 5 CEBDMN Cc1nonc1[C@H](C)NCCc1ccc([N+](=O)[O-])cc1 ZINC000924954797 629292142 /nfs/dbraw/zinc/29/21/42/629292142.db2.gz JXGSARHULKGXKM-VIFPVBQESA-N 0 1 276.296 2.180 20 5 CEBDMN C[C@@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccc(F)cc1 ZINC000840672349 629308251 /nfs/dbraw/zinc/30/82/51/629308251.db2.gz IRFUQWQSHWFHKX-AVPPRXQKSA-N 0 1 253.229 2.095 20 5 CEBDMN C[C@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccc(F)cc1 ZINC000840672351 629308663 /nfs/dbraw/zinc/30/86/63/629308663.db2.gz IRFUQWQSHWFHKX-WHGOUJPWSA-N 0 1 253.229 2.095 20 5 CEBDMN CC[C@H](CNCc1ccc([N+](=O)[O-])cc1F)C(=O)OC ZINC000895122049 629924833 /nfs/dbraw/zinc/92/48/33/629924833.db2.gz JUWXQUUNZPYUSF-SECBINFHSA-N 0 1 284.287 2.023 20 5 CEBDMN COc1cc(CN2CC[C@@H](CF)C2)c([N+](=O)[O-])cc1OC ZINC000895573309 630254168 /nfs/dbraw/zinc/25/41/68/630254168.db2.gz KZGWLHCQFIPCFF-JTQLQIEISA-N 0 1 298.314 2.403 20 5 CEBDMN CC(C)N(Cc1cccc(F)c1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840282653 632646491 /nfs/dbraw/zinc/64/64/91/632646491.db2.gz CUFDGKGAZDXLKK-CHWSQXEVSA-N 0 1 280.299 2.228 20 5 CEBDMN O=C(N[C@H]1CCCC[C@@H]1c1ccccc1)[C@@H]1CC1[N+](=O)[O-] ZINC000840285082 632654497 /nfs/dbraw/zinc/65/44/97/632654497.db2.gz DBYNJKOYKIVMKZ-APIJFGDWSA-N 0 1 288.347 2.494 20 5 CEBDMN O=[N+]([O-])CCSc1nc(-c2ccc3c(c2)CCC3)n[nH]1 ZINC000899876298 633068679 /nfs/dbraw/zinc/06/86/79/633068679.db2.gz CDOANVOOJVECNP-UHFFFAOYSA-N 0 1 290.348 2.329 20 5 CEBDMN C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H]2[C@@H](C1)[C@H]2C(=O)[O-] ZINC000903627104 635189296 /nfs/dbraw/zinc/18/92/96/635189296.db2.gz DJTPNKBDGZPWCL-WTDIUWLJSA-N 0 1 290.319 2.308 20 5 CEBDMN O=[N+]([O-])c1cc2c([nH]c1=NOC[C@H]1CCOC1)CCCC2 ZINC000825989498 635741925 /nfs/dbraw/zinc/74/19/25/635741925.db2.gz DKGBVDCEPXNONH-JTQLQIEISA-N 0 1 293.323 2.249 20 5 CEBDMN COC(=O)N(C)CCN(C)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000827335541 636297872 /nfs/dbraw/zinc/29/78/72/636297872.db2.gz PNDVPQAHBOVYBC-UHFFFAOYSA-N 0 1 295.339 2.033 20 5 CEBDMN O=[N+]([O-])c1ccc(-c2cnc([C@@H]3CCCCN3)nc2)cn1 ZINC000906170785 636632680 /nfs/dbraw/zinc/63/26/80/636632680.db2.gz JOGFYUOLVVXGGH-LBPRGKRZSA-N 0 1 285.307 2.261 20 5 CEBDMN Cc1cc(F)ccc1[C@@H](C)OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000906368433 636719448 /nfs/dbraw/zinc/71/94/48/636719448.db2.gz ZEKVEFBTCJJWJP-GGZOMVNGSA-N 0 1 267.256 2.404 20 5 CEBDMN O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000829624788 636896293 /nfs/dbraw/zinc/89/62/93/636896293.db2.gz QMELGSBJNWQQIQ-YGRLFVJLSA-N 0 1 280.299 2.345 20 5 CEBDMN O=[N+]([O-])c1ccc(F)cc1CN1CC[C@@H]2OCC[C@@H]2C1 ZINC000829624788 636896297 /nfs/dbraw/zinc/89/62/97/636896297.db2.gz QMELGSBJNWQQIQ-YGRLFVJLSA-N 0 1 280.299 2.345 20 5 CEBDMN CN(C[Si](C)(C)C)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000911727378 638378956 /nfs/dbraw/zinc/37/89/56/638378956.db2.gz LTFKCFNVVHOJDY-UHFFFAOYSA-N 0 1 282.372 2.250 20 5 CEBDMN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CCNC(C)(C)C1 ZINC000876872968 650467365 /nfs/dbraw/zinc/46/73/65/650467365.db2.gz SITNVHNJGWKEBK-UHFFFAOYSA-N 0 1 291.351 2.036 20 5 CEBDMN O=[N+]([O-])c1ccc2nc(SCc3nn[nH]n3)sc2c1 ZINC000913396439 639270451 /nfs/dbraw/zinc/27/04/51/639270451.db2.gz KMEFLHGYJCDVGR-UHFFFAOYSA-N 0 1 294.321 2.010 20 5 CEBDMN CC1=C(C(=O)OCc2cc(O)ccc2[N+](=O)[O-])CCCO1 ZINC000837598610 639302099 /nfs/dbraw/zinc/30/20/99/639302099.db2.gz SKFMXKWUXHCCAB-UHFFFAOYSA-N 0 1 293.275 2.428 20 5 CEBDMN COCCC[C@H](C)C(=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837619904 639311441 /nfs/dbraw/zinc/31/14/41/639311441.db2.gz FWDUOAKZILMGSV-JTQLQIEISA-N 0 1 297.307 2.406 20 5 CEBDMN CSC1(C(=O)OCc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000837662455 639332175 /nfs/dbraw/zinc/33/21/75/639332175.db2.gz LGPSAODMWMLTFN-UHFFFAOYSA-N 0 1 283.305 2.239 20 5 CEBDMN O=C(OCc1cccc(F)c1Cl)[C@@H]1CC1[N+](=O)[O-] ZINC000840670974 639521627 /nfs/dbraw/zinc/52/16/27/639521627.db2.gz ZYODZCJQZZODQX-VXNVDRBHSA-N 0 1 273.647 2.188 20 5 CEBDMN CN(CCCCCO)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000227113669 639573473 /nfs/dbraw/zinc/57/34/73/639573473.db2.gz IEEYDMDWPNHCDS-UHFFFAOYSA-N 0 1 270.304 2.328 20 5 CEBDMN CC(C)(C)CN(CC(F)(F)F)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000841107017 639683568 /nfs/dbraw/zinc/68/35/68/639683568.db2.gz NXQNYSREODFGEQ-HTQZYQBOSA-N 0 1 282.262 2.089 20 5 CEBDMN CC(C)(C)c1ncc(COC(=O)[C@@H]2CC2[N+](=O)[O-])s1 ZINC000841201093 639705130 /nfs/dbraw/zinc/70/51/30/639705130.db2.gz SAZYJSNFZZPVLR-RKDXNWHRSA-N 0 1 284.337 2.149 20 5 CEBDMN C/C=C\c1ccc(OC(=O)[C@@H]2CC2[N+](=O)[O-])c(OC)c1 ZINC000842283185 639997109 /nfs/dbraw/zinc/99/71/09/639997109.db2.gz UHBZCQRFKNYVIJ-ANDSXOESSA-N 0 1 277.276 2.299 20 5 CEBDMN CCO[C@H]1C[C@H](OC(=O)[C@@H]2CC2[N+](=O)[O-])C12CCCCC2 ZINC000842314420 640009608 /nfs/dbraw/zinc/00/96/08/640009608.db2.gz YSIYGXNAWVHXBT-NDBYEHHHSA-N 0 1 297.351 2.323 20 5 CEBDMN CC(C)[C@@H](Cc1ccccc1)OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000842337239 640020212 /nfs/dbraw/zinc/02/02/12/640020212.db2.gz BAHCQOZSGHFQSN-MGPQQGTHSA-N 0 1 277.320 2.462 20 5 CEBDMN CCCN[C@H](C)c1nc(-c2ccc([N+](=O)[O-])o2)no1 ZINC000843238812 640365225 /nfs/dbraw/zinc/36/52/25/640365225.db2.gz ZZFAFHFSQZTBTB-SSDOTTSWSA-N 0 1 266.257 2.298 20 5 CEBDMN CCON(C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-])C(C)C ZINC000844075681 640594374 /nfs/dbraw/zinc/59/43/74/640594374.db2.gz QQZIUPRMHYDHKT-UHFFFAOYSA-N 0 1 284.316 2.243 20 5 CEBDMN CCCc1[nH]nc(C(=O)N(OCC)C(C)C)c1[N+](=O)[O-] ZINC000844078035 640595860 /nfs/dbraw/zinc/59/58/60/640595860.db2.gz UWSFDNBEJOFHKX-UHFFFAOYSA-N 0 1 284.316 2.073 20 5 CEBDMN CSc1cc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])ccc1C ZINC000845034358 640892784 /nfs/dbraw/zinc/89/27/84/640892784.db2.gz SGOGQYBNCCRWHL-NXEZZACHSA-N 0 1 266.322 2.321 20 5 CEBDMN O=C([O-])[C@]12CCC[C@@H]1C[N@@H+](Cc1ccccc1[N+](=O)[O-])C2 ZINC000846286073 641260964 /nfs/dbraw/zinc/26/09/64/641260964.db2.gz XXWYUONJBJHHCO-DOMZBBRYSA-N 0 1 290.319 2.282 20 5 CEBDMN Cc1nn(C[N@H+](C)C2CC2)c2cc([N+](=O)[O-])ccc12 ZINC000179543564 641362154 /nfs/dbraw/zinc/36/21/54/641362154.db2.gz XUZMXKYAJJKGDR-UHFFFAOYSA-N 0 1 260.297 2.305 20 5 CEBDMN Cc1nn(CN(C)C2CC2)c2cc([N+](=O)[O-])ccc12 ZINC000179543564 641362159 /nfs/dbraw/zinc/36/21/59/641362159.db2.gz XUZMXKYAJJKGDR-UHFFFAOYSA-N 0 1 260.297 2.305 20 5 CEBDMN CN[C@@H](C)c1nc(-c2ccc(C)c([N+](=O)[O-])c2)no1 ZINC000848620682 642076549 /nfs/dbraw/zinc/07/65/49/642076549.db2.gz FYGCNUJAHXEIPO-QMMMGPOBSA-N 0 1 262.269 2.234 20 5 CEBDMN CCc1nc([C@H](C)OC(=O)c2ccccc2[N+](=O)[O-])n[nH]1 ZINC000849628134 642374096 /nfs/dbraw/zinc/37/40/96/642374096.db2.gz KGKJKNRIZCKLEL-QMMMGPOBSA-N 0 1 290.279 2.193 20 5 CEBDMN Cc1c(CN2CC(C(C)(C)O)C2)cccc1[N+](=O)[O-] ZINC000877581271 650799532 /nfs/dbraw/zinc/79/95/32/650799532.db2.gz TYSIDBGOISIGPJ-UHFFFAOYSA-N 0 1 264.325 2.106 20 5 CEBDMN C/C(=C/C[N@@H+](C)CCc1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC000851707616 643118230 /nfs/dbraw/zinc/11/82/30/643118230.db2.gz HEDBGZVHGARALC-XFFZJAGNSA-N 0 1 278.308 2.100 20 5 CEBDMN Cc1noc(CN2CCCC23CCC3)c1[N+](=O)[O-] ZINC000851990018 643256171 /nfs/dbraw/zinc/25/61/71/643256171.db2.gz NCOSRNMPRRSWSK-UHFFFAOYSA-N 0 1 251.286 2.410 20 5 CEBDMN O=[N+]([O-])c1ccc(N2CCCc3[nH]ncc3C2)c(F)c1 ZINC000852968786 643611534 /nfs/dbraw/zinc/61/15/34/643611534.db2.gz ZLJCHWDXWKAQGE-UHFFFAOYSA-N 0 1 276.271 2.410 20 5 CEBDMN CC(=O)C1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000111728752 643947288 /nfs/dbraw/zinc/94/72/88/643947288.db2.gz FUOYKVJBHHTIBE-UHFFFAOYSA-N 0 1 262.309 2.396 20 5 CEBDMN CCN(CC)Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000753850480 644285962 /nfs/dbraw/zinc/28/59/62/644285962.db2.gz MKJLJARKGGYPTM-UHFFFAOYSA-N 0 1 276.296 2.487 20 5 CEBDMN CN(CCC1OCCCO1)Cc1ccccc1[N+](=O)[O-] ZINC000754640155 644406135 /nfs/dbraw/zinc/40/61/35/644406135.db2.gz SLNHQMULXGLTBR-UHFFFAOYSA-N 0 1 280.324 2.180 20 5 CEBDMN O=C(OCCC[C@@H]1CCCO1)c1ccc([N+](=O)[O-])[nH]1 ZINC000756068221 644599845 /nfs/dbraw/zinc/59/98/45/644599845.db2.gz XCHSIVQYTLWTSJ-VIFPVBQESA-N 0 1 268.269 2.039 20 5 CEBDMN O=[N+]([O-])c1cccc2c1CCN(CCC1OCCCO1)C2 ZINC000757164824 644739222 /nfs/dbraw/zinc/73/92/22/644739222.db2.gz XTOLKGNQDMXUOK-UHFFFAOYSA-N 0 1 292.335 2.106 20 5 CEBDMN O=C(N[C@@H](c1ccccc1)C1CCC1)[C@@H]1CC1[N+](=O)[O-] ZINC000839686702 644773728 /nfs/dbraw/zinc/77/37/28/644773728.db2.gz OYTFFYACSABTBO-MCIONIFRSA-N 0 1 274.320 2.309 20 5 CEBDMN O=C(Nc1ccc(CC(F)(F)F)cc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839689113 644774193 /nfs/dbraw/zinc/77/41/93/644774193.db2.gz JLNQVETWIAXUPR-NXEZZACHSA-N 0 1 288.225 2.395 20 5 CEBDMN C[C@H]1C[C@@H](c2ccccc2)CN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839683935 644784445 /nfs/dbraw/zinc/78/44/45/644784445.db2.gz SBAIJVGDSDDNRI-IGHBBLSQSA-N 0 1 274.320 2.056 20 5 CEBDMN C[C@H]1CCc2ccccc2[C@@H]1NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839715270 644789972 /nfs/dbraw/zinc/78/99/72/644789972.db2.gz CLTPSRCMIYYCPM-KQURDKLPSA-N 0 1 274.320 2.091 20 5 CEBDMN Cc1cc(C)cc([C@H]2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)c1 ZINC000839722646 644792622 /nfs/dbraw/zinc/79/26/22/644792622.db2.gz AYFZIKHEBKRNLM-NWANDNLSSA-N 0 1 288.347 2.285 20 5 CEBDMN C[C@@H]1C[C@H](C(C)(C)C)CCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839768317 644799086 /nfs/dbraw/zinc/79/90/86/644799086.db2.gz BYKGOYGSTLTKEJ-DDHJBXDOSA-N 0 1 268.357 2.325 20 5 CEBDMN CC(C)Oc1cccc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 ZINC000839781846 644815146 /nfs/dbraw/zinc/81/51/46/644815146.db2.gz ANKSMWZSPFCORX-VXGBXAGGSA-N 0 1 264.281 2.078 20 5 CEBDMN CCC[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])C1CCCC1 ZINC000839798726 645818244 /nfs/dbraw/zinc/81/82/44/645818244.db2.gz QENGXMJZPNVMHO-GRYCIOLGSA-N 0 1 254.330 2.127 20 5 CEBDMN C[C@H]1CN(c2ccc([N+](=O)[O-])cc2F)[C@@H](C)CN1C ZINC000768525713 646135717 /nfs/dbraw/zinc/13/57/17/646135717.db2.gz KHHOSJHPPXLLPM-UWVGGRQHSA-N 0 1 267.304 2.263 20 5 CEBDMN C[C@H]1[C@H](C)N(Cc2cc(F)ccc2[N+](=O)[O-])CCN1C ZINC000771458309 646521363 /nfs/dbraw/zinc/52/13/63/646521363.db2.gz GIVCECDYALEYKI-QWRGUYRKSA-N 0 1 281.331 2.258 20 5 CEBDMN O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2NCc2ccon2)n1 ZINC000774206202 646818845 /nfs/dbraw/zinc/81/88/45/646818845.db2.gz DAVMIKPAGOFSCN-NWDGAFQWSA-N 0 1 291.311 2.053 20 5 CEBDMN Cc1nn(CN(CC2CC2)C(C)C)cc1[N+](=O)[O-] ZINC000779859958 647366540 /nfs/dbraw/zinc/36/65/40/647366540.db2.gz QLAWBCYPJDHRRE-UHFFFAOYSA-N 0 1 252.318 2.178 20 5 CEBDMN C[C@@H](Cc1ccco1)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000780361367 647420760 /nfs/dbraw/zinc/42/07/60/647420760.db2.gz HUYCWTPSATVZLO-VIFPVBQESA-N 0 1 290.275 2.254 20 5 CEBDMN Cc1ccc(CNCc2cnn3c2CCC3)cc1[N+](=O)[O-] ZINC000865787071 647463799 /nfs/dbraw/zinc/46/37/99/647463799.db2.gz GIZJOLLJIXESCE-UHFFFAOYSA-N 0 1 286.335 2.336 20 5 CEBDMN C[C@H](N[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1ccnn1C ZINC000866612898 647842244 /nfs/dbraw/zinc/84/22/44/647842244.db2.gz DFRUSMOCXOSXBG-UWVGGRQHSA-N 0 1 289.339 2.322 20 5 CEBDMN C[C@@H]1C[C@@H](C(=O)OCc2cc(O)ccc2[N+](=O)[O-])[C@H](C)O1 ZINC000869652637 648551208 /nfs/dbraw/zinc/55/12/08/648551208.db2.gz WAFIHXWNSYTXNK-VDDIYKPWSA-N 0 1 295.291 2.157 20 5 CEBDMN C[C@@H](NCCn1ccnc1)c1c(F)cccc1[N+](=O)[O-] ZINC000872019014 649242850 /nfs/dbraw/zinc/24/28/50/649242850.db2.gz RWMPADMRTAYWAJ-SNVBAGLBSA-N 0 1 278.287 2.281 20 5 CEBDMN CC(C)[C@@H](O)CN[C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872034854 649248431 /nfs/dbraw/zinc/24/84/31/649248431.db2.gz LQZRNLUAWSITIU-SKDRFNHKSA-N 0 1 270.304 2.401 20 5 CEBDMN C[C@@H](N[C@@H]1CCC[C@H]1O)c1c(F)cccc1[N+](=O)[O-] ZINC000872078917 649266019 /nfs/dbraw/zinc/26/60/19/649266019.db2.gz UKTFOLMRTZSUHL-HLUHBDAQSA-N 0 1 268.288 2.298 20 5 CEBDMN C[C@H](N[C@@H](CO)CCF)c1c(F)cccc1[N+](=O)[O-] ZINC000872085513 649268950 /nfs/dbraw/zinc/26/89/50/649268950.db2.gz ZIZGTKMQDXSKTJ-DTWKUNHWSA-N 0 1 274.267 2.105 20 5 CEBDMN C[C@]1(C(F)(F)F)CCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000880000498 651371920 /nfs/dbraw/zinc/37/19/20/651371920.db2.gz ILBQGTZQQISZSB-JTQLQIEISA-N 0 1 292.261 2.066 20 5 CEBDMN CC(C)CN1CCN(c2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000301726348 719328678 /nfs/dbraw/zinc/32/86/78/719328678.db2.gz ALKKNDLNOHXGIP-UHFFFAOYSA-N 0 1 298.774 2.421 20 5 CEBDMN CCCCO[C@@H]1C[C@H](N(C)C(=O)[C@@H]2CC2[N+](=O)[O-])C1(C)C ZINC001126918788 806809036 /nfs/dbraw/zinc/80/90/36/806809036.db2.gz KOZSHGXIUMGLCE-FVCCEPFGSA-N 0 1 298.383 2.094 20 5 CEBDMN O=[N+]([O-])c1cc(Cl)ccc1CN[C@H]1CC12CC(O)C2 ZINC000724997878 803384099 /nfs/dbraw/zinc/38/40/99/803384099.db2.gz KSIYNJVYXOGHNF-YDGIUTOCSA-N 0 1 282.727 2.251 20 5 CEBDMN CCN([C@H](C)Cc1ccc([N+](=O)[O-])cc1)C1COC1 ZINC001173232783 815633254 /nfs/dbraw/zinc/63/32/54/815633254.db2.gz HWRJGGXGEXKFPV-LLVKDONJSA-N 0 1 264.325 2.247 20 5 CEBDMN C[C@H]1CCN(Cc2ccc([N+](=O)[O-])c(F)c2)C[C@@H]1CO ZINC000700415267 809308843 /nfs/dbraw/zinc/30/88/43/809308843.db2.gz NBAAQBIRIPHYDW-CMPLNLGQSA-N 0 1 282.315 2.184 20 5 CEBDMN Cc1ccc(C[N@H+]([C@H](C)C(=O)[O-])C2CC2)cc1[N+](=O)[O-] ZINC000714022571 814882320 /nfs/dbraw/zinc/88/23/20/814882320.db2.gz UCGMOXIVPSJTOB-SNVBAGLBSA-N 0 1 278.308 2.341 20 5 CEBDMN C[C@H](Cc1ccc([N+](=O)[O-])cc1)Nc1cccnc1CN ZINC001173220571 815626081 /nfs/dbraw/zinc/62/60/81/815626081.db2.gz FXSOASXGNLYPJV-LLVKDONJSA-N 0 1 286.335 2.492 20 5 CEBDMN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1C[C@H](F)C[C@@H](CO)C1 ZINC001173224367 815627853 /nfs/dbraw/zinc/62/78/53/815627853.db2.gz FFCWOBMQFXWXQT-MRVWCRGKSA-N 0 1 296.342 2.178 20 5 CEBDMN C[C@@H](NCc1cc(=O)c(O)co1)c1ccc([N+](=O)[O-])cc1 ZINC001176030234 816329095 /nfs/dbraw/zinc/32/90/95/816329095.db2.gz ZUYYUAKMIBBNRU-SECBINFHSA-N 0 1 290.275 2.104 20 5 CEBDMN CCCOc1cc(F)ccc1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839704359 816576985 /nfs/dbraw/zinc/57/69/85/816576985.db2.gz WPABCGDYEMQEGC-MWLCHTKSSA-N 0 1 282.271 2.218 20 5 CEBDMN CCNC(=O)[C@H](C)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000036794625 361859483 /nfs/dbraw/zinc/85/94/83/361859483.db2.gz GYCHDOQNXMVWCJ-MNOVXSKESA-N 0 1 279.340 2.078 20 5 CEBDMN Cc1ccc([C@H](C)N[C@H]2CCCCNC2=O)cc1[N+](=O)[O-] ZINC000036976545 361877000 /nfs/dbraw/zinc/87/70/00/361877000.db2.gz LNDXWBNIQSWXLD-AAEUAGOBSA-N 0 1 291.351 2.223 20 5 CEBDMN O=[N+]([O-])c1cc(Br)ccc1NCc1nnc[nH]1 ZINC000037920133 361965045 /nfs/dbraw/zinc/96/50/45/361965045.db2.gz ZHMAKYRJTBWQKQ-UHFFFAOYSA-N 0 1 298.100 2.088 20 5 CEBDMN C[C@H]1CCc2[nH]n(-c3cccc([N+](=O)[O-])c3)c(=O)c21 ZINC000601932189 346929390 /nfs/dbraw/zinc/92/93/90/346929390.db2.gz OGIXPRGFVGMVFU-QPUJVOFHSA-N 0 1 259.265 2.344 20 5 CEBDMN CC[C@H](NCc1ccc([N+](=O)[O-])cc1F)[C@@H](O)C(F)F ZINC000449420749 282228806 /nfs/dbraw/zinc/22/88/06/282228806.db2.gz GLDNQNIVODONNC-WDEREUQCSA-N 0 1 292.257 2.228 20 5 CEBDMN CCN(CC)CC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000046438263 362181549 /nfs/dbraw/zinc/18/15/49/362181549.db2.gz IITQNFOIBPPCMJ-UHFFFAOYSA-N 0 1 265.313 2.184 20 5 CEBDMN Cc1cccc([N+](=O)[O-])c1NC(=O)CN(C)CC(C)C ZINC000049442545 343537391 /nfs/dbraw/zinc/53/73/91/343537391.db2.gz HMRACEHVXDACQL-UHFFFAOYSA-N 0 1 279.340 2.430 20 5 CEBDMN C[C@H](C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)N(C)C ZINC000602128117 346979288 /nfs/dbraw/zinc/97/92/88/346979288.db2.gz IOKNAWDXMBZANK-LLVKDONJSA-N 0 1 291.351 2.036 20 5 CEBDMN CN(Cc1ccc[nH]1)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000081985331 344069609 /nfs/dbraw/zinc/06/96/09/344069609.db2.gz BVMUCPDVZHBHMZ-UHFFFAOYSA-N 0 1 299.290 2.071 20 5 CEBDMN Cc1cccc(C2=CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)c1 ZINC000092518272 344193091 /nfs/dbraw/zinc/19/30/91/344193091.db2.gz LPKUZBXCAZOQMY-HUUCEWRRSA-N 0 1 286.331 2.276 20 5 CEBDMN CCS[C@H]1CCCCN(Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602470697 347045839 /nfs/dbraw/zinc/04/58/39/347045839.db2.gz CMABAHDVPHIXMK-LBPRGKRZSA-N 0 1 298.412 2.436 20 5 CEBDMN CC1(C)[C@H](O)C[C@@H]1NCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000128449054 344336753 /nfs/dbraw/zinc/33/67/53/344336753.db2.gz VEIDERGUZLOLQW-NWDGAFQWSA-N 0 1 284.743 2.497 20 5 CEBDMN CN(Cc1ccc(Cl)cc1[N+](=O)[O-])C(C)(C)CO ZINC000134844771 344378216 /nfs/dbraw/zinc/37/82/16/344378216.db2.gz IVLDTJJBGGWVDO-UHFFFAOYSA-N 0 1 272.732 2.451 20 5 CEBDMN O=c1[nH]nc(C2CCN(c3sccc3[N+](=O)[O-])CC2)o1 ZINC000589600120 345088221 /nfs/dbraw/zinc/08/82/21/345088221.db2.gz IWKVAPLMUTXBNL-UHFFFAOYSA-N 0 1 296.308 2.129 20 5 CEBDMN COCC1(NCc2ccc([N+](=O)[O-])cc2F)CCOCC1 ZINC000590068603 345112906 /nfs/dbraw/zinc/11/29/06/345112906.db2.gz FKXLIPFWBFEFRK-UHFFFAOYSA-N 0 1 298.314 2.019 20 5 CEBDMN O=[N+]([O-])c1cnc(N2CCC(c3ccn[nH]3)CC2)c(F)c1 ZINC000591144456 345224385 /nfs/dbraw/zinc/22/43/85/345224385.db2.gz QHVDKUSYCIDLMD-UHFFFAOYSA-N 0 1 291.286 2.236 20 5 CEBDMN CC1(C2(NC(=O)c3cc(O)cc([N+](=O)[O-])c3)CC2)CC1 ZINC000590884438 345194478 /nfs/dbraw/zinc/19/44/78/345194478.db2.gz SSSKOLRECSARAT-UHFFFAOYSA-N 0 1 276.292 2.363 20 5 CEBDMN O=[N+]([O-])c1cccc(CCc2nc([C@@H]3CCCN3)no2)c1 ZINC000592357164 345344924 /nfs/dbraw/zinc/34/49/24/345344924.db2.gz RRYQUWQTPOLMRT-LBPRGKRZSA-N 0 1 288.307 2.188 20 5 CEBDMN COc1ccc([N+](=O)[O-])cc1-c1nc([C@H]2CCCN2)no1 ZINC000592356963 345345106 /nfs/dbraw/zinc/34/51/06/345345106.db2.gz NKJHEQORJDNTQE-SNVBAGLBSA-N 0 1 290.279 2.078 20 5 CEBDMN CCN1CCN(c2c(OC)cccc2[N+](=O)[O-])C[C@H]1C ZINC000594568565 345649237 /nfs/dbraw/zinc/64/92/37/345649237.db2.gz LROKKNOQPCGAGF-LLVKDONJSA-N 0 1 279.340 2.134 20 5 CEBDMN CCC(C)(C)N1CCN(c2ncc([N+](=O)[O-])cc2F)CC1 ZINC000594591453 345653697 /nfs/dbraw/zinc/65/36/97/345653697.db2.gz LFGKXBXXEXZAQZ-UHFFFAOYSA-N 0 1 296.346 2.440 20 5 CEBDMN O=[N+]([O-])c1cccc(CN[C@@H]2CCCn3nccc32)c1 ZINC000595017465 345728145 /nfs/dbraw/zinc/72/81/45/345728145.db2.gz VKIQCCRQIOQISM-CYBMUJFWSA-N 0 1 272.308 2.416 20 5 CEBDMN CO[C@](C)([C@@H](C)NCc1onc(C)c1[N+](=O)[O-])C1CC1 ZINC000595542413 345807810 /nfs/dbraw/zinc/80/78/10/345807810.db2.gz FKZKZHNOBJBYDS-NOZJJQNGSA-N 0 1 283.328 2.184 20 5 CEBDMN CCO[C@@H]1COCC[C@H]1NCc1ccc(F)cc1[N+](=O)[O-] ZINC000595450641 345785970 /nfs/dbraw/zinc/78/59/70/345785970.db2.gz UQDMWRMIPVUSRN-TZMCWYRMSA-N 0 1 298.314 2.018 20 5 CEBDMN C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[C@@]2(O)C[C@H]2C1 ZINC000595759593 345869347 /nfs/dbraw/zinc/86/93/47/345869347.db2.gz XMHZQZPVZOSQSM-COPLHBTASA-N 0 1 262.309 2.113 20 5 CEBDMN COc1ccc(CN2CC[C@@H]3C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000595810468 345881691 /nfs/dbraw/zinc/88/16/91/345881691.db2.gz XSNBPYCEQNNPTF-VXGBXAGGSA-N 0 1 262.309 2.445 20 5 CEBDMN COc1ccc(CN2C[C@@H](C)[C@](C)(CO)C2)cc1[N+](=O)[O-] ZINC000595876394 345903654 /nfs/dbraw/zinc/90/36/54/345903654.db2.gz SVCAGTNYQYYQAM-ABAIWWIYSA-N 0 1 294.351 2.054 20 5 CEBDMN O=[N+]([O-])c1cccc(C[N@@H+]2CCCc3n[nH]cc3C2)c1 ZINC000596597867 346062390 /nfs/dbraw/zinc/06/23/90/346062390.db2.gz ZMETZKCJLPCJSA-UHFFFAOYSA-N 0 1 272.308 2.266 20 5 CEBDMN Cc1[nH]nc(C(=O)N2CCC(C3CCC3)CC2)c1[N+](=O)[O-] ZINC000597994841 346265821 /nfs/dbraw/zinc/26/58/21/346265821.db2.gz MFXUTFYPHVYIFT-UHFFFAOYSA-N 0 1 292.339 2.279 20 5 CEBDMN O=[N+]([O-])c1c(NCCCc2nc[nH]n2)ccc2ncccc21 ZINC000315286408 201931736 /nfs/dbraw/zinc/93/17/36/201931736.db2.gz PEAMIMLTEYPOAK-UHFFFAOYSA-N 0 1 298.306 2.306 20 5 CEBDMN CN(CCNCc1ccc([N+](=O)[O-])cc1F)CC(F)F ZINC000599022947 346447779 /nfs/dbraw/zinc/44/77/79/346447779.db2.gz PBFIKFNZQVUMED-UHFFFAOYSA-N 0 1 291.273 2.020 20 5 CEBDMN CC(C)c1ccc(CNCc2c[nH]nn2)cc1[N+](=O)[O-] ZINC000598987031 346442116 /nfs/dbraw/zinc/44/21/16/346442116.db2.gz JLAPEAYFIYUZOD-UHFFFAOYSA-N 0 1 275.312 2.126 20 5 CEBDMN COc1cc([N+](=O)[O-])ccc1CN(C)CC1(C)COC1 ZINC000599573750 346540686 /nfs/dbraw/zinc/54/06/86/346540686.db2.gz WVMSXKZYJKRXOX-UHFFFAOYSA-N 0 1 280.324 2.072 20 5 CEBDMN CCC(NC(=O)c1n[nH]cc1[N+](=O)[O-])(C1CC1)C1CC1 ZINC000600245389 346628513 /nfs/dbraw/zinc/62/85/13/346628513.db2.gz KBNJEVWHPBZFAY-UHFFFAOYSA-N 0 1 278.312 2.017 20 5 CEBDMN O=[N+]([O-])c1ccc(-c2cccc([C@H]3COCCN3)c2)cn1 ZINC000600789508 346690778 /nfs/dbraw/zinc/69/07/78/346690778.db2.gz TVBFLGZJDOBIBK-CQSZACIVSA-N 0 1 285.303 2.318 20 5 CEBDMN CC[C@H](C)N1CCN(c2ncc(F)cc2[N+](=O)[O-])CC1 ZINC000601172364 346777172 /nfs/dbraw/zinc/77/71/72/346777172.db2.gz ZGFMRZDQSZJCTF-JTQLQIEISA-N 0 1 282.319 2.049 20 5 CEBDMN Cc1cc([C@@H]2CCCN(c3ncccc3[N+](=O)[O-])C2)[nH]n1 ZINC000282271232 136657368 /nfs/dbraw/zinc/65/73/68/136657368.db2.gz OTNKRQYPEVLLGV-LLVKDONJSA-N 0 1 287.323 2.405 20 5 CEBDMN Cc1cnc([C@H](C)NCCn2c(C)ncc2[N+](=O)[O-])s1 ZINC000602811931 347210039 /nfs/dbraw/zinc/21/00/39/347210039.db2.gz ZXDXTQULKMBFSM-VIFPVBQESA-N 0 1 295.368 2.215 20 5 CEBDMN C[C@@H](NC(=O)[C@H]1CCCCN1C)c1ccccc1[N+](=O)[O-] ZINC000611408109 347774665 /nfs/dbraw/zinc/77/46/65/347774665.db2.gz QXYGZKIREHKFGO-BXUZGUMPSA-N 0 1 291.351 2.256 20 5 CEBDMN CCN1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000611082476 347737192 /nfs/dbraw/zinc/73/71/92/347737192.db2.gz SNFLCTFXPQWEMW-NSHDSACASA-N 0 1 292.339 2.153 20 5 CEBDMN CCN1C[C@H](C)N(c2ncc(C)cc2[N+](=O)[O-])C[C@@H]1C ZINC000611222049 347753494 /nfs/dbraw/zinc/75/34/94/347753494.db2.gz SDCODHVATUZIRE-RYUDHWBXSA-N 0 1 278.356 2.217 20 5 CEBDMN C[C@H]1CCN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000611265126 347760398 /nfs/dbraw/zinc/76/03/98/347760398.db2.gz WZBMPSJFKGYKQY-JTQLQIEISA-N 0 1 278.308 2.208 20 5 CEBDMN C[C@H](CNC(=O)c1cc(O)cc([N+](=O)[O-])c1)C1CC1 ZINC000611555403 347793759 /nfs/dbraw/zinc/79/37/59/347793759.db2.gz XRLLJHHMJIIXCW-MRVPVSSYSA-N 0 1 264.281 2.076 20 5 CEBDMN COCC1(N(C)Cc2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000611516827 347789138 /nfs/dbraw/zinc/78/91/38/347789138.db2.gz MKEXUMNXOCTDRM-UHFFFAOYSA-N 0 1 280.324 2.214 20 5 CEBDMN Cc1cc([N+](=O)[O-])ccc1CNC[C@](C)(O)C(F)(F)F ZINC000273411271 192141548 /nfs/dbraw/zinc/14/15/48/192141548.db2.gz OLUSABDKZWOBCU-NSHDSACASA-N 0 1 292.257 2.306 20 5 CEBDMN CCN1CCN(c2c3c(ccc2[N+](=O)[O-])NCC3)C[C@@H]1C ZINC000618157206 348887816 /nfs/dbraw/zinc/88/78/16/348887816.db2.gz RDCCKFMOIQPOMI-NSHDSACASA-N 0 1 290.367 2.093 20 5 CEBDMN CCN1CC[C@@H](N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1=O ZINC000619823352 349238108 /nfs/dbraw/zinc/23/81/08/349238108.db2.gz WDUKSQFVTLKCCC-DGCLKSJQSA-N 0 1 291.351 2.175 20 5 CEBDMN CC[C@H]1CN(C)CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000619567057 349200234 /nfs/dbraw/zinc/20/02/34/349200234.db2.gz MFCDQDCIJSMPRT-JTQLQIEISA-N 0 1 297.380 2.213 20 5 CEBDMN Cc1nc([C@H](C)N(C)CCc2ccccc2[N+](=O)[O-])n[nH]1 ZINC000411723519 233273930 /nfs/dbraw/zinc/27/39/30/233273930.db2.gz SNZMIXVPPZQWOS-JTQLQIEISA-N 0 1 289.339 2.257 20 5 CEBDMN COC(=O)CCN(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000153234765 188071455 /nfs/dbraw/zinc/07/14/55/188071455.db2.gz LWLZEVIFPASQQH-UHFFFAOYSA-N 0 1 278.308 2.122 20 5 CEBDMN CN(c1ncc(Cl)cc1[N+](=O)[O-])[C@H]1CCCN(C)C1 ZINC000153839924 188106972 /nfs/dbraw/zinc/10/69/72/188106972.db2.gz OQMKNTGUKNOSCO-JTQLQIEISA-N 0 1 284.747 2.174 20 5 CEBDMN CC[C@H]1CN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CCS1 ZINC000154384378 188138505 /nfs/dbraw/zinc/13/85/05/188138505.db2.gz YXALNRYCDFELQA-KBPBESRZSA-N 0 1 296.392 2.456 20 5 CEBDMN C[C@@H]1CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C[C@@H](C)N1 ZINC000132718431 366166900 /nfs/dbraw/zinc/16/69/00/366166900.db2.gz VJFPGEWDXHNPCP-RKDXNWHRSA-N 0 1 297.742 2.071 20 5 CEBDMN CC1(C)[C@H](O)C[C@H]1NCc1ccc([N+](=O)[O-])cc1Cl ZINC000133539764 366234420 /nfs/dbraw/zinc/23/44/20/366234420.db2.gz IZWWGEBWNIBCSO-VXGBXAGGSA-N 0 1 284.743 2.497 20 5 CEBDMN Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000570094054 299237558 /nfs/dbraw/zinc/23/75/58/299237558.db2.gz YTVSUZMYDIAAPY-QMTHXVAHSA-N 0 1 292.335 2.446 20 5 CEBDMN CN(Cc1cc([N+](=O)[O-])cc2c1OCOC2)C1CCC1 ZINC000075842436 363491820 /nfs/dbraw/zinc/49/18/20/363491820.db2.gz RUGIUEUFOXPBHK-UHFFFAOYSA-N 0 1 278.308 2.446 20 5 CEBDMN O=[N+]([O-])c1cccc(F)c1CN1CC[C@@H](CCCO)C1 ZINC000452123111 283195621 /nfs/dbraw/zinc/19/56/21/283195621.db2.gz IBDCXLLMCFKGAX-LLVKDONJSA-N 0 1 282.315 2.328 20 5 CEBDMN C[C@H]1CC[N@@H+](Cc2ccccc2[N+](=O)[O-])C[C@H]1C(=O)[O-] ZINC000570514526 299261397 /nfs/dbraw/zinc/26/13/97/299261397.db2.gz OZSYFKOPEYKYCG-CMPLNLGQSA-N 0 1 278.308 2.137 20 5 CEBDMN Cc1c(CN[C@H](C)c2ccc([N+](=O)[O-])cc2)cnn1C ZINC000135104248 366396503 /nfs/dbraw/zinc/39/65/03/366396503.db2.gz PYWJOZWLBXCFRC-SNVBAGLBSA-N 0 1 274.324 2.488 20 5 CEBDMN CCOc1cccc(NCc2n[nH]c(CC)n2)c1[N+](=O)[O-] ZINC000294844100 199209824 /nfs/dbraw/zinc/20/98/24/199209824.db2.gz BLJQMEYZPDXFOF-UHFFFAOYSA-N 0 1 291.311 2.286 20 5 CEBDMN O=[N+]([O-])c1cc(CN[C@@H]2CCN(CC(F)F)C2)cs1 ZINC000418135394 237314733 /nfs/dbraw/zinc/31/47/33/237314733.db2.gz PBFHGQQZULKOCV-SECBINFHSA-N 0 1 291.323 2.085 20 5 CEBDMN O=[N+]([O-])c1ccc(O)cc1CN[C@H](CO)c1ccccc1 ZINC000339080495 366643602 /nfs/dbraw/zinc/64/36/02/366643602.db2.gz DJYDHYPNYRRTJA-CQSZACIVSA-N 0 1 288.303 2.124 20 5 CEBDMN CCN(CC)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000298730481 200518654 /nfs/dbraw/zinc/51/86/54/200518654.db2.gz LEBWDXLHJLRDQY-JTQLQIEISA-N 0 1 265.313 2.264 20 5 CEBDMN CC(C)N1CC[C@H](N[C@@H](C)c2ccc([N+](=O)[O-])cc2)C1=O ZINC000178656511 189135211 /nfs/dbraw/zinc/13/52/11/189135211.db2.gz ZGMLIVUYNPDDRV-FZMZJTMJSA-N 0 1 291.351 2.255 20 5 CEBDMN O=[N+]([O-])c1cc(F)c(NCCN2CCCC2)c(F)c1 ZINC000178869333 189151439 /nfs/dbraw/zinc/15/14/39/189151439.db2.gz JEEKGXMUTKQWDC-UHFFFAOYSA-N 0 1 271.267 2.381 20 5 CEBDMN CO[C@@H](C)[C@H](C)NCc1ccc([N+](=O)[O-])cc1F ZINC000342327521 216311581 /nfs/dbraw/zinc/31/15/81/216311581.db2.gz AXQHCMUUAIKLGO-IUCAKERBSA-N 0 1 256.277 2.247 20 5 CEBDMN O=[N+]([O-])c1ccc(CN[C@@H]2CCCOC2)c(F)c1 ZINC000342327019 216311936 /nfs/dbraw/zinc/31/19/36/216311936.db2.gz URBDBYQQFHWPBX-SNVBAGLBSA-N 0 1 254.261 2.003 20 5 CEBDMN O=C(NCCc1ccsc1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000342434174 216349900 /nfs/dbraw/zinc/34/99/00/216349900.db2.gz TVGHQFHWSSFLAH-UHFFFAOYSA-N 0 1 292.316 2.334 20 5 CEBDMN CC[C@@H]1CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000120785310 365475008 /nfs/dbraw/zinc/47/50/08/365475008.db2.gz WYRNQZALOJKZIB-SECBINFHSA-N 0 1 288.307 2.343 20 5 CEBDMN O=[N+]([O-])c1ccc(CNC2(CO)CCC2)c(Cl)c1 ZINC000168135805 367346939 /nfs/dbraw/zinc/34/69/39/367346939.db2.gz HSTILKSILNIVFX-UHFFFAOYSA-N 0 1 270.716 2.253 20 5 CEBDMN C[C@@H](C[S@@](C)=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000168173322 367348284 /nfs/dbraw/zinc/34/82/84/367348284.db2.gz HJYNPCPDKDMJKV-ASCAZGACSA-N 0 1 290.772 2.105 20 5 CEBDMN CC[N@@H+]1CCCC[C@H]1C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000166089232 367318252 /nfs/dbraw/zinc/31/82/52/367318252.db2.gz JVTDLSPJIVMLDL-NSHDSACASA-N 0 1 293.323 2.113 20 5 CEBDMN CC[N@H+]1CCCC[C@H]1C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000166089232 367318253 /nfs/dbraw/zinc/31/82/53/367318253.db2.gz JVTDLSPJIVMLDL-NSHDSACASA-N 0 1 293.323 2.113 20 5 CEBDMN CCCCN(CC)C(=O)c1n[nH]c(CC)c1[N+](=O)[O-] ZINC000171367684 367528781 /nfs/dbraw/zinc/52/87/81/367528781.db2.gz KRUSJJGEPKRYFI-UHFFFAOYSA-N 0 1 268.317 2.143 20 5 CEBDMN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@H](OCCO)C1 ZINC000172300753 367712035 /nfs/dbraw/zinc/71/20/35/367712035.db2.gz JPXRDQMEHYVTRX-WFASDCNBSA-N 0 1 294.351 2.129 20 5 CEBDMN CC(C)(C)[C@@H](O)CN1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000343756907 367991029 /nfs/dbraw/zinc/99/10/29/367991029.db2.gz LXAJDPXWIXPHPS-AWEZNQCLSA-N 0 1 278.352 2.360 20 5 CEBDMN Cc1c([C@@H](C)NCC(=O)NCC2CC2)cccc1[N+](=O)[O-] ZINC000181292986 368441240 /nfs/dbraw/zinc/44/12/40/368441240.db2.gz ROZXQYXHHGGBHT-LLVKDONJSA-N 0 1 291.351 2.080 20 5 CEBDMN CCc1[nH]nc(C(=O)N2CCC[C@H]3CCC[C@H]32)c1[N+](=O)[O-] ZINC000185740388 368852271 /nfs/dbraw/zinc/85/22/71/368852271.db2.gz UXIUWYFJYZDWOI-MWLCHTKSSA-N 0 1 292.339 2.285 20 5 CEBDMN C[C@H]1[C@H](C(F)(F)F)CCN1CCn1cc([N+](=O)[O-])cn1 ZINC000348223340 368955731 /nfs/dbraw/zinc/95/57/31/368955731.db2.gz FFQMSYAHZNHYBT-WCBMZHEXSA-N 0 1 292.261 2.064 20 5 CEBDMN C[C@@H]1[C@H](C(F)(F)F)CCN1CCn1cc([N+](=O)[O-])cn1 ZINC000348223334 368955803 /nfs/dbraw/zinc/95/58/03/368955803.db2.gz FFQMSYAHZNHYBT-PSASIEDQSA-N 0 1 292.261 2.064 20 5 CEBDMN C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[C@@H](C)[C@@H](O)C1 ZINC000330658911 203087867 /nfs/dbraw/zinc/08/78/67/203087867.db2.gz PIPRZNZFXLSSLT-SUNKGSAMSA-N 0 1 264.325 2.359 20 5 CEBDMN CCc1[nH]nc(C(=O)N(C)[C@H](C)c2ccco2)c1[N+](=O)[O-] ZINC000188157523 369308695 /nfs/dbraw/zinc/30/86/95/369308695.db2.gz NDPVBRHSGCRQRE-MRVPVSSYSA-N 0 1 292.295 2.307 20 5 CEBDMN COCCO[C@H]1CCN(Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000188820313 369414314 /nfs/dbraw/zinc/41/43/14/369414314.db2.gz YWOZGAGSOBZSLF-AWEZNQCLSA-N 0 1 294.351 2.141 20 5 CEBDMN CC[C@]1(CO)CCC[N@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000189667053 369555209 /nfs/dbraw/zinc/55/52/09/369555209.db2.gz UNQZPGRLTOGNGR-GFCCVEGCSA-N 0 1 270.354 2.393 20 5 CEBDMN CC[C@]1(CO)CCCN1Cc1csc([N+](=O)[O-])c1 ZINC000189667053 369555210 /nfs/dbraw/zinc/55/52/10/369555210.db2.gz UNQZPGRLTOGNGR-GFCCVEGCSA-N 0 1 270.354 2.393 20 5 CEBDMN O=C([C@H]1CC1[N+](=O)[O-])N1CCC(C2CCCC2)CC1 ZINC000371117450 296148502 /nfs/dbraw/zinc/14/85/02/296148502.db2.gz LZOBQLPNYXQPAU-QWHCGFSZSA-N 0 1 266.341 2.080 20 5 CEBDMN CC[C@H](C)c1nc([C@@H](C)Nc2ncc([N+](=O)[O-])cn2)n[nH]1 ZINC000276761817 193453418 /nfs/dbraw/zinc/45/34/18/193453418.db2.gz AHLQBJQHMOVQHE-JGVFFNPUSA-N 0 1 291.315 2.190 20 5 CEBDMN O=C([C@H]1CC1[N+](=O)[O-])N1CCC(=Cc2ccccc2)CC1 ZINC000361030385 371609633 /nfs/dbraw/zinc/60/96/33/371609633.db2.gz CBDBLAWJKJXYQY-LSDHHAIUSA-N 0 1 286.331 2.358 20 5 CEBDMN CCn1c(C)nc([N+](=O)[O-])c1N1C[C@@H](C)N(CC)C[C@H]1C ZINC000361040727 371614121 /nfs/dbraw/zinc/61/41/21/371614121.db2.gz ARCYHHKFAJBHFH-GHMZBOCLSA-N 0 1 295.387 2.039 20 5 CEBDMN CCO[C@H]1COCC[C@H]1NCc1c(F)cccc1[N+](=O)[O-] ZINC000362021454 372175171 /nfs/dbraw/zinc/17/51/71/372175171.db2.gz ZBNQMKOLADELEF-OCCSQVGLSA-N 0 1 298.314 2.018 20 5 CEBDMN C[C@@H]1[C@H](C)SCCN1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269621881 372509110 /nfs/dbraw/zinc/50/91/10/372509110.db2.gz BDOUUKOJQLARCM-UHIISALHSA-N 0 1 296.392 2.454 20 5 CEBDMN CN(Cc1csc([N+](=O)[O-])c1)C[C@@H]1CCC[C@H]1O ZINC000270063031 372652930 /nfs/dbraw/zinc/65/29/30/372652930.db2.gz HFVKDBPJXZBVIM-WDEREUQCSA-N 0 1 270.354 2.249 20 5 CEBDMN O=C(N[C@@H]1CCC[C@H]1c1ccccc1)[C@H]1CC1[N+](=O)[O-] ZINC000365543109 372886634 /nfs/dbraw/zinc/88/66/34/372886634.db2.gz CNKDVVYZIOUOPK-FQUUOJAGSA-N 0 1 274.320 2.104 20 5 CEBDMN Cc1cc(C2CCN(c3ccc([N+](=O)[O-])cn3)CC2)[nH]n1 ZINC000273525448 373762768 /nfs/dbraw/zinc/76/27/68/373762768.db2.gz RAOUHEHUJPKIFI-UHFFFAOYSA-N 0 1 287.323 2.405 20 5 CEBDMN O=C([O-])[C@H]1CCCC[N@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000035308493 304179922 /nfs/dbraw/zinc/17/99/22/304179922.db2.gz PKTZRVZGNUBHTJ-GFCCVEGCSA-N 0 1 282.271 2.173 20 5 CEBDMN O=C(N[C@@H]1CC[C@H](c2cccc(F)c2)C1)[C@H]1CC1[N+](=O)[O-] ZINC000373707435 374408441 /nfs/dbraw/zinc/40/84/41/374408441.db2.gz RQSQOGCMTOPSIZ-GHYVTOPFSA-N 0 1 292.310 2.243 20 5 CEBDMN C[C@@H](c1cccc([N+](=O)[O-])c1)N1C[C@H](O)C(C)(C)C1 ZINC000279710017 374961944 /nfs/dbraw/zinc/96/19/44/374961944.db2.gz HWIGJVFNZJMOFB-GWCFXTLKSA-N 0 1 264.325 2.359 20 5 CEBDMN Cc1ccc(NC(=O)[C@H]2C[C@H]2[N+](=O)[O-])cc1-c1ncco1 ZINC000378164949 375033742 /nfs/dbraw/zinc/03/37/42/375033742.db2.gz BZYJAWHAZWSXAS-NWDGAFQWSA-N 0 1 287.275 2.254 20 5 CEBDMN C[C@H]1C[C@H](C)CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000408377301 375465538 /nfs/dbraw/zinc/46/55/38/375465538.db2.gz ZVXYCBJWHCLDDD-UWVGGRQHSA-N 0 1 278.308 2.419 20 5 CEBDMN Cc1[nH]nc(C(=O)N2CCCCC[C@H]2C)c1[N+](=O)[O-] ZINC000408166059 375421537 /nfs/dbraw/zinc/42/15/37/375421537.db2.gz WDWYYRUCXIGUGP-MRVPVSSYSA-N 0 1 266.301 2.031 20 5 CEBDMN Cc1[nH]nc(C(=O)N2C[C@H](C)[C@@H]3CCCC[C@@H]32)c1[N+](=O)[O-] ZINC000408176594 375424458 /nfs/dbraw/zinc/42/44/58/375424458.db2.gz HMWQORURWLXADN-LSJOCFKGSA-N 0 1 292.339 2.277 20 5 CEBDMN Cn1cnc([N+](=O)[O-])c1CN1CCC[C@H]2CCC[C@H]21 ZINC000408308456 375449893 /nfs/dbraw/zinc/44/98/93/375449893.db2.gz ITJSYKGXSREQDW-GHMZBOCLSA-N 0 1 264.329 2.093 20 5 CEBDMN CCOC(=O)CC[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282452256 375487913 /nfs/dbraw/zinc/48/79/13/375487913.db2.gz LUZTZBHMBRHDFC-UHFFFAOYSA-N 0 1 280.324 2.022 20 5 CEBDMN CC[C@@H](CN1CCN(c2ccccc2[N+](=O)[O-])CC1)OC ZINC000419178815 376389769 /nfs/dbraw/zinc/38/97/69/376389769.db2.gz CEJRQGREVDELMO-ZDUSSCGKSA-N 0 1 293.367 2.142 20 5 CEBDMN O=[N+]([O-])c1ccc(CN[C@H]2CCO[C@@H]2C2CC2)c(F)c1 ZINC000313685800 376749480 /nfs/dbraw/zinc/74/94/80/376749480.db2.gz QBNPQRHBDUJQNJ-UONOGXRCSA-N 0 1 280.299 2.391 20 5 CEBDMN CC(C)(C)[N@H+]1CCCN(c2ncc([N+](=O)[O-])s2)CC1 ZINC000562532685 376923801 /nfs/dbraw/zinc/92/38/01/376923801.db2.gz GMVNMRXWUIJUDD-UHFFFAOYSA-N 0 1 284.385 2.362 20 5 CEBDMN C[C@H]1CSCCN1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000330413015 377120491 /nfs/dbraw/zinc/12/04/91/377120491.db2.gz BMQIZPMUCGWWJQ-VIFPVBQESA-N 0 1 268.338 2.238 20 5 CEBDMN CC[C@@H]1CO[C@H](C)CN1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000330417254 377123462 /nfs/dbraw/zinc/12/34/62/377123462.db2.gz DPUOXBGNJHPXTA-ZYHUDNBSSA-N 0 1 280.324 2.300 20 5 CEBDMN CO[C@@H]1CC[N@@H+](Cc2cc([O-])ccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000330436723 377133273 /nfs/dbraw/zinc/13/32/73/377133273.db2.gz BLBXQUZIWWBDRB-GXFFZTMASA-N 0 1 280.324 2.300 20 5 CEBDMN C[C@H](O)C[C@@H]1CCCC[N@H+]1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000330458861 377144129 /nfs/dbraw/zinc/14/41/29/377144129.db2.gz PPONLJADWWJCJV-AAEUAGOBSA-N 0 1 294.351 2.426 20 5 CEBDMN CC[N@@H+]1C[C@@H](C)N(Cc2cc([O-])ccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000331352763 377396065 /nfs/dbraw/zinc/39/60/65/377396065.db2.gz ORYVHICERDYVPO-TXEJJXNPSA-N 0 1 293.367 2.215 20 5 CEBDMN Cn1cnc([N+](=O)[O-])c1CN1CCC[C@@H]1C(C)(C)C ZINC000332613629 377645906 /nfs/dbraw/zinc/64/59/06/377645906.db2.gz DQSXSJAGWJEYBO-LLVKDONJSA-N 0 1 266.345 2.339 20 5 CEBDMN Cc1[nH]nc(C(=O)N2CC(C)(C)[C@@H]2C(C)C)c1[N+](=O)[O-] ZINC000293819105 377772284 /nfs/dbraw/zinc/77/22/84/377772284.db2.gz HKVHNIAPFZMYFE-NSHDSACASA-N 0 1 280.328 2.133 20 5 CEBDMN CCN(CC)C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC000294169393 377925795 /nfs/dbraw/zinc/92/57/95/377925795.db2.gz CJDIXSYXFAQGLT-UHFFFAOYSA-N 0 1 288.307 2.467 20 5 CEBDMN CC(C)=CCC[C@H](C)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000295531900 378198930 /nfs/dbraw/zinc/19/89/30/378198930.db2.gz FNFLITKVCGZBHO-VIFPVBQESA-N 0 1 266.301 2.183 20 5 CEBDMN CS[C@@H]1CCN(C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])C1 ZINC000295557297 378210430 /nfs/dbraw/zinc/21/04/30/378210430.db2.gz NFDKVJAYOJSVKE-MRVPVSSYSA-N 0 1 298.368 2.019 20 5 CEBDMN CCCc1[nH]nc(C(=O)N2CCC[C@](C)(F)C2)c1[N+](=O)[O-] ZINC000295454476 378165881 /nfs/dbraw/zinc/16/58/81/378165881.db2.gz GQXDHIYXUNNUIZ-ZDUSSCGKSA-N 0 1 298.318 2.235 20 5 CEBDMN CC[C@@H](C)NC(=O)CN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000296536827 378566952 /nfs/dbraw/zinc/56/69/52/378566952.db2.gz DRWBSENCTPNMNK-MNOVXSKESA-N 0 1 279.340 2.160 20 5 CEBDMN COC[C@]1(C)CCN(Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000296650304 378604748 /nfs/dbraw/zinc/60/47/48/378604748.db2.gz IXMSCTZTAPBTKP-OAHLLOKOSA-N 0 1 294.351 2.462 20 5 CEBDMN C[C@@](O)(CNCc1csc([N+](=O)[O-])c1)c1ccco1 ZINC000266184741 190238325 /nfs/dbraw/zinc/23/83/25/190238325.db2.gz WNNJRXGSADYUBN-GFCCVEGCSA-N 0 1 282.321 2.247 20 5 CEBDMN C[C@]1(F)CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000347313311 218187677 /nfs/dbraw/zinc/18/76/77/218187677.db2.gz IOBUCYDCRPSALS-ZDUSSCGKSA-N 0 1 292.270 2.045 20 5 CEBDMN Cc1[nH]nc(C(=O)N2CCC[C@@H]2C2CCCC2)c1[N+](=O)[O-] ZINC000299571243 379049594 /nfs/dbraw/zinc/04/95/94/379049594.db2.gz VXCKBTWDNJASAZ-LLVKDONJSA-N 0 1 292.339 2.421 20 5 CEBDMN C[C@@H]1CCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000299682543 379105025 /nfs/dbraw/zinc/10/50/25/379105025.db2.gz WCXCJOACJSKGRY-SNVBAGLBSA-N 0 1 288.307 2.487 20 5 CEBDMN CC[C@@H](C)N(CCO)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000347469504 218247792 /nfs/dbraw/zinc/24/77/92/218247792.db2.gz GRKUOILQOFEBNX-SNVBAGLBSA-N 0 1 292.339 2.064 20 5 CEBDMN CC(C)[C@H]1CN(C)CCN1c1ccccc1[N+](=O)[O-] ZINC000301364731 379267729 /nfs/dbraw/zinc/26/77/29/379267729.db2.gz NJTSGBQINCOCKD-CQSZACIVSA-N 0 1 263.341 2.371 20 5 CEBDMN C[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])[C@H]1CCC[C@H](C)C1 ZINC000457018077 379628355 /nfs/dbraw/zinc/62/83/55/379628355.db2.gz WJXXKBUOPWTMOA-GUBZILKMSA-N 0 1 280.328 2.263 20 5 CEBDMN CCc1[nH]nc(C(=O)N(C)C2CC(C)(C)C2)c1[N+](=O)[O-] ZINC000458190001 380036230 /nfs/dbraw/zinc/03/62/30/380036230.db2.gz QTCCJPDQSBSZQO-UHFFFAOYSA-N 0 1 280.328 2.141 20 5 CEBDMN CCN(C)C(=O)CN[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000548486749 380526350 /nfs/dbraw/zinc/52/63/50/380526350.db2.gz CDPHXCNDDKTJBO-LLVKDONJSA-N 0 1 279.340 2.032 20 5 CEBDMN O=[N+]([O-])c1c(N2CCc3cnccc32)nc2sccn21 ZINC000175005289 285078649 /nfs/dbraw/zinc/07/86/49/285078649.db2.gz SKMDYBXSOPOYCU-UHFFFAOYSA-N 0 1 287.304 2.393 20 5 CEBDMN CN(C)[C@H](CNc1ncc([N+](=O)[O-])s1)c1ccco1 ZINC000190301958 130086895 /nfs/dbraw/zinc/08/68/95/130086895.db2.gz ZZFPZQGVLYRBCT-MRVPVSSYSA-N 0 1 282.325 2.359 20 5 CEBDMN O=C(CC1CC1)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000264068347 131389723 /nfs/dbraw/zinc/38/97/23/131389723.db2.gz XITKVBHVDNLNSY-UHFFFAOYSA-N 0 1 287.279 2.119 20 5 CEBDMN C[C@H]1CN(C2CC2)C[C@H]1Nc1ncc([N+](=O)[O-])cc1F ZINC000413187517 394499922 /nfs/dbraw/zinc/49/99/22/394499922.db2.gz FGKHNFHJUZXXPE-QPUJVOFHSA-N 0 1 280.303 2.024 20 5 CEBDMN O=C([O-])[C@@]12CCC[C@H]1C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C2 ZINC000262077807 394612281 /nfs/dbraw/zinc/61/22/81/394612281.db2.gz DTCCIGJKOCNNKF-SWLSCSKDSA-N 0 1 290.319 2.282 20 5 CEBDMN O=C(N[C@H]1CCCc2cn[nH]c21)c1csc([N+](=O)[O-])c1 ZINC000269040554 394708965 /nfs/dbraw/zinc/70/89/65/394708965.db2.gz YHUFUYOIXSNLCW-VIFPVBQESA-N 0 1 292.320 2.187 20 5 CEBDMN CN1CC[C@@H]2CCN(c3ncc([N+](=O)[O-])cc3Cl)[C@@H]2C1 ZINC000272232307 394769424 /nfs/dbraw/zinc/76/94/24/394769424.db2.gz UXCUSNBRWBDQEH-BXKDBHETSA-N 0 1 296.758 2.174 20 5 CEBDMN C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)CCN1CCCC1=O ZINC000120931693 394787982 /nfs/dbraw/zinc/78/79/82/394787982.db2.gz NLMYAOIZWBZSST-LBPRGKRZSA-N 0 1 291.351 2.210 20 5 CEBDMN Cc1cc(N2CC[C@@H](O)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000122239921 394810459 /nfs/dbraw/zinc/81/04/59/394810459.db2.gz FKVUNAONTYXOJR-LLVKDONJSA-N 0 1 273.292 2.022 20 5 CEBDMN O=[N+]([O-])c1ccccc1CN(CCO)[C@@H]1CCCSC1 ZINC000439015317 395245334 /nfs/dbraw/zinc/24/53/34/395245334.db2.gz PGSZXBWTOKDBNO-CYBMUJFWSA-N 0 1 296.392 2.285 20 5 CEBDMN CCN1C[C@@H](N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1=O ZINC000391613601 395202116 /nfs/dbraw/zinc/20/21/16/395202116.db2.gz PEMYHMDZZFDDPY-AAEUAGOBSA-N 0 1 291.351 2.175 20 5 CEBDMN O=C(N[C@@H]1CC[C@@H](F)C1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000360356696 155280309 /nfs/dbraw/zinc/28/03/09/155280309.db2.gz WYWPHAGWHJXVPB-HTQZYQBOSA-N 0 1 292.270 2.092 20 5 CEBDMN O=[N+]([O-])c1cc(CN[C@H]2CCO[C@H]2C2CC2)cs1 ZINC000230315211 153389963 /nfs/dbraw/zinc/38/99/63/153389963.db2.gz DAMMEGNQQKNVSK-JQWIXIFHSA-N 0 1 268.338 2.313 20 5 CEBDMN COc1cc(CN(C)[C@H]2CCC[C@@H]2O)c([N+](=O)[O-])cc1F ZINC000352669027 154323544 /nfs/dbraw/zinc/32/35/44/154323544.db2.gz WSVGVSAENISKCP-AAEUAGOBSA-N 0 1 298.314 2.088 20 5 CEBDMN CN(Cc1nc2cc([N+](=O)[O-])ccc2o1)[C@@H]1CCC[C@@H]1O ZINC000352663876 154327839 /nfs/dbraw/zinc/32/78/39/154327839.db2.gz AFWZWJKPHHVVKI-NEPJUHHUSA-N 0 1 291.307 2.081 20 5 CEBDMN COc1cc([N+](=O)[O-])ccc1CN1CCC[C@]12CCOC2 ZINC000367451384 156189013 /nfs/dbraw/zinc/18/90/13/156189013.db2.gz QUWZMANEIDGJQF-OAHLLOKOSA-N 0 1 292.335 2.358 20 5 CEBDMN Cc1cccc([C@]2(F)CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)c1 ZINC000367715468 156230546 /nfs/dbraw/zinc/23/05/46/156230546.db2.gz JZFCHOBPLHNGNR-IPYPFGDCSA-N 0 1 292.310 2.057 20 5 CEBDMN CC[C@@H](C)N(C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000170915860 162374422 /nfs/dbraw/zinc/37/44/22/162374422.db2.gz VPMAWWHYJLTWLR-LLVKDONJSA-N 0 1 291.351 2.214 20 5 CEBDMN C[C@@H](c1ccccc1[N+](=O)[O-])N1C[C@@H](O)C(C)(C)C1 ZINC000279721851 287152521 /nfs/dbraw/zinc/15/25/21/287152521.db2.gz IYDGQWIBMYISIY-GXFFZTMASA-N 0 1 264.325 2.359 20 5 CEBDMN COC[C@H](C)N(C)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000076711053 177067702 /nfs/dbraw/zinc/06/77/02/177067702.db2.gz UIGCUCNMVDBYPZ-JTQLQIEISA-N 0 1 268.313 2.070 20 5 CEBDMN C[C@H]1NC(=O)CC[C@H]1NCc1c(Cl)cccc1[N+](=O)[O-] ZINC000392896221 270341661 /nfs/dbraw/zinc/34/16/61/270341661.db2.gz CXVPTPYPOJVFJO-LDYMZIIASA-N 0 1 297.742 2.005 20 5 CEBDMN C[C@@H]1CC[C@@H](C(=O)[O-])C[N@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000397092593 270351226 /nfs/dbraw/zinc/35/12/26/270351226.db2.gz XANMHVYZJZJYOU-PSASIEDQSA-N 0 1 284.337 2.341 20 5 CEBDMN C[C@H]1CC[C@@H](CNCc2ccc([N+](=O)[O-])cc2F)O1 ZINC000398064219 270355695 /nfs/dbraw/zinc/35/56/95/270355695.db2.gz HENHMKTWPFCGSA-CABZTGNLSA-N 0 1 268.288 2.391 20 5 CEBDMN Cc1cc(N[C@H]2C[C@@](C)(O)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000418985842 270417775 /nfs/dbraw/zinc/41/77/75/270417775.db2.gz GGVCGFGOOAPKQV-AVCCJPFPSA-N 0 1 287.319 2.199 20 5 CEBDMN COc1cc([N+](=O)[O-])ccc1CN1CCC(OC)CC1 ZINC000430211663 271363115 /nfs/dbraw/zinc/36/31/15/271363115.db2.gz JQVMTVJZYPTXGE-UHFFFAOYSA-N 0 1 280.324 2.214 20 5 CEBDMN COc1cc([N+](=O)[O-])ccc1CN(C)CC1(O)CCCC1 ZINC000430212055 271363560 /nfs/dbraw/zinc/36/35/60/271363560.db2.gz ZBYUALFIBXXPQS-UHFFFAOYSA-N 0 1 294.351 2.340 20 5 CEBDMN COCC1CCN(Cc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000430245156 271367331 /nfs/dbraw/zinc/36/73/31/271367331.db2.gz ZOXNPFQWSOGFBY-UHFFFAOYSA-N 0 1 294.351 2.462 20 5 CEBDMN CCN1CCN(c2nccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000295152741 276204154 /nfs/dbraw/zinc/20/41/54/276204154.db2.gz CHDDTDYOMGULPP-UHFFFAOYSA-N 0 1 286.335 2.285 20 5 CEBDMN CCN(CC)C(=O)CN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000134892460 280031947 /nfs/dbraw/zinc/03/19/47/280031947.db2.gz HGMMBPABXYHFEU-NSHDSACASA-N 0 1 279.340 2.114 20 5 CEBDMN C[C@H]1[C@H](C)N(c2ccc(F)cc2[N+](=O)[O-])CCN1C ZINC000356793112 280112135 /nfs/dbraw/zinc/11/21/35/280112135.db2.gz KBLCBLQAVPQFMF-UWVGGRQHSA-N 0 1 267.304 2.263 20 5 CEBDMN CCOC(=O)[C@@H](C)[C@@H](C)NCc1csc([N+](=O)[O-])c1 ZINC000185715703 280125846 /nfs/dbraw/zinc/12/58/46/280125846.db2.gz BCQHYMJKAGBLRM-DTWKUNHWSA-N 0 1 286.353 2.334 20 5 CEBDMN COc1cc(CN2CCC[C@H]([C@H](C)O)C2)ccc1[N+](=O)[O-] ZINC000305864285 289275145 /nfs/dbraw/zinc/27/51/45/289275145.db2.gz ZAZXGCLSIJHALQ-AAEUAGOBSA-N 0 1 294.351 2.196 20 5 CEBDMN CC(C)[C@@H]1C[C@H]1CNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000456300567 289583222 /nfs/dbraw/zinc/58/32/22/289583222.db2.gz PLDBBYJLOFWUSC-GWCFXTLKSA-N 0 1 278.308 2.322 20 5 CEBDMN Cc1ccc([N+](=O)[O-])c(N2CCN(C)[C@H](C(C)C)C2)n1 ZINC000487063960 290330085 /nfs/dbraw/zinc/33/00/85/290330085.db2.gz BCSBGSKXMDHBLP-ZDUSSCGKSA-N 0 1 278.356 2.075 20 5 CEBDMN CC(C)(C)N1CC[C@@H](NCc2ccc([N+](=O)[O-])cc2)C1=O ZINC000515165254 297565278 /nfs/dbraw/zinc/56/52/78/297565278.db2.gz RPYGZVXAYOGFLQ-CYBMUJFWSA-N 0 1 291.351 2.084 20 5 CEBDMN C[C@H]1CN(C)CCN1c1ccc2ncccc2c1[N+](=O)[O-] ZINC000535008684 298179399 /nfs/dbraw/zinc/17/93/99/298179399.db2.gz AYSKABCSBJWESC-NSHDSACASA-N 0 1 286.335 2.283 20 5 CEBDMN CC(C)(NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000535030201 298180811 /nfs/dbraw/zinc/18/08/11/298180811.db2.gz SKGGUNUZRTVUHN-UHFFFAOYSA-N 0 1 288.307 2.390 20 5 CEBDMN CCO[C@H]1C[C@H]1NCc1ccc([N+](=O)[O-])cc1C ZINC000516905943 313098122 /nfs/dbraw/zinc/09/81/22/313098122.db2.gz UAUNJCAWHSOTLK-OLZOCXBDSA-N 0 1 250.298 2.170 20 5 CEBDMN C[C@@H]1C[C@H]1c1noc(-c2cc(O)cc([N+](=O)[O-])c2)n1 ZINC000571735157 314103632 /nfs/dbraw/zinc/10/36/32/314103632.db2.gz NMSRFBJCZJCHCO-LHLIQPBNSA-N 0 1 261.237 2.474 20 5 CEBDMN C[N@@H+](CC(=O)[O-])Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000577184243 314350042 /nfs/dbraw/zinc/35/00/42/314350042.db2.gz MMJRUKDWZUVDEO-UHFFFAOYSA-N 0 1 292.213 2.130 20 5 CEBDMN C[C@H](Nc1nc2c(cc1[N+](=O)[O-])CCCC2)c1nnc[nH]1 ZINC000581068546 322366198 /nfs/dbraw/zinc/36/61/98/322366198.db2.gz CPNWBEQXJWXPSJ-QMMMGPOBSA-N 0 1 288.311 2.160 20 5 CEBDMN C[C@H](NCC(=O)NC(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000148936955 533817231 /nfs/dbraw/zinc/81/72/31/533817231.db2.gz UCIUZURJCZJGII-JTQLQIEISA-N 0 1 279.340 2.160 20 5 CEBDMN Cc1c(CN(C)[C@H]2CCOC2)cccc1[N+](=O)[O-] ZINC000106883393 533843688 /nfs/dbraw/zinc/84/36/88/533843688.db2.gz CGWFJWMYUTVJEQ-LBPRGKRZSA-N 0 1 250.298 2.124 20 5 CEBDMN C[C@@H]1[C@@H](C)N(C(=O)Nc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000356087890 534234932 /nfs/dbraw/zinc/23/49/32/534234932.db2.gz TXEGIOHLHCTODI-GHMZBOCLSA-N 0 1 292.339 2.151 20 5 CEBDMN CCCN(C)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000049480593 521512514 /nfs/dbraw/zinc/51/25/14/521512514.db2.gz QPGVUTULTWLAJB-JTQLQIEISA-N 0 1 265.313 2.264 20 5 CEBDMN CO[C@@H]1CCC[C@H]1NCc1csc([N+](=O)[O-])c1 ZINC000050372035 523662881 /nfs/dbraw/zinc/66/28/81/523662881.db2.gz UVXCQRLAPATGNT-NXEZZACHSA-N 0 1 256.327 2.313 20 5 CEBDMN Cc1ccc([C@@H]2C[C@H](C)N(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)cc1 ZINC000365892217 525854694 /nfs/dbraw/zinc/85/46/94/525854694.db2.gz ZBPQHFMOTCAVRP-MYPMTAMASA-N 0 1 288.347 2.365 20 5 CEBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@@H]1C1CCCCC1 ZINC000363439278 526508701 /nfs/dbraw/zinc/50/87/01/526508701.db2.gz DLSFTRNEXMWEOH-JHJVBQTASA-N 0 1 266.341 2.223 20 5 CEBDMN CC(C)(C)c1nc(CNc2ncccc2[N+](=O)[O-])n[nH]1 ZINC000413423253 526849029 /nfs/dbraw/zinc/84/90/29/526849029.db2.gz ZDOTXCJWVNREAX-UHFFFAOYSA-N 0 1 276.300 2.018 20 5 CEBDMN O=[N+]([O-])c1cc(Cl)ccc1CNCCn1cccn1 ZINC000050443676 527332675 /nfs/dbraw/zinc/33/26/75/527332675.db2.gz IVIFQFMYMRIRBE-UHFFFAOYSA-N 0 1 280.715 2.235 20 5 CEBDMN CCN(C)C(=O)CNCc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000185186022 535726389 /nfs/dbraw/zinc/72/63/89/535726389.db2.gz HGYIHPLKYYDCNF-UHFFFAOYSA-N 0 1 293.367 2.286 20 5 CEBDMN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCN(C)[C@H](C)C1 ZINC000761079388 574518560 /nfs/dbraw/zinc/51/85/60/574518560.db2.gz QSTIKJDZPZMIHY-VXGBXAGGSA-N 0 1 263.341 2.292 20 5 CEBDMN COC(=O)C[C@H](NCc1csc([N+](=O)[O-])c1)C1CC1 ZINC000754522015 574586381 /nfs/dbraw/zinc/58/63/81/574586381.db2.gz YFJJPGOPOWEZFQ-JTQLQIEISA-N 0 1 284.337 2.088 20 5 CEBDMN Cc1cccc(CCCOC(=O)c2ccc([N+](=O)[O-])[nH]2)n1 ZINC000732503576 574622521 /nfs/dbraw/zinc/62/25/21/574622521.db2.gz KUAFBFNPONSZPA-UHFFFAOYSA-N 0 1 289.291 2.416 20 5 CEBDMN CCc1cc(CNC(=O)Nc2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000732822900 574632310 /nfs/dbraw/zinc/63/23/10/574632310.db2.gz XVPQMUYYFHXKDI-UHFFFAOYSA-N 0 1 289.295 2.202 20 5 CEBDMN C[C@@H](OC(=O)c1ccc([N+](=O)[O-])[nH]1)C(F)(F)F ZINC000744336193 575119009 /nfs/dbraw/zinc/11/90/09/575119009.db2.gz MXCAOHQEOGPZGL-SCSAIBSYSA-N 0 1 252.148 2.031 20 5 CEBDMN O=C([O-])[C@@H]1CC[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000819287008 604785856 /nfs/dbraw/zinc/78/58/56/604785856.db2.gz NGNFUUXQGPASQI-SECBINFHSA-N 0 1 284.699 2.155 20 5 CEBDMN C[C@@H]1C[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C[C@H]1C(=O)[O-] ZINC000828457381 604789829 /nfs/dbraw/zinc/78/98/29/604789829.db2.gz TXTDLQLSDCJURV-PSASIEDQSA-N 0 1 298.726 2.401 20 5 CEBDMN O=C(OCC[C@H]1CCCCO1)c1ccc([N+](=O)[O-])[nH]1 ZINC000784955819 627965920 /nfs/dbraw/zinc/96/59/20/627965920.db2.gz NFJYMCMRZQXNPM-SECBINFHSA-N 0 1 268.269 2.039 20 5 CEBDMN Cc1nn(CN2C[C@H](C)[C@H](C)[C@H]2C)c(C)c1[N+](=O)[O-] ZINC000841693219 628923883 /nfs/dbraw/zinc/92/38/83/628923883.db2.gz UBPFATMSPKPRIP-ATZCPNFKSA-N 0 1 266.345 2.342 20 5 CEBDMN C[C@@H](CCOCc1ccccc1)OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000893704060 628949216 /nfs/dbraw/zinc/94/92/16/628949216.db2.gz YARMGWSGBVYFJB-IACUBPJLSA-N 0 1 293.319 2.190 20 5 CEBDMN C[C@H]1[C@@H](NC(=O)c2c(Cl)cccc2[N+](=O)[O-])CCN1C ZINC000928442336 629674919 /nfs/dbraw/zinc/67/49/19/629674919.db2.gz QDYYRNOWAOXBRK-WPRPVWTQSA-N 0 1 297.742 2.071 20 5 CEBDMN CN1CCN(c2ccc([N+](=O)[O-])cn2)C[C@@H]1C(C)(C)C ZINC000895100226 629895607 /nfs/dbraw/zinc/89/56/07/629895607.db2.gz SBZVHAHPVVTCSJ-GFCCVEGCSA-N 0 1 278.356 2.156 20 5 CEBDMN Cc1cc(N[C@@H](C)[C@H]2CN(C)CCN2C)c([N+](=O)[O-])s1 ZINC000895247117 630060473 /nfs/dbraw/zinc/06/04/73/630060473.db2.gz SXTNWBLUOXWZPY-CMPLNLGQSA-N 0 1 298.412 2.011 20 5 CEBDMN O=[N+]([O-])c1ccccc1/C=C/CN1CCc2ncncc2C1 ZINC000895723287 630315402 /nfs/dbraw/zinc/31/54/02/630315402.db2.gz UPQUUMBYDDYCSJ-HWKANZROSA-N 0 1 296.330 2.456 20 5 CEBDMN C[C@@H]1CN(c2cccc(F)c2[N+](=O)[O-])[C@@H](C)CN1C ZINC000785836713 631741596 /nfs/dbraw/zinc/74/15/96/631741596.db2.gz CKULFBONQFVYKW-ZJUUUORDSA-N 0 1 267.304 2.263 20 5 CEBDMN Cc1nc([C@@H](C)OC(=O)c2c(C)cccc2[N+](=O)[O-])n[nH]1 ZINC000840063410 631750435 /nfs/dbraw/zinc/75/04/35/631750435.db2.gz KYPJMXFGEACXPX-MRVPVSSYSA-N 0 1 290.279 2.248 20 5 CEBDMN Cc1nc([C@@H](C)OC(=O)c2cc([N+](=O)[O-])ccc2C)n[nH]1 ZINC000840226005 632357041 /nfs/dbraw/zinc/35/70/41/632357041.db2.gz SCNNPQOABYDKPV-MRVPVSSYSA-N 0 1 290.279 2.248 20 5 CEBDMN Cc1ccc(N2CC[C@H](c3nc[nH]n3)C2)c([N+](=O)[O-])c1 ZINC000819948623 634294839 /nfs/dbraw/zinc/29/48/39/634294839.db2.gz KVZJRUFXFDIATF-JTQLQIEISA-N 0 1 273.296 2.015 20 5 CEBDMN O=[N+]([O-])c1ccc(Cl)cc1N1CC[C@H](c2nc[nH]n2)C1 ZINC000819948499 634295222 /nfs/dbraw/zinc/29/52/22/634295222.db2.gz GRSDXQYASIKGSJ-QMMMGPOBSA-N 0 1 293.714 2.360 20 5 CEBDMN O=[N+]([O-])c1ccc(O)cc1CSCCO[C@H]1CCOC1 ZINC000901831787 634323947 /nfs/dbraw/zinc/32/39/47/634323947.db2.gz AUBSJUJKKYLKOD-LBPRGKRZSA-N 0 1 299.348 2.339 20 5 CEBDMN COc1cc([C@@H](C)NCc2c[nH]nc2C)cc([N+](=O)[O-])c1 ZINC000903120212 634980704 /nfs/dbraw/zinc/98/07/04/634980704.db2.gz MFJNFKANIBHVIX-SECBINFHSA-N 0 1 290.323 2.486 20 5 CEBDMN COc1cc([C@@H](C)NCc2cncn2C)cc([N+](=O)[O-])c1 ZINC000903170791 635004977 /nfs/dbraw/zinc/00/49/77/635004977.db2.gz CDFPVLZLAFUGHC-SNVBAGLBSA-N 0 1 290.323 2.188 20 5 CEBDMN CC(C)N(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CC(C)(C)C1 ZINC000840474979 635026607 /nfs/dbraw/zinc/02/66/07/635026607.db2.gz QMYWBVZSOZCWJC-GHMZBOCLSA-N 0 1 254.330 2.077 20 5 CEBDMN Cc1nc(NC(=O)[C@H]2CCCN2C(C)C)ccc1[N+](=O)[O-] ZINC000903817597 635273477 /nfs/dbraw/zinc/27/34/77/635273477.db2.gz ADPRGVZVRJWUPP-GFCCVEGCSA-N 0 1 292.339 2.110 20 5 CEBDMN Cc1c(C[N@H+]2CCC[C@@H]3C[C@@]32C(=O)[O-])cccc1[N+](=O)[O-] ZINC000903936622 635362726 /nfs/dbraw/zinc/36/27/26/635362726.db2.gz OOJDUYPHPJLBBO-DOMZBBRYSA-N 0 1 290.319 2.342 20 5 CEBDMN CC[C@H](C)[C@@H](C(=O)[O-])[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000903962572 635371714 /nfs/dbraw/zinc/37/17/14/635371714.db2.gz JMKMSSANBMJWRP-HZMBPMFUSA-N 0 1 292.335 2.452 20 5 CEBDMN CSCc1cc(F)ccc1CNCC[N+](=O)[O-] ZINC000905158734 635833531 /nfs/dbraw/zinc/83/35/31/635833531.db2.gz IHHAQEMLWHEMCF-UHFFFAOYSA-N 0 1 258.318 2.055 20 5 CEBDMN CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](CC)CCC(=O)[O-] ZINC000830094475 636981104 /nfs/dbraw/zinc/98/11/04/636981104.db2.gz GNBGXZKLKWOXPF-UHFFFAOYSA-N 0 1 296.323 2.290 20 5 CEBDMN Cc1cc(N[C@@H]2CC[N@@H+](C)[C@@H]2C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000910355065 638025506 /nfs/dbraw/zinc/02/55/06/638025506.db2.gz GFILNXJXRSTMCF-BXKDBHETSA-N 0 1 293.323 2.106 20 5 CEBDMN C[C@@H](OCC1CC1)C(=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837471609 639243385 /nfs/dbraw/zinc/24/33/85/639243385.db2.gz RFQNVBKJKXASIU-SECBINFHSA-N 0 1 295.291 2.159 20 5 CEBDMN O=C(C=C1CCC1)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837573330 639288732 /nfs/dbraw/zinc/28/87/32/639288732.db2.gz DGJHNJKNAHHNIL-UHFFFAOYSA-N 0 1 263.249 2.454 20 5 CEBDMN CCOC1CC(C(=O)OCc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000837729972 639362019 /nfs/dbraw/zinc/36/20/19/639362019.db2.gz LOHKNHGJEYENRV-UHFFFAOYSA-N 0 1 295.291 2.159 20 5 CEBDMN O=C(OCc1sccc1Cl)[C@@H]1CC1[N+](=O)[O-] ZINC000840674640 639512039 /nfs/dbraw/zinc/51/20/39/639512039.db2.gz OBYJMQFGLIRLFC-IYSWYEEDSA-N 0 1 261.686 2.110 20 5 CEBDMN O=C(O[C@@H](c1ccccc1)c1ccncc1)[C@@H]1CC1[N+](=O)[O-] ZINC000842295418 640002181 /nfs/dbraw/zinc/00/21/81/640002181.db2.gz GDENZDJAUXJAGZ-KFWWJZLASA-N 0 1 298.298 2.379 20 5 CEBDMN O=[N+]([O-])c1ccccc1OCCN1C[C@H]2[C@@H](C1)C2(F)F ZINC000844454296 640733958 /nfs/dbraw/zinc/73/39/58/640733958.db2.gz SYKNNIFABROGJP-AOOOYVTPSA-N 0 1 284.262 2.171 20 5 CEBDMN C[C@@H]1CN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])C[C@@H](C)N1 ZINC000070076499 641629550 /nfs/dbraw/zinc/62/95/50/641629550.db2.gz DRHOTAXUASTTSD-RKDXNWHRSA-N 0 1 297.742 2.071 20 5 CEBDMN CN[C@@H](C)c1nc(-c2cc(C)cc([N+](=O)[O-])c2)no1 ZINC000848630842 642082224 /nfs/dbraw/zinc/08/22/24/642082224.db2.gz SPSRSNVAPFUSQR-QMMMGPOBSA-N 0 1 262.269 2.234 20 5 CEBDMN C[C@@H](OC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1)c1nnc[nH]1 ZINC000853224955 643712957 /nfs/dbraw/zinc/71/29/57/643712957.db2.gz JWWQKBLSTXESDN-RKDXNWHRSA-N 0 1 290.279 2.121 20 5 CEBDMN CC1C[C@H]2CC[C@@H](C1)N2Cn1nccc1[N+](=O)[O-] ZINC000853607014 643831351 /nfs/dbraw/zinc/83/13/51/643831351.db2.gz ZLQHSOVHSRXRJK-FGWVZKOKSA-N 0 1 250.302 2.012 20 5 CEBDMN CC[C@@H](C(=O)OCc1onc(C)c1[N+](=O)[O-])N(CC)CC ZINC000853899448 643936364 /nfs/dbraw/zinc/93/63/64/643936364.db2.gz MNLIIPQQXAOEBV-JTQLQIEISA-N 0 1 299.327 2.055 20 5 CEBDMN Cc1cc([C@H](C)NC(=O)[C@@H]2CC2[N+](=O)[O-])c(C)s1 ZINC000839516799 644242222 /nfs/dbraw/zinc/24/22/22/644242222.db2.gz KNDKBJNNPNEVRB-WHGOUJPWSA-N 0 1 268.338 2.207 20 5 CEBDMN CC(C)CN(CCc1ccccc1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839512641 644245012 /nfs/dbraw/zinc/24/50/12/644245012.db2.gz LAOYEKLOHZTHTB-HUUCEWRRSA-N 0 1 290.363 2.379 20 5 CEBDMN CCC[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839651885 644763330 /nfs/dbraw/zinc/76/33/30/644763330.db2.gz SQSTYVGQYVCJHZ-DDHJBXDOSA-N 0 1 254.330 2.127 20 5 CEBDMN CC(C)(CNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1ccccc1 ZINC000839685943 644773250 /nfs/dbraw/zinc/77/32/50/644773250.db2.gz IRKHIRWSLSWEEO-CHWSQXEVSA-N 0 1 276.336 2.037 20 5 CEBDMN Cc1ccccc1[C@H]1C[C@H](C)N(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839688685 644774268 /nfs/dbraw/zinc/77/42/68/644774268.db2.gz ULSFYFMEDPNTKX-DDHJSBNISA-N 0 1 288.347 2.365 20 5 CEBDMN CC[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1cc(F)ccc1F ZINC000839692817 644775608 /nfs/dbraw/zinc/77/56/08/644775608.db2.gz MSWVSOCEURSMCY-ADEWGFFLSA-N 0 1 284.262 2.197 20 5 CEBDMN Cc1ccc(C(C)(C)CN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC000839694043 644776162 /nfs/dbraw/zinc/77/61/62/644776162.db2.gz XBJQJBSWFGXFRK-ZIAGYGMSSA-N 0 1 290.363 2.396 20 5 CEBDMN O=C(NC[C@@H]1CCC[C@@H](C(F)(F)F)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000839698748 644777195 /nfs/dbraw/zinc/77/71/95/644777195.db2.gz FJGWDMPRHOYXBG-ZYUZMQFOSA-N 0 1 294.273 2.137 20 5 CEBDMN C[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1nc2ccccc2s1 ZINC000839684403 644784681 /nfs/dbraw/zinc/78/46/81/644784681.db2.gz VAUCIYBUZMFSGO-QXFUBDJGSA-N 0 1 291.332 2.139 20 5 CEBDMN CC(C)[C@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1ccccc1 ZINC000839734762 644785712 /nfs/dbraw/zinc/78/57/12/644785712.db2.gz YFYUFPHGENIQEX-RRFJBIMHSA-N 0 1 290.363 2.283 20 5 CEBDMN CC1(C)Cc2cccc(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])c2O1 ZINC000839735361 644786274 /nfs/dbraw/zinc/78/62/74/644786274.db2.gz ZJUYSOOCCWJDSX-MWLCHTKSSA-N 0 1 276.292 2.004 20 5 CEBDMN COCC[C@]1(NCc2cc(F)ccc2[N+](=O)[O-])CCOC1 ZINC000773943201 646788538 /nfs/dbraw/zinc/78/85/38/646788538.db2.gz LWHCIKMOXFKJJV-AWEZNQCLSA-N 0 1 298.314 2.019 20 5 CEBDMN CCO[C@@H]1COCC[C@@H]1NCc1cc(F)ccc1[N+](=O)[O-] ZINC000776485674 647066217 /nfs/dbraw/zinc/06/62/17/647066217.db2.gz UNTROEQIRSODBG-GXTWGEPZSA-N 0 1 298.314 2.018 20 5 CEBDMN O=C(Nc1ccc(O)cc1F)c1cc(O)cc([N+](=O)[O-])c1 ZINC000782853281 647659919 /nfs/dbraw/zinc/65/99/19/647659919.db2.gz UVYLVGLNCLDOFO-UHFFFAOYSA-N 0 1 292.222 2.397 20 5 CEBDMN C[C@@H](NCCc1cnccn1)c1c(F)cccc1[N+](=O)[O-] ZINC000872052393 649255914 /nfs/dbraw/zinc/25/59/14/649255914.db2.gz DDMHABAUDFTNNS-SNVBAGLBSA-N 0 1 290.298 2.417 20 5 CEBDMN CC(C)C[C@H]1CCCN1Cn1nccc1[N+](=O)[O-] ZINC000129592857 652035527 /nfs/dbraw/zinc/03/55/27/652035527.db2.gz WFHNUYFRNYEDPT-LLVKDONJSA-N 0 1 252.318 2.259 20 5 CEBDMN O=[N+]([O-])c1c(Cl)nccc1O[C@@H]1CN2CCC1CC2 ZINC001228058975 806119876 /nfs/dbraw/zinc/11/98/76/806119876.db2.gz YXDXZINRHILHGL-SNVBAGLBSA-N 0 1 283.715 2.116 20 5 CEBDMN CN1CCC[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2Cl)C1 ZINC000160404136 806869622 /nfs/dbraw/zinc/86/96/22/806869622.db2.gz CJDMYWKIRFSJON-SECBINFHSA-N 0 1 297.742 2.072 20 5 CEBDMN CN1CC[C@@H]1CNc1ccc2ncccc2c1[N+](=O)[O-] ZINC000712558551 814766707 /nfs/dbraw/zinc/76/67/07/814766707.db2.gz QXFRKYGMZMLIIT-SNVBAGLBSA-N 0 1 272.308 2.259 20 5 CEBDMN O=[N+]([O-])c1ccc(CN2CC[C@H]3COC[C@H]3C2)cc1F ZINC000690779915 803480716 /nfs/dbraw/zinc/48/07/16/803480716.db2.gz PEYFDDJNWKTVSX-NWDGAFQWSA-N 0 1 280.299 2.202 20 5 CEBDMN CC(C)[C@@H](C(=O)OCc1ccc(F)cc1[N+](=O)[O-])N(C)C ZINC001118401468 815011492 /nfs/dbraw/zinc/01/14/92/815011492.db2.gz LWKKCWUSCULOKO-ZDUSSCGKSA-N 0 1 298.314 2.363 20 5 CEBDMN CCN1CC[C@@H](Oc2cccc([N+](=O)[O-])c2F)C1 ZINC001225794330 805299133 /nfs/dbraw/zinc/29/91/33/805299133.db2.gz NODHMDJAICTXKG-SECBINFHSA-N 0 1 254.261 2.207 20 5 CEBDMN CC1(C)CN(C(=O)c2cccc([N+](=O)[O-])c2Cl)CCN1 ZINC000701045972 809382974 /nfs/dbraw/zinc/38/29/74/809382974.db2.gz AFFHERRFPHGJRL-UHFFFAOYSA-N 0 1 297.742 2.072 20 5 CEBDMN CCN1CC[C@@H]1CNc1cc(OC)ccc1[N+](=O)[O-] ZINC000712543836 814764318 /nfs/dbraw/zinc/76/43/18/814764318.db2.gz UUCUUDRJQFPYRQ-SNVBAGLBSA-N 0 1 265.313 2.110 20 5 CEBDMN Cc1ccc(C[N@H+]2CCC[C@H]2CC(=O)[O-])cc1[N+](=O)[O-] ZINC000714013611 814882195 /nfs/dbraw/zinc/88/21/95/814882195.db2.gz ANGHHGOQZKIRAP-LBPRGKRZSA-N 0 1 278.308 2.342 20 5 CEBDMN Cc1ccc(C[N@H+]2CCC[C@@H](C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000714012344 814882293 /nfs/dbraw/zinc/88/22/93/814882293.db2.gz CZHZSXAPJYBSQG-GFCCVEGCSA-N 0 1 278.308 2.200 20 5 CEBDMN CCN([C@@H](C)Cc1ccc([N+](=O)[O-])cc1)C1COC1 ZINC001173232784 815632321 /nfs/dbraw/zinc/63/23/21/815632321.db2.gz HWRJGGXGEXKFPV-NSHDSACASA-N 0 1 264.325 2.247 20 5 CEBDMN CCn1nccc1CNCc1ccc([N+](=O)[O-])cc1 ZINC000125224778 187175349 /nfs/dbraw/zinc/17/53/49/187175349.db2.gz NOLZBVWZFLEMRR-UHFFFAOYSA-N 0 1 260.297 2.101 20 5 CEBDMN CCNC(=O)[C@H](C)N[C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000036794864 361859883 /nfs/dbraw/zinc/85/98/83/361859883.db2.gz NPZXMVANNWGKSE-GWCFXTLKSA-N 0 1 279.340 2.160 20 5 CEBDMN CC[C@H]1CCN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000125746867 187198409 /nfs/dbraw/zinc/19/84/09/187198409.db2.gz GQFRSSOVINICPB-LBPRGKRZSA-N 0 1 291.351 2.290 20 5 CEBDMN CCc1nnc(SCCOc2cccc([N+](=O)[O-])c2)[nH]1 ZINC000042154893 362062454 /nfs/dbraw/zinc/06/24/54/362062454.db2.gz OBCXUZFBOKWVGT-UHFFFAOYSA-N 0 1 294.336 2.446 20 5 CEBDMN CCc1n[nH]c(SCCOc2cccc([N+](=O)[O-])c2)n1 ZINC000042154893 362062459 /nfs/dbraw/zinc/06/24/59/362062459.db2.gz OBCXUZFBOKWVGT-UHFFFAOYSA-N 0 1 294.336 2.446 20 5 CEBDMN COc1ccc([N+](=O)[O-])cc1CN[C@@H]1C[C@H](C)O[C@H]1C ZINC000294988283 199286601 /nfs/dbraw/zinc/28/66/01/199286601.db2.gz HKOFYRQPPSCSED-OUJBWJOFSA-N 0 1 280.324 2.259 20 5 CEBDMN CC/C=C\CNCc1cc(OC)c(O)cc1[N+](=O)[O-] ZINC000449452700 282243661 /nfs/dbraw/zinc/24/36/61/282243661.db2.gz GPDXTMXUNFLDIE-PLNGDYQASA-N 0 1 266.297 2.365 20 5 CEBDMN CCC(CC)NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000046306055 362180420 /nfs/dbraw/zinc/18/04/20/362180420.db2.gz BJQVUFLBEOFPDK-UHFFFAOYSA-N 0 1 276.296 2.390 20 5 CEBDMN O=C(NCc1ccccc1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000028026576 343396099 /nfs/dbraw/zinc/39/60/99/343396099.db2.gz KKSJTJWODHHKMO-UHFFFAOYSA-N 0 1 296.286 2.401 20 5 CEBDMN Cc1c(C[N@H+](CC(=O)[O-])C(C)C)cccc1[N+](=O)[O-] ZINC000037994719 343432855 /nfs/dbraw/zinc/43/28/55/343432855.db2.gz HWVCKHIGPPGRLL-UHFFFAOYSA-N 0 1 266.297 2.198 20 5 CEBDMN C[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])[C@@H](C)c1ccccc1 ZINC000127321050 365741495 /nfs/dbraw/zinc/74/14/95/365741495.db2.gz LPPCACXTPQIQAK-NXEZZACHSA-N 0 1 288.307 2.240 20 5 CEBDMN CC(C)OCCN1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000047743193 362223661 /nfs/dbraw/zinc/22/36/61/362223661.db2.gz NSTFRFOUWFKDAR-UHFFFAOYSA-N 0 1 293.367 2.142 20 5 CEBDMN CC(C)OCCN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000066864749 343724228 /nfs/dbraw/zinc/72/42/28/343724228.db2.gz HEDWLDUMNUIUHZ-UHFFFAOYSA-N 0 1 293.367 2.142 20 5 CEBDMN CCC1(O)CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000075858493 343869454 /nfs/dbraw/zinc/86/94/54/343869454.db2.gz IXLYJJCDXVFGPJ-UHFFFAOYSA-N 0 1 264.325 2.332 20 5 CEBDMN CC(C)N(CCn1cc([N+](=O)[O-])cn1)Cc1cccnc1 ZINC000093223994 344217112 /nfs/dbraw/zinc/21/71/12/344217112.db2.gz NPSVGUYYHYCCSJ-UHFFFAOYSA-N 0 1 289.339 2.097 20 5 CEBDMN Cn1cc(CN2C3CCCC2CCC3)c([N+](=O)[O-])n1 ZINC000602478085 347051805 /nfs/dbraw/zinc/05/18/05/347051805.db2.gz VXSRIXKGRKBDQH-UHFFFAOYSA-N 0 1 264.329 2.235 20 5 CEBDMN CC(C)[N@H+]1CC[C@H](CNc2ncc([N+](=O)[O-])s2)C1 ZINC000226770755 344551410 /nfs/dbraw/zinc/55/14/10/344551410.db2.gz CWSZYOKNYWMQOG-SECBINFHSA-N 0 1 270.358 2.194 20 5 CEBDMN O=[N+]([O-])c1cc(F)ccc1-c1nc([C@@H]2CCCN2)no1 ZINC000228560545 344561091 /nfs/dbraw/zinc/56/10/91/344561091.db2.gz YHEWOBLEWLDDME-VIFPVBQESA-N 0 1 278.243 2.208 20 5 CEBDMN C[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)[C@@H](C(=O)[O-])C1 ZINC000229297863 344565122 /nfs/dbraw/zinc/56/51/22/344565122.db2.gz XNJQXCUMLTZCNA-GXFFZTMASA-N 0 1 278.308 2.280 20 5 CEBDMN CSCCNCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602498885 347058732 /nfs/dbraw/zinc/05/87/32/347058732.db2.gz LTHUZGDRYRCJPO-UHFFFAOYSA-N 0 1 267.310 2.189 20 5 CEBDMN O=[N+]([O-])c1ccc2oc(CNC[C@H]3CCCO3)nc2c1 ZINC000602499210 347058564 /nfs/dbraw/zinc/05/85/64/347058564.db2.gz PDCXEIOXDXTZIY-SNVBAGLBSA-N 0 1 277.280 2.005 20 5 CEBDMN Cc1ccc(CN2C[C@H](O)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000449767032 282359995 /nfs/dbraw/zinc/35/99/95/282359995.db2.gz POFWUYFMIAUKIZ-GXFFZTMASA-N 0 1 264.325 2.106 20 5 CEBDMN CC[N@@H+](CCSC)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000592201185 345337265 /nfs/dbraw/zinc/33/72/65/345337265.db2.gz CLFNZMBVICITNK-UHFFFAOYSA-N 0 1 270.354 2.485 20 5 CEBDMN C[C@@H]1CC[C@H](C(=O)[O-])[N@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000593291073 345463213 /nfs/dbraw/zinc/46/32/13/345463213.db2.gz XLSOWSQRPKQWTJ-PRHODGIISA-N 0 1 282.271 2.171 20 5 CEBDMN CC[C@H](C(=O)[O-])[N@@H+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000593332396 345468165 /nfs/dbraw/zinc/46/81/65/345468165.db2.gz MHBLJMYWTTZIGX-WAFBPQNNSA-N 0 1 278.308 2.403 20 5 CEBDMN O=C([O-])[C@@H]1C[N@@H+](Cc2csc([N+](=O)[O-])c2)C[C@H]1C1CC1 ZINC000593756249 345533074 /nfs/dbraw/zinc/53/30/74/345533074.db2.gz NRQWOFUFEKUFLF-WDEREUQCSA-N 0 1 296.348 2.199 20 5 CEBDMN Cc1cc(N(C)C[C@H](C)O)c2cc([N+](=O)[O-])ccc2n1 ZINC000122239522 232205649 /nfs/dbraw/zinc/20/56/49/232205649.db2.gz GEGZTCROWFUBOJ-JTQLQIEISA-N 0 1 275.308 2.268 20 5 CEBDMN Cc1ccc(C[N@@H+](CC(=O)[O-])C2CCC2)cc1[N+](=O)[O-] ZINC000594540208 345644721 /nfs/dbraw/zinc/64/47/21/345644721.db2.gz QUIVEWINFCPDSC-UHFFFAOYSA-N 0 1 278.308 2.342 20 5 CEBDMN Cc1nc(CNCCOc2ccc([N+](=O)[O-])cc2)[nH]c1C ZINC000594922948 345703081 /nfs/dbraw/zinc/70/30/81/345703081.db2.gz IGTKNOQQHTWRQS-UHFFFAOYSA-N 0 1 290.323 2.103 20 5 CEBDMN Cc1noc(CN[C@@H](CCO)C2CCCCC2)c1[N+](=O)[O-] ZINC000595424218 345778295 /nfs/dbraw/zinc/77/82/95/345778295.db2.gz PIELSBIACINFSG-LBPRGKRZSA-N 0 1 297.355 2.312 20 5 CEBDMN CCOC(=O)[C@H](C)[C@@H](C)NCc1ccc(F)cc1[N+](=O)[O-] ZINC000595429136 345780651 /nfs/dbraw/zinc/78/06/51/345780651.db2.gz LZPZTQNAQPPRKR-NXEZZACHSA-N 0 1 298.314 2.411 20 5 CEBDMN Cc1noc(CN[C@@H]2[C@H]3CCCO[C@H]3C2(C)C)c1[N+](=O)[O-] ZINC000595510889 345800343 /nfs/dbraw/zinc/80/03/43/345800343.db2.gz DPUSTUUUINIDPA-OASPWFOLSA-N 0 1 295.339 2.184 20 5 CEBDMN Cc1cc(N2CCN(CC3CC3)CC2)c([N+](=O)[O-])s1 ZINC000596087377 345936493 /nfs/dbraw/zinc/93/64/93/345936493.db2.gz AJQYWZGCADDPNJ-UHFFFAOYSA-N 0 1 281.381 2.497 20 5 CEBDMN CC[C@H]1CCCC[N@H+]1CCNc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596126041 345945317 /nfs/dbraw/zinc/94/53/17/345945317.db2.gz HXBSLUVAXROBND-NSHDSACASA-N 0 1 294.355 2.372 20 5 CEBDMN O=[N+]([O-])c1cc(F)ccc1CN1CCN(CCCF)CC1 ZINC000599669525 346559055 /nfs/dbraw/zinc/55/90/55/346559055.db2.gz JYVJWAOZOWHIJL-UHFFFAOYSA-N 0 1 299.321 2.211 20 5 CEBDMN CC(C)[C@H]1CNCCN1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000599605184 346544971 /nfs/dbraw/zinc/54/49/71/346544971.db2.gz VDQKHSLMSQEMJL-CYBMUJFWSA-N 0 1 292.339 2.057 20 5 CEBDMN CC(C)(C)N1CC[C@@H]1CNc1ncc(F)cc1[N+](=O)[O-] ZINC000601190980 346782107 /nfs/dbraw/zinc/78/21/07/346782107.db2.gz HRHAWCYPTKHYMQ-SNVBAGLBSA-N 0 1 282.319 2.414 20 5 CEBDMN C[C@@H]1C[C@@H](NCCc2ccc([N+](=O)[O-])cc2)c2ncnn21 ZINC000602705485 347160127 /nfs/dbraw/zinc/16/01/27/347160127.db2.gz GNOSLCOMMGRHSY-ZWNOBZJWSA-N 0 1 287.323 2.024 20 5 CEBDMN Cc1[nH]ncc1CNc1ncnc2sc([N+](=O)[O-])cc21 ZINC000336831740 365896605 /nfs/dbraw/zinc/89/66/05/365896605.db2.gz DPUSXEPDRUEQMR-UHFFFAOYSA-N 0 1 290.308 2.243 20 5 CEBDMN CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@H]1CCCCN1C ZINC000609548399 347642866 /nfs/dbraw/zinc/64/28/66/347642866.db2.gz ZRRDFCMOQHGMEO-CQSZACIVSA-N 0 1 291.351 2.038 20 5 CEBDMN COCCN1CCC(Nc2sccc2[N+](=O)[O-])CC1 ZINC000611412451 347776160 /nfs/dbraw/zinc/77/61/60/347776160.db2.gz PWQMWZQKALFIPR-UHFFFAOYSA-N 0 1 285.369 2.179 20 5 CEBDMN C[C@@H]1COCCCN1Cc1ccc([N+](=O)[O-])cc1 ZINC000610990795 347728379 /nfs/dbraw/zinc/72/83/79/347728379.db2.gz NIMOXOMKHAQIMA-LLVKDONJSA-N 0 1 250.298 2.206 20 5 CEBDMN CCN1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000611082438 347737183 /nfs/dbraw/zinc/73/71/83/347737183.db2.gz HDHRDZNAZSNXRX-LLVKDONJSA-N 0 1 292.339 2.153 20 5 CEBDMN C[C@@H]1CCCN1Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611271292 347760773 /nfs/dbraw/zinc/76/07/73/347760773.db2.gz FSCBMYYSSLXPSC-SNVBAGLBSA-N 0 1 278.308 2.350 20 5 CEBDMN CCCc1[nH]nc(C(=O)N2CC[C@H](C)[C@H](F)C2)c1[N+](=O)[O-] ZINC000611505261 347786985 /nfs/dbraw/zinc/78/69/85/347786985.db2.gz AMAJGKXSBCDSGF-DTWKUNHWSA-N 0 1 298.318 2.091 20 5 CEBDMN COC[C@H]1CCCN1Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000611516431 347788992 /nfs/dbraw/zinc/78/89/92/347788992.db2.gz VNXHPZWSJRFLNR-GFCCVEGCSA-N 0 1 280.324 2.214 20 5 CEBDMN COc1ccc(CN[C@H](C)c2c[nH]nc2C)cc1[N+](=O)[O-] ZINC000611519158 347790231 /nfs/dbraw/zinc/79/02/31/347790231.db2.gz RPJDUNNQLARARV-SECBINFHSA-N 0 1 290.323 2.486 20 5 CEBDMN CCc1nnc([C@@H](C)NCCc2ccc([N+](=O)[O-])cc2)[nH]1 ZINC000613066846 347968159 /nfs/dbraw/zinc/96/81/59/347968159.db2.gz APXZOVDBHHSCNS-SNVBAGLBSA-N 0 1 289.339 2.169 20 5 CEBDMN C[C@@H](CCN1CCN(C)CC1)Nc1ccc([N+](=O)[O-])s1 ZINC000613704741 348093717 /nfs/dbraw/zinc/09/37/17/348093717.db2.gz POTXAJUEUXXBNH-NSHDSACASA-N 0 1 298.412 2.094 20 5 CEBDMN O=C1[C@H]2CCCCC2=NN1c1ccc([N+](=O)[O-])cc1 ZINC000104931018 186032494 /nfs/dbraw/zinc/03/24/94/186032494.db2.gz NFFOLTALZFUXPX-NSHDSACASA-N 0 1 259.265 2.488 20 5 CEBDMN O=c1c2c([nH]n1-c1ccc([N+](=O)[O-])cc1)CCCC2 ZINC000104931018 186032496 /nfs/dbraw/zinc/03/24/96/186032496.db2.gz NFFOLTALZFUXPX-NSHDSACASA-N 0 1 259.265 2.488 20 5 CEBDMN O=C(Nc1cc(F)cc([N+](=O)[O-])c1)c1ncccc1O ZINC000352189064 219353898 /nfs/dbraw/zinc/35/38/98/219353898.db2.gz BOXMHXQVYDXDPB-UHFFFAOYSA-N 0 1 277.211 2.087 20 5 CEBDMN C[C@H]1CN(Cc2ccc(Cl)c([N+](=O)[O-])c2)CCN1C ZINC000110717431 186316361 /nfs/dbraw/zinc/31/63/61/186316361.db2.gz ZUVUWJBKHMSVKM-JTQLQIEISA-N 0 1 283.759 2.384 20 5 CEBDMN CCc1nc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])n[nH]1 ZINC000123164923 187074822 /nfs/dbraw/zinc/07/48/22/187074822.db2.gz DONVZOMCIKMMQZ-UHFFFAOYSA-N 0 1 295.686 2.181 20 5 CEBDMN CCc1n[nH]c(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC000123164923 187074823 /nfs/dbraw/zinc/07/48/23/187074823.db2.gz DONVZOMCIKMMQZ-UHFFFAOYSA-N 0 1 295.686 2.181 20 5 CEBDMN CC1(C)C[C@@H]1CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000352289315 219394490 /nfs/dbraw/zinc/39/44/90/219394490.db2.gz HYONNUKYBRCFST-MRVPVSSYSA-N 0 1 288.307 2.247 20 5 CEBDMN CN(Cc1ccc([N+](=O)[O-])cc1F)CC1(O)CCCC1 ZINC000152206880 188001982 /nfs/dbraw/zinc/00/19/82/188001982.db2.gz MNJZPUIHNGRJKV-UHFFFAOYSA-N 0 1 282.315 2.471 20 5 CEBDMN Cc1ccc(C(=O)N(C)[C@H]2CCCN(C)C2)cc1[N+](=O)[O-] ZINC000153740199 188101113 /nfs/dbraw/zinc/10/11/13/188101113.db2.gz AONKBKBNTZBMPD-ZDUSSCGKSA-N 0 1 291.351 2.069 20 5 CEBDMN COc1ccc([N+](=O)[O-])cc1CN1CC[C@H](OC)[C@H](C)C1 ZINC000451543680 283028034 /nfs/dbraw/zinc/02/80/34/283028034.db2.gz LPSHXXLKONFYIB-RISCZKNCSA-N 0 1 294.351 2.460 20 5 CEBDMN COc1cc([N+](=O)[O-])ccc1CN1CC[C@@H](OC)[C@@H](C)C1 ZINC000451571062 283038191 /nfs/dbraw/zinc/03/81/91/283038191.db2.gz POCKYNBOLDCGKK-SMDDNHRTSA-N 0 1 294.351 2.460 20 5 CEBDMN CCS[C@@H]1CCCC[C@@H]1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000133912760 366267637 /nfs/dbraw/zinc/26/76/37/366267637.db2.gz XASKUYBTGIZIQY-WCBMZHEXSA-N 0 1 298.368 2.112 20 5 CEBDMN CC[C@@H]1C[C@H]1CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000452763128 283377433 /nfs/dbraw/zinc/37/74/33/283377433.db2.gz BSNDJBSEQGTJJT-BDAKNGLRSA-N 0 1 288.307 2.247 20 5 CEBDMN CNC(=O)[C@H](C)N[C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417350152 283432892 /nfs/dbraw/zinc/43/28/92/283432892.db2.gz OLBOQZYORPLWFS-IINYFYTJSA-N 0 1 291.351 2.086 20 5 CEBDMN CCC1(O)CC[NH+](Cc2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC000339005835 366610282 /nfs/dbraw/zinc/61/02/82/366610282.db2.gz CQJVMFVYTFFGIT-UHFFFAOYSA-N 0 1 280.324 2.037 20 5 CEBDMN CCCc1[nH]nc(C(=O)N2CC[C@@H](C)[C@H]2C)c1[N+](=O)[O-] ZINC000177083374 189027628 /nfs/dbraw/zinc/02/76/28/189027628.db2.gz CPTKXKFDDNLHJJ-RKDXNWHRSA-N 0 1 280.328 2.141 20 5 CEBDMN CSCCC[N@@H+](C)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000339158802 366682083 /nfs/dbraw/zinc/68/20/83/366682083.db2.gz VJPWEAVZSGRAPJ-UHFFFAOYSA-N 0 1 270.354 2.485 20 5 CEBDMN CN(Cc1ccc(Cl)cc1[N+](=O)[O-])CC(C)(C)O ZINC000083662400 363782423 /nfs/dbraw/zinc/78/24/23/363782423.db2.gz WWYYJYXRPDHRCN-UHFFFAOYSA-N 0 1 272.732 2.451 20 5 CEBDMN COC1CCN(CCNc2sccc2[N+](=O)[O-])CC1 ZINC000302019387 201303410 /nfs/dbraw/zinc/30/34/10/201303410.db2.gz NARYWSDUYSXGGP-UHFFFAOYSA-N 0 1 285.369 2.179 20 5 CEBDMN CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@@H](N)c1ccccc1 ZINC000237159674 370696353 /nfs/dbraw/zinc/69/63/53/370696353.db2.gz RILYEBXIANEOHM-HNNXBMFYSA-N 0 1 299.330 2.253 20 5 CEBDMN C[C@H](N[C@@H]1CC(=O)N(C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000090181197 364046245 /nfs/dbraw/zinc/04/62/45/364046245.db2.gz DQDSOIRQQOLBBI-CMPLNLGQSA-N 0 1 289.335 2.009 20 5 CEBDMN CCc1nn(C)cc1CNCc1ccc(C)c([N+](=O)[O-])c1 ZINC000093113028 364142383 /nfs/dbraw/zinc/14/23/83/364142383.db2.gz SLGPWTVQACAZTH-UHFFFAOYSA-N 0 1 288.351 2.489 20 5 CEBDMN CC(=O)NC1CCN(Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000092669499 364096420 /nfs/dbraw/zinc/09/64/20/364096420.db2.gz IHTPKGWYMXPPBR-UHFFFAOYSA-N 0 1 291.351 2.004 20 5 CEBDMN O=[N+]([O-])c1ccc(CN2C[C@@H]3C[C@H]2CS3)cc1 ZINC000335175767 364579008 /nfs/dbraw/zinc/57/90/08/364579008.db2.gz YSJSMEYCOGBKTF-RYUDHWBXSA-N 0 1 250.323 2.285 20 5 CEBDMN CCN1CCCC[C@H]1C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000104274428 364690354 /nfs/dbraw/zinc/69/03/54/364690354.db2.gz UULMIRAWYJETNO-AWEZNQCLSA-N 0 1 291.351 2.085 20 5 CEBDMN COCC1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000112352745 364797414 /nfs/dbraw/zinc/79/74/14/364797414.db2.gz LBNXMYZIXRSJRU-UHFFFAOYSA-N 0 1 264.325 2.453 20 5 CEBDMN CCCc1[nH]nc(C(=O)N(C)CC2CCC2)c1[N+](=O)[O-] ZINC000111649249 364750567 /nfs/dbraw/zinc/75/05/67/364750567.db2.gz JMJFAEHUEKFOCW-UHFFFAOYSA-N 0 1 280.328 2.143 20 5 CEBDMN Cc1ccc(O)c(CNCc2ccccc2[N+](=O)[O-])n1 ZINC000112716663 364834876 /nfs/dbraw/zinc/83/48/76/364834876.db2.gz OMUUMVRASBEZCP-UHFFFAOYSA-N 0 1 273.292 2.294 20 5 CEBDMN CN(CCOCC1CC1)Cc1ccc([N+](=O)[O-])cc1 ZINC000159720993 366943315 /nfs/dbraw/zinc/94/33/15/366943315.db2.gz KBZFSBSRCQHJHF-UHFFFAOYSA-N 0 1 264.325 2.453 20 5 CEBDMN CCCC[N@@H+](C)CCNc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000582492145 366918596 /nfs/dbraw/zinc/91/85/96/366918596.db2.gz PBWNHBHEBCPGNA-UHFFFAOYSA-N 0 1 295.339 2.437 20 5 CEBDMN Cc1nc(NC[C@@H]2CCC[N@H+](C)C2)ccc1[N+](=O)[O-] ZINC000161550007 367095157 /nfs/dbraw/zinc/09/51/57/367095157.db2.gz NMPCICDLTRPELS-NSHDSACASA-N 0 1 264.329 2.052 20 5 CEBDMN CCc1[nH]nc(C(=O)N2CCCC(C)(C)C2)c1[N+](=O)[O-] ZINC000171857238 367629373 /nfs/dbraw/zinc/62/93/73/367629373.db2.gz STRIILYAOYAKSH-UHFFFAOYSA-N 0 1 280.328 2.143 20 5 CEBDMN CC[C@@H](NCc1n[nH]c(C)n1)c1cccc([N+](=O)[O-])c1 ZINC000358047805 370883773 /nfs/dbraw/zinc/88/37/73/370883773.db2.gz OFLABRHFZKRAKY-GFCCVEGCSA-N 0 1 275.312 2.262 20 5 CEBDMN C[C@@H](NC(=O)CN(C)C1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000173619711 367927634 /nfs/dbraw/zinc/92/76/34/367927634.db2.gz IEPLSZPXMOOZRT-LLVKDONJSA-N 0 1 291.351 2.256 20 5 CEBDMN CC[C@@H](CO)N(C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000345839285 368449252 /nfs/dbraw/zinc/44/92/52/368449252.db2.gz PXUVNRKQRRHUPT-NSHDSACASA-N 0 1 272.732 2.451 20 5 CEBDMN C[C@@H](NCCn1ccc([N+](=O)[O-])n1)c1ccc(F)cc1F ZINC000181575620 368471815 /nfs/dbraw/zinc/47/18/15/368471815.db2.gz XQPFGIJRKDRRJP-SECBINFHSA-N 0 1 296.277 2.420 20 5 CEBDMN COC(=O)N1CC(N[C@@H](C)c2cccc([N+](=O)[O-])c2C)C1 ZINC000181464612 368458581 /nfs/dbraw/zinc/45/85/81/368458581.db2.gz TYSGLYMIEQBGHH-JTQLQIEISA-N 0 1 293.323 2.004 20 5 CEBDMN CCN1C[C@@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000345942953 368489566 /nfs/dbraw/zinc/48/95/66/368489566.db2.gz FIFZHDXYCKLGEO-NWDGAFQWSA-N 0 1 291.351 2.150 20 5 CEBDMN CN(c1ncc([N+](=O)[O-])cc1Cl)[C@@H]1CCN(C2CC2)C1 ZINC000346408903 368666142 /nfs/dbraw/zinc/66/61/42/368666142.db2.gz KMRGWULJJFZFPY-SNVBAGLBSA-N 0 1 296.758 2.316 20 5 CEBDMN CC[C@H](NCCn1ccc([N+](=O)[O-])n1)c1nc(C)cs1 ZINC000184354806 368688930 /nfs/dbraw/zinc/68/89/30/368688930.db2.gz DHEUCAZPPQXARS-JTQLQIEISA-N 0 1 295.368 2.297 20 5 CEBDMN CCc1[nH]nc(C(=O)N2CCC[C@H]3CCC[C@@H]32)c1[N+](=O)[O-] ZINC000185740344 368852581 /nfs/dbraw/zinc/85/25/81/368852581.db2.gz UXIUWYFJYZDWOI-KOLCDFICSA-N 0 1 292.339 2.285 20 5 CEBDMN CCCN1CCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])s1 ZINC000330660773 203090558 /nfs/dbraw/zinc/09/05/58/203090558.db2.gz BPGHOOKMTBTNJS-JTQLQIEISA-N 0 1 297.380 2.261 20 5 CEBDMN CC[C@]1(CO)CCC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000189631116 369549700 /nfs/dbraw/zinc/54/97/00/369549700.db2.gz WRDKQQGRGCXUCW-CQSZACIVSA-N 0 1 264.325 2.332 20 5 CEBDMN CC[C@@]1(CO)CCC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000189657383 369554634 /nfs/dbraw/zinc/55/46/34/369554634.db2.gz IZCONUXESURAJT-HNNXBMFYSA-N 0 1 294.351 2.211 20 5 CEBDMN CCOc1ccc([N+](=O)[O-])cc1CN(C)CCCCO ZINC000276524318 193367001 /nfs/dbraw/zinc/36/70/01/193367001.db2.gz CNQROQQOFDXNAY-UHFFFAOYSA-N 0 1 282.340 2.198 20 5 CEBDMN C[N@@H+](CCCCCO)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000227052979 370355462 /nfs/dbraw/zinc/35/54/62/370355462.db2.gz DQIOKQKUPQESDL-UHFFFAOYSA-N 0 1 270.304 2.328 20 5 CEBDMN CC(C)CNC(=O)[C@H](C)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000228977412 370416115 /nfs/dbraw/zinc/41/61/15/370416115.db2.gz WUFKVRIGBOCUEM-RYUDHWBXSA-N 0 1 293.367 2.406 20 5 CEBDMN NC1(c2noc(-c3ccc(F)cc3[N+](=O)[O-])n2)CCC1 ZINC000261770421 371726673 /nfs/dbraw/zinc/72/66/73/371726673.db2.gz DRMWOLBHSFKSET-UHFFFAOYSA-N 0 1 278.243 2.122 20 5 CEBDMN CCc1nsc(NCCc2ccccc2[N+](=O)[O-])n1 ZINC000344050505 217027590 /nfs/dbraw/zinc/02/75/90/217027590.db2.gz QXEKKKMVKXPREG-UHFFFAOYSA-N 0 1 278.337 2.085 20 5 CEBDMN Cc1[nH]nc(C(=O)N2[C@H](C)C[C@@H]3CCCC[C@H]32)c1[N+](=O)[O-] ZINC000265579741 372023650 /nfs/dbraw/zinc/02/36/50/372023650.db2.gz IFEJKHNBYDVOLS-DVVUODLYSA-N 0 1 292.339 2.420 20 5 CEBDMN CC1CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1 ZINC000269164948 372362206 /nfs/dbraw/zinc/36/22/06/372362206.db2.gz ZWALOFFRVQUNOU-UHFFFAOYSA-N 0 1 264.281 2.173 20 5 CEBDMN C[C@H](c1cccc([N+](=O)[O-])c1)N1C[C@H](O)C2(CC2)C1 ZINC000364316414 372725112 /nfs/dbraw/zinc/72/51/12/372725112.db2.gz LZRCLESJESUAKJ-MFKMUULPSA-N 0 1 262.309 2.113 20 5 CEBDMN CC(C)c1ccc(CNC[C@@H](O)C(F)F)cc1[N+](=O)[O-] ZINC000344759666 217302335 /nfs/dbraw/zinc/30/23/35/217302335.db2.gz MDHZJCCHIXDFHZ-GFCCVEGCSA-N 0 1 288.294 2.434 20 5 CEBDMN Cc1ccccc1C1CCN(C(=O)[C@H]2CC2[N+](=O)[O-])CC1 ZINC000369070585 373327908 /nfs/dbraw/zinc/32/79/08/373327908.db2.gz AMNMBVGELQRLJS-LSDHHAIUSA-N 0 1 288.347 2.366 20 5 CEBDMN Cc1nc([C@@H]2CCCCN2c2ncccc2[N+](=O)[O-])n[nH]1 ZINC000371106164 373790450 /nfs/dbraw/zinc/79/04/50/373790450.db2.gz IZWSGPVNEIOLAY-JTQLQIEISA-N 0 1 288.311 2.148 20 5 CEBDMN O=C1OCCC12CCN(Cc1ccc([N+](=O)[O-])cc1)CC2 ZINC000371147789 373800049 /nfs/dbraw/zinc/80/00/49/373800049.db2.gz KJYDNTKSGJNEMC-UHFFFAOYSA-N 0 1 290.319 2.124 20 5 CEBDMN Cc1[nH]nc(C(=O)N2CC[C@H](C)C(C)(C)C2)c1[N+](=O)[O-] ZINC000274285419 373867345 /nfs/dbraw/zinc/86/73/45/373867345.db2.gz ZOVGLCROEMGTDW-QMMMGPOBSA-N 0 1 280.328 2.135 20 5 CEBDMN CCOc1cc(CN(C)CCOC)ccc1[N+](=O)[O-] ZINC000276864841 374328259 /nfs/dbraw/zinc/32/82/59/374328259.db2.gz GXOJIZFYKVAFNC-UHFFFAOYSA-N 0 1 268.313 2.072 20 5 CEBDMN O=[N+]([O-])c1cccc(CN2CCC[C@@H](c3nnc[nH]3)C2)c1 ZINC000374051245 374473518 /nfs/dbraw/zinc/47/35/18/374473518.db2.gz QLXUNSJUBYCYKO-GFCCVEGCSA-N 0 1 287.323 2.093 20 5 CEBDMN C[C@@H]1CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CCS1 ZINC000277694689 374612936 /nfs/dbraw/zinc/61/29/36/374612936.db2.gz DTGFNDNYLZLVOT-SECBINFHSA-N 0 1 296.348 2.268 20 5 CEBDMN CN(Cc1ccc([N+](=O)[O-])cc1F)C1CCOCC1 ZINC000388727731 375294816 /nfs/dbraw/zinc/29/48/16/375294816.db2.gz IDBSQLBTFQVMNR-UHFFFAOYSA-N 0 1 268.288 2.345 20 5 CEBDMN Cc1ccc([C@@H](C)N[C@H](C)C(=O)NCCF)cc1[N+](=O)[O-] ZINC000282809853 375580938 /nfs/dbraw/zinc/58/09/38/375580938.db2.gz RGCYQMHXXBKGRZ-GHMZBOCLSA-N 0 1 297.330 2.028 20 5 CEBDMN CC[C@H](N[C@H](C)C(=O)NCCF)c1cccc([N+](=O)[O-])c1 ZINC000282937044 375617976 /nfs/dbraw/zinc/61/79/76/375617976.db2.gz YQIXRXFLUGIUQK-MFKMUULPSA-N 0 1 297.330 2.110 20 5 CEBDMN C[C@H](O)[C@H]1CCCCN1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000283254607 375680463 /nfs/dbraw/zinc/68/04/63/375680463.db2.gz VQCLZXRIKLTHCK-GXFFZTMASA-N 0 1 282.315 2.469 20 5 CEBDMN O=[N+]([O-])c1ccc(CN[C@@H]2CCO[C@@H]2C2CC2)c(F)c1 ZINC000313685802 376749811 /nfs/dbraw/zinc/74/98/11/376749811.db2.gz QBNPQRHBDUJQNJ-ZIAGYGMSSA-N 0 1 280.299 2.391 20 5 CEBDMN C[C@@H](O)C[C@@H]1CCCC[N@H+]1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000330458864 377143353 /nfs/dbraw/zinc/14/33/53/377143353.db2.gz PPONLJADWWJCJV-YPMHNXCESA-N 0 1 294.351 2.426 20 5 CEBDMN Cc1[nH]nc(C(=O)N2CCC3(CCCC3)CC2)c1[N+](=O)[O-] ZINC000265742404 190203650 /nfs/dbraw/zinc/20/36/50/190203650.db2.gz VFGKPEAXOCKXLE-UHFFFAOYSA-N 0 1 292.339 2.423 20 5 CEBDMN CC1(C)COC[C@H]1NCc1csc([N+](=O)[O-])c1 ZINC000313014831 249375928 /nfs/dbraw/zinc/37/59/28/249375928.db2.gz FFFWGCAAHSPJAZ-SECBINFHSA-N 0 1 256.327 2.171 20 5 CEBDMN CCc1[nH]nc(C(=O)N2C[C@@H](C)C[C@@H]2CC)c1[N+](=O)[O-] ZINC000332732975 377686475 /nfs/dbraw/zinc/68/64/75/377686475.db2.gz WNCZCUBICXHLFV-IUCAKERBSA-N 0 1 280.328 2.141 20 5 CEBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCC[C@H]1CF ZINC000294173935 377927693 /nfs/dbraw/zinc/92/76/93/377927693.db2.gz STJWLNKZRBPZQN-VIFPVBQESA-N 0 1 292.270 2.045 20 5 CEBDMN Cc1ccc([C@@H](O)CNCc2ccccc2[N+](=O)[O-])o1 ZINC000266082815 190228770 /nfs/dbraw/zinc/22/87/70/190228770.db2.gz YIXMEHJQSPIZRN-ZDUSSCGKSA-N 0 1 276.292 2.319 20 5 CEBDMN C[C@@]1(F)CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000347361749 218206326 /nfs/dbraw/zinc/20/63/26/218206326.db2.gz VRTNEHXAMBELIU-CQSZACIVSA-N 0 1 295.314 2.357 20 5 CEBDMN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@H](C)C1 ZINC000299679634 379105647 /nfs/dbraw/zinc/10/56/47/379105647.db2.gz VAELHMOLQHHGRP-WDEREUQCSA-N 0 1 277.324 2.264 20 5 CEBDMN CC(C)C[C@@H](C(=O)[O-])[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000520823556 379506654 /nfs/dbraw/zinc/50/66/54/379506654.db2.gz IXIUGUUMPOOYPE-AWEZNQCLSA-N 0 1 292.335 2.452 20 5 CEBDMN Cc1c(C[N@@H+]2CC[C@@H](C)[C@H](C(=O)[O-])C2)cccc1[N+](=O)[O-] ZINC000521042801 379513157 /nfs/dbraw/zinc/51/31/57/379513157.db2.gz QYPRWNIVMJPETF-ZWNOBZJWSA-N 0 1 292.335 2.446 20 5 CEBDMN CCn1c(C)nc([N+](=O)[O-])c1N1CCc2cnccc21 ZINC000288794166 197167374 /nfs/dbraw/zinc/16/73/74/197167374.db2.gz GCVQGPYGESGGBO-UHFFFAOYSA-N 0 1 273.296 2.209 20 5 CEBDMN Cc1[nH]ncc1CCCNC(=O)c1csc([N+](=O)[O-])c1 ZINC000263929280 131362723 /nfs/dbraw/zinc/36/27/23/131362723.db2.gz BWTFWDZZTQKTSY-UHFFFAOYSA-N 0 1 294.336 2.050 20 5 CEBDMN Cn1cnc([N+](=O)[O-])c1CN1CC[C@@H](C2CCCC2)C1 ZINC000420957889 394454952 /nfs/dbraw/zinc/45/49/52/394454952.db2.gz BFQLTXXGOSJPJF-GFCCVEGCSA-N 0 1 278.356 2.340 20 5 CEBDMN CC(C)(C)c1nc(CNc2ccc([N+](=O)[O-])cn2)n[nH]1 ZINC000413421502 394547251 /nfs/dbraw/zinc/54/72/51/394547251.db2.gz RCUCEIKJNSKQIH-UHFFFAOYSA-N 0 1 276.300 2.018 20 5 CEBDMN Cc1cc(C[C@H](C)Nc2ncc(C)cc2[N+](=O)[O-])[nH]n1 ZINC000268992057 394706292 /nfs/dbraw/zinc/70/62/92/394706292.db2.gz VCQMMTAJACUCKI-VIFPVBQESA-N 0 1 275.312 2.373 20 5 CEBDMN CCc1[nH]nc(C(=O)N2C[C@@H](C)CC(C)(C)C2)c1[N+](=O)[O-] ZINC000345999500 395084789 /nfs/dbraw/zinc/08/47/89/395084789.db2.gz OKRVEEUZRKOHIG-VIFPVBQESA-N 0 1 294.355 2.389 20 5 CEBDMN CCc1[nH]nc(C(=O)N(CC2CC2)CC2CC2)c1[N+](=O)[O-] ZINC000444215793 395421785 /nfs/dbraw/zinc/42/17/85/395421785.db2.gz HCLCDCFXFDXFKV-UHFFFAOYSA-N 0 1 292.339 2.143 20 5 CEBDMN CCc1[nH]nc(C(=O)N2CCC[C@@H](C(C)C)C2)c1[N+](=O)[O-] ZINC000444386405 395430781 /nfs/dbraw/zinc/43/07/81/395430781.db2.gz WEWJTPDSLRJSTJ-SNVBAGLBSA-N 0 1 294.355 2.389 20 5 CEBDMN Cc1cc([N+](=O)[O-])ccc1CN1CC[C@@](O)(C(F)F)C1 ZINC000449465499 395549500 /nfs/dbraw/zinc/54/95/00/395549500.db2.gz DKQLKAZKSJZGGO-ZDUSSCGKSA-N 0 1 286.278 2.105 20 5 CEBDMN CCN(CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])C(C)C ZINC000195527272 153292050 /nfs/dbraw/zinc/29/20/50/153292050.db2.gz KJMAIVJVFFKDGF-UHFFFAOYSA-N 0 1 295.339 2.272 20 5 CEBDMN CCn1nc(C)c([N+](=O)[O-])c1N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000226881632 153337524 /nfs/dbraw/zinc/33/75/24/153337524.db2.gz HZUJLQVVYNSADH-ONGXEEELSA-N 0 1 281.360 2.014 20 5 CEBDMN C[C@H](C[N@@H+](C)CCCOc1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000263345341 154062633 /nfs/dbraw/zinc/06/26/33/154062633.db2.gz OLXJNQUNRSFEKE-LLVKDONJSA-N 0 1 296.323 2.016 20 5 CEBDMN O=[N+]([O-])c1cccc(CN2CCC3(CCO3)CC2)c1 ZINC000367098031 156128810 /nfs/dbraw/zinc/12/88/10/156128810.db2.gz DNTFHTFVVFQINR-UHFFFAOYSA-N 0 1 262.309 2.350 20 5 CEBDMN Cc1cc(C)cc([C@@H]2CCN(C(=O)[C@H]3CC3[N+](=O)[O-])C2)c1 ZINC000368250027 156311204 /nfs/dbraw/zinc/31/12/04/156311204.db2.gz AYFZIKHEBKRNLM-VHDGCEQUSA-N 0 1 288.347 2.285 20 5 CEBDMN Cc1c([C@H](C)NCc2cccc([N+](=O)[O-])c2)cnn1C ZINC000035274493 172093950 /nfs/dbraw/zinc/09/39/50/172093950.db2.gz KTGQDGLONOXXDJ-JTQLQIEISA-N 0 1 274.324 2.488 20 5 CEBDMN O=Cc1cc([N+](=O)[O-])ccc1OCCN1CCCCC1 ZINC000035412702 172184753 /nfs/dbraw/zinc/18/47/53/172184753.db2.gz UGIXYARUCDJQSK-UHFFFAOYSA-N 0 1 278.308 2.272 20 5 CEBDMN COCC[C@@H](C)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000566574680 299005534 /nfs/dbraw/zinc/00/55/34/299005534.db2.gz IIDIMGLKAUVQJA-LLVKDONJSA-N 0 1 264.325 2.378 20 5 CEBDMN O=[N+]([O-])c1cccc(F)c1CN[C@@H](CO)C1CCCC1 ZINC000352707362 227175816 /nfs/dbraw/zinc/17/58/16/227175816.db2.gz ADPGKJFAEYUYBS-ZDUSSCGKSA-N 0 1 282.315 2.375 20 5 CEBDMN Cc1nc(CCNc2ccc([N+](=O)[O-])c3cnccc23)n[nH]1 ZINC000392691408 270341692 /nfs/dbraw/zinc/34/16/92/270341692.db2.gz SEGPQPOBQVSFRA-UHFFFAOYSA-N 0 1 298.306 2.224 20 5 CEBDMN Cc1nnc(CCNc2ccc([N+](=O)[O-])c3cnccc23)[nH]1 ZINC000392691408 270341694 /nfs/dbraw/zinc/34/16/94/270341694.db2.gz SEGPQPOBQVSFRA-UHFFFAOYSA-N 0 1 298.306 2.224 20 5 CEBDMN COc1ccc([N+](=O)[O-])c(N2CCN(CC3CC3)CC2)c1 ZINC000266388313 274118301 /nfs/dbraw/zinc/11/83/01/274118301.db2.gz NRBZXHGIVJBJCO-UHFFFAOYSA-N 0 1 291.351 2.135 20 5 CEBDMN C[C@@H]1CCCN1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000076117720 274293374 /nfs/dbraw/zinc/29/33/74/274293374.db2.gz HPEZDCQMAXPQLM-SNVBAGLBSA-N 0 1 278.308 2.446 20 5 CEBDMN C[C@@H]1CN(Cc2c(F)cccc2[N+](=O)[O-])[C@H](C)CN1C ZINC000351929091 274352959 /nfs/dbraw/zinc/35/29/59/274352959.db2.gz XEQNQIWSLNUGHY-GHMZBOCLSA-N 0 1 281.331 2.258 20 5 CEBDMN Cn1cc(CN[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)cn1 ZINC000192721025 274892417 /nfs/dbraw/zinc/89/24/17/274892417.db2.gz PUGIUDIMMXKKFK-OAHLLOKOSA-N 0 1 286.335 2.496 20 5 CEBDMN C[C@H](O)[C@H]1CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000136321108 280060388 /nfs/dbraw/zinc/06/03/88/280060388.db2.gz ZLDUMZZZAXAEEV-RYUDHWBXSA-N 0 1 264.325 2.188 20 5 CEBDMN O=C([C@H]1CC1[N+](=O)[O-])N1CCCn2c(cc3ccccc32)C1 ZINC000377146619 280148932 /nfs/dbraw/zinc/14/89/32/280148932.db2.gz MOPXUUCINFEWMN-ZFWWWQNUSA-N 0 1 299.330 2.039 20 5 CEBDMN Cc1cccc2c1CC[C@@H]2NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000152738735 289097244 /nfs/dbraw/zinc/09/72/44/289097244.db2.gz AXLAPEHALNGJPW-NSHDSACASA-N 0 1 286.291 2.044 20 5 CEBDMN CCCC[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])C1CCC1 ZINC000153875445 289125888 /nfs/dbraw/zinc/12/58/88/289125888.db2.gz ZNPFPSYRLQIHOE-JTQLQIEISA-N 0 1 280.328 2.407 20 5 CEBDMN C[C@@H]1C[C@@H](O)CN1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000471799242 290284305 /nfs/dbraw/zinc/28/43/05/290284305.db2.gz QDDPQYQSOXKDPD-DMBZQDCGSA-N 0 1 262.309 2.063 20 5 CEBDMN O=C(NC1(C2CC2)CC1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000531867269 298124046 /nfs/dbraw/zinc/12/40/46/298124046.db2.gz RIQQOZHVBACIPL-UHFFFAOYSA-N 0 1 286.291 2.144 20 5 CEBDMN COc1cc(CN2CCC(CCO)CC2)ccc1[N+](=O)[O-] ZINC000537609385 298215428 /nfs/dbraw/zinc/21/54/28/298215428.db2.gz SPUUJFRNXJPZRA-UHFFFAOYSA-N 0 1 294.351 2.198 20 5 CEBDMN O=C([O-])C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CCC1 ZINC000567290841 299049722 /nfs/dbraw/zinc/04/97/22/299049722.db2.gz NTEKJZBNUZNVMN-UHFFFAOYSA-N 0 1 264.281 2.034 20 5 CEBDMN Cc1nc(CNCCc2ccccc2[N+](=O)[O-])[nH]c1C ZINC000515312375 313068067 /nfs/dbraw/zinc/06/80/67/313068067.db2.gz IXMUWLXBODGKPM-UHFFFAOYSA-N 0 1 274.324 2.267 20 5 CEBDMN C[C@@H](Nc1ccc([N+](=O)[O-])c2cccnc12)c1nnc[nH]1 ZINC000226500034 525711993 /nfs/dbraw/zinc/71/19/93/525711993.db2.gz RNTVXWPIIWXNFN-MRVPVSSYSA-N 0 1 284.279 2.434 20 5 CEBDMN CC[C@H](C)n1ncc(Nc2ncc([N+](=O)[O-])c(N)n2)c1C ZINC000357653224 529295337 /nfs/dbraw/zinc/29/53/37/529295337.db2.gz YEANVMCCSMWDDZ-ZETCQYMHSA-N 0 1 291.315 2.017 20 5 CEBDMN CN(Cn1ncc2ccc([N+](=O)[O-])cc21)[C@H]1CCSC1 ZINC000125224876 649874877 /nfs/dbraw/zinc/87/48/77/649874877.db2.gz MVKHILJMPMOTAI-LBPRGKRZSA-N 0 1 292.364 2.339 20 5 CEBDMN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCN(C)[C@@H](C)C1 ZINC000761079364 574518542 /nfs/dbraw/zinc/51/85/42/574518542.db2.gz QSTIKJDZPZMIHY-NWDGAFQWSA-N 0 1 263.341 2.292 20 5 CEBDMN COC1CCC(N(C)Cn2nc(C)c([N+](=O)[O-])c2C)CC1 ZINC000734476941 574716196 /nfs/dbraw/zinc/71/61/96/574716196.db2.gz JOLKIRPYGARKPH-UHFFFAOYSA-N 0 1 296.371 2.255 20 5 CEBDMN Cc1nn(CN2C[C@@H](C)C[C@H]2C)c(C)c1[N+](=O)[O-] ZINC000740860799 574969888 /nfs/dbraw/zinc/96/98/88/574969888.db2.gz INPWSUCNRIQAJH-DTWKUNHWSA-N 0 1 252.318 2.096 20 5 CEBDMN C[C@@]1(C(=O)[O-])CC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000833554277 604675032 /nfs/dbraw/zinc/67/50/32/604675032.db2.gz QFKDKZLSTSLWFL-ZDTYVGOBSA-N 0 1 290.319 2.405 20 5 CEBDMN C[C@@H]1OCC[C@@]1(C)NCc1cc(F)ccc1[N+](=O)[O-] ZINC000235447596 625566571 /nfs/dbraw/zinc/56/65/71/625566571.db2.gz NXAMTIWLQZOUON-TVQRCGJNSA-N 0 1 268.288 2.391 20 5 CEBDMN O=[N+]([O-])c1ccc(F)cc1CN1CCC[C@@H]1CCO ZINC000311659212 627686918 /nfs/dbraw/zinc/68/69/18/627686918.db2.gz JQFUICXGTKASLJ-GFCCVEGCSA-N 0 1 268.288 2.081 20 5 CEBDMN O=C(OCc1cnc(-c2cccs2)o1)[C@@H]1CC1[N+](=O)[O-] ZINC000841122625 629208913 /nfs/dbraw/zinc/20/89/13/629208913.db2.gz GXCMCIFKJCQTRA-RKDXNWHRSA-N 0 1 294.288 2.112 20 5 CEBDMN Cc1ccc(C[N@H+]2CC[C@H]3[C@@H](C2)[C@H]3C(=O)[O-])cc1[N+](=O)[O-] ZINC000902554904 634721660 /nfs/dbraw/zinc/72/16/60/634721660.db2.gz WCLWHKAMXRWYIH-SCRDCRAPSA-N 0 1 290.319 2.056 20 5 CEBDMN O=[N+]([O-])c1ccc([O-])cc1C[N@H+]1CCC[C@@H](CF)C1 ZINC000880237062 629587568 /nfs/dbraw/zinc/58/75/68/629587568.db2.gz PJHUAWYCVNUMFA-JTQLQIEISA-N 0 1 268.288 2.482 20 5 CEBDMN COC(=O)[C@H]1CCN(Cc2ccc([N+](=O)[O-])c(F)c2)[C@@H]1C ZINC000801546122 631286716 /nfs/dbraw/zinc/28/67/16/631286716.db2.gz IDGDAVMSRPWHOB-KOLCDFICSA-N 0 1 296.298 2.117 20 5 CEBDMN O=C(N[C@@H]1C[C@H]2CCC[C@@H]21)c1cc(O)cc([N+](=O)[O-])c1 ZINC000889595998 632300779 /nfs/dbraw/zinc/30/07/79/632300779.db2.gz DVTDQXWSXQCLHV-OXHMUOHRSA-N 0 1 276.292 2.219 20 5 CEBDMN O=C(Oc1ccc2c(c1)CCCO2)c1ccc([N+](=O)[O-])[nH]1 ZINC000810994812 632320374 /nfs/dbraw/zinc/32/03/74/632320374.db2.gz UCQQPPWCEOWSKE-UHFFFAOYSA-N 0 1 288.259 2.467 20 5 CEBDMN CCCOc1ccc(CNCC[N+](=O)[O-])c(C)c1 ZINC000905227586 635872608 /nfs/dbraw/zinc/87/26/08/635872608.db2.gz BTMIJWULRWGHSG-UHFFFAOYSA-N 0 1 252.314 2.150 20 5 CEBDMN CC[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])CCC(=O)[O-] ZINC000901605032 634208643 /nfs/dbraw/zinc/20/86/43/634208643.db2.gz JUQDWFLMYSKSHW-FNORWQNLSA-N 0 1 278.308 2.405 20 5 CEBDMN CCC[C@@H](C(=O)[O-])[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000903962314 635371820 /nfs/dbraw/zinc/37/18/20/635371820.db2.gz FCCQEMIWYCQNMU-ZDUSSCGKSA-N 0 1 278.308 2.206 20 5 CEBDMN O=[N+]([O-])c1ccc(N2CCC(NC(CF)CF)CC2)cc1 ZINC000824554650 635450124 /nfs/dbraw/zinc/45/01/24/635450124.db2.gz JOWMJFZKUWEIEM-UHFFFAOYSA-N 0 1 299.321 2.461 20 5 CEBDMN O=[N+]([O-])CCNC[C@@H](c1ccccc1)C(F)(F)F ZINC000905215880 636164059 /nfs/dbraw/zinc/16/40/59/636164059.db2.gz AWGRHCJHTYTEQA-JTQLQIEISA-N 0 1 262.231 2.199 20 5 CEBDMN O=[N+]([O-])CCN[C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000905244631 636169754 /nfs/dbraw/zinc/16/97/54/636169754.db2.gz QUNURGNEPPNZDG-GMSGAONNSA-N 0 1 258.680 2.201 20 5 CEBDMN O=[N+]([O-])c1ccc(-c2cnc([C@H]3CCCCN3)nc2)cn1 ZINC000906170784 636633019 /nfs/dbraw/zinc/63/30/19/636633019.db2.gz JOGFYUOLVVXGGH-GFCCVEGCSA-N 0 1 285.307 2.261 20 5 CEBDMN Cc1cc(F)ccc1[C@H](C)OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000906359289 636716243 /nfs/dbraw/zinc/71/62/43/636716243.db2.gz ZEKVEFBTCJJWJP-XXILOJSOSA-N 0 1 267.256 2.404 20 5 CEBDMN CC(C)(CCC(=O)Nc1nc2ccc(F)cc2[nH]1)[N+](=O)[O-] ZINC000830696168 637131237 /nfs/dbraw/zinc/13/12/37/637131237.db2.gz BNSIMQSFNNSTQV-UHFFFAOYSA-N 0 1 294.286 2.476 20 5 CEBDMN O=C(CC[C@@H]1CCOC1)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837568700 639287123 /nfs/dbraw/zinc/28/71/23/639287123.db2.gz WWUNSVGEBMUMHY-SNVBAGLBSA-N 0 1 295.291 2.160 20 5 CEBDMN O=C(OCc1cc(O)ccc1[N+](=O)[O-])[C@H]1CCSC1 ZINC000837578893 639291883 /nfs/dbraw/zinc/29/18/83/639291883.db2.gz SFSHKTZVFQVLEY-QMMMGPOBSA-N 0 1 283.305 2.097 20 5 CEBDMN CC[C@H](SC)C(=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837589361 639297442 /nfs/dbraw/zinc/29/74/42/639297442.db2.gz RCORTPJBETZIRX-NSHDSACASA-N 0 1 285.321 2.485 20 5 CEBDMN CC[C@H](C(=O)[O-])[N@@H+](C)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000044623466 639347526 /nfs/dbraw/zinc/34/75/26/639347526.db2.gz WMWTXASFPGEVCB-SNVBAGLBSA-N 0 1 270.260 2.029 20 5 CEBDMN O=C(Oc1cccc2c1CCCC2)[C@@H]1CC1[N+](=O)[O-] ZINC000841136551 639688593 /nfs/dbraw/zinc/68/85/93/639688593.db2.gz VDSKLGPKOBMQSH-VXGBXAGGSA-N 0 1 261.277 2.136 20 5 CEBDMN O=[N+]([O-])c1cc(Cl)ccc1COCCc1c[nH]nn1 ZINC000842066529 639938485 /nfs/dbraw/zinc/93/84/85/639938485.db2.gz HFBKTWDJKWLLPG-UHFFFAOYSA-N 0 1 282.687 2.126 20 5 CEBDMN CC(C)(C)O[C@@H]1C[C@@H](OC(=O)[C@@H]2CC2[N+](=O)[O-])C12CCC2 ZINC000842379240 640036480 /nfs/dbraw/zinc/03/64/80/640036480.db2.gz IUUUOODHOIUFMT-DDHJBXDOSA-N 0 1 297.351 2.321 20 5 CEBDMN Cc1nn(CN2CC[C@@H]3CCCC[C@@H]32)cc1[N+](=O)[O-] ZINC000842619306 640122150 /nfs/dbraw/zinc/12/21/50/640122150.db2.gz XIAWTCDVQDVQCB-RYUDHWBXSA-N 0 1 264.329 2.322 20 5 CEBDMN O=C(OCCc1nsc2ccccc12)[C@@H]1CC1[N+](=O)[O-] ZINC000845879843 641118168 /nfs/dbraw/zinc/11/81/68/641118168.db2.gz SFXNCIGTQNCAQT-MWLCHTKSSA-N 0 1 292.316 2.047 20 5 CEBDMN Cc1cc(CC(=O)O[C@H](C)c2ccccc2[N+](=O)[O-])n[nH]1 ZINC000756243765 642550441 /nfs/dbraw/zinc/55/04/41/642550441.db2.gz MWFALZNZTHANRC-SNVBAGLBSA-N 0 1 289.291 2.473 20 5 CEBDMN O=[N+]([O-])c1cc2c(cc1CN[C@@H]1C=CCC1)OCCO2 ZINC000850358802 642682520 /nfs/dbraw/zinc/68/25/20/642682520.db2.gz WUTRQQIGRCJYNC-LLVKDONJSA-N 0 1 276.292 2.174 20 5 CEBDMN CO[C@@H](COC(=O)c1ccc([N+](=O)[O-])[nH]1)C1CCCC1 ZINC000851435562 643014675 /nfs/dbraw/zinc/01/46/75/643014675.db2.gz YEKOJTADCGJUDO-NSHDSACASA-N 0 1 282.296 2.285 20 5 CEBDMN O=[N+]([O-])c1ccc2c(cnn2CN2CC[C@@H]3C[C@@H]3C2)c1 ZINC000853579718 643820492 /nfs/dbraw/zinc/82/04/92/643820492.db2.gz MNNMDJBSOPPMJJ-ZYHUDNBSSA-N 0 1 272.308 2.244 20 5 CEBDMN O=[N+]([O-])c1ccc2cnn(CN3CC[C@H]4C[C@H]4C3)c2c1 ZINC000853580950 643821397 /nfs/dbraw/zinc/82/13/97/643821397.db2.gz QYXBQPULICJANT-JQWIXIFHSA-N 0 1 272.308 2.244 20 5 CEBDMN O=[N+]([O-])c1ccc([O-])cc1C[N@H+]1CC[C@@H]2CSC[C@@H]2C1 ZINC000877742028 650885455 /nfs/dbraw/zinc/88/54/55/650885455.db2.gz XGSAPHVHHLREIX-PWSUYJOCSA-N 0 1 294.376 2.485 20 5 CEBDMN CCC[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccccc1 ZINC000839467371 644237141 /nfs/dbraw/zinc/23/71/41/644237141.db2.gz SBSNZCDSPKXJNZ-JHJVBQTASA-N 0 1 262.309 2.309 20 5 CEBDMN C[C@H](c1cc(F)ccc1F)N(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839511155 644245530 /nfs/dbraw/zinc/24/55/30/644245530.db2.gz SPVYRCGZPHDGCJ-NYRNMGCKSA-N 0 1 284.262 2.149 20 5 CEBDMN CCc1nc(COC(=O)c2cc([N+](=O)[O-])c(C)s2)n[nH]1 ZINC000754775911 644428124 /nfs/dbraw/zinc/42/81/24/644428124.db2.gz WTQKUXBHBGBRLG-UHFFFAOYSA-N 0 1 296.308 2.002 20 5 CEBDMN CC[C@@H](C)Oc1ccc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 ZINC000839572536 644746412 /nfs/dbraw/zinc/74/64/12/644746412.db2.gz GOXWGPGCAYTDAO-OASPWFOLSA-N 0 1 278.308 2.468 20 5 CEBDMN CCC[C@@H]1[C@@H](C)CCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839692860 644775587 /nfs/dbraw/zinc/77/55/87/644775587.db2.gz YBVWBNFASNUGDF-IRCOFANPSA-N 0 1 254.330 2.079 20 5 CEBDMN CCC[C@@H](C)[C@H]1CCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839707104 644787763 /nfs/dbraw/zinc/78/77/63/644787763.db2.gz SAGWDFVJJJERFS-DDHJBXDOSA-N 0 1 254.330 2.079 20 5 CEBDMN Cc1ccc(SC[C@H](C)NC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC000839727838 644794129 /nfs/dbraw/zinc/79/41/29/644794129.db2.gz FSPFPVQSLALYFS-CYZMBNFOSA-N 0 1 294.376 2.257 20 5 CEBDMN C[C@@H](CC1CCCCC1)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839746317 644803417 /nfs/dbraw/zinc/80/34/17/644803417.db2.gz VBGPRAZMGYITBS-MVWJERBFSA-N 0 1 254.330 2.127 20 5 CEBDMN O=C(NC[C@H]1CCC[C@H]1c1ccccc1)[C@@H]1CC1[N+](=O)[O-] ZINC000839781224 644815302 /nfs/dbraw/zinc/81/53/02/644815302.db2.gz JTVCUYHTXFVJEI-LXTVHRRPSA-N 0 1 288.347 2.352 20 5 CEBDMN CCN(CCOC)Cn1nc(C)c2ccc([N+](=O)[O-])cc21 ZINC000761288004 645265038 /nfs/dbraw/zinc/26/50/38/645265038.db2.gz HVQZYMMAXYPQAG-UHFFFAOYSA-N 0 1 292.339 2.179 20 5 CEBDMN CCc1cc(CNc2ncc([N+](=O)[O-])cc2C)n[nH]1 ZINC000771204437 646500447 /nfs/dbraw/zinc/50/04/47/646500447.db2.gz MFOXVVNKYFXIEQ-UHFFFAOYSA-N 0 1 261.285 2.196 20 5 CEBDMN Cc1[nH]ncc1C(=O)N1CCc2cc(C)c([N+](=O)[O-])cc21 ZINC000773998709 646794346 /nfs/dbraw/zinc/79/43/46/646794346.db2.gz ZCSNZDJASAPNJZ-UHFFFAOYSA-N 0 1 286.291 2.138 20 5 CEBDMN CN(Cc1ccco1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776271633 647044731 /nfs/dbraw/zinc/04/47/31/647044731.db2.gz MONSUUDCMPLPDF-AWEZNQCLSA-N 0 1 276.292 2.353 20 5 CEBDMN CCO[C@H]1COCC[C@@H]1NCc1cc(F)ccc1[N+](=O)[O-] ZINC000776485678 647065940 /nfs/dbraw/zinc/06/59/40/647065940.db2.gz UNTROEQIRSODBG-JSGCOSHPSA-N 0 1 298.314 2.018 20 5 CEBDMN CCC1(COC(=O)c2ccc([N+](=O)[O-])[nH]2)CCOCC1 ZINC000780635192 647453355 /nfs/dbraw/zinc/45/33/55/647453355.db2.gz AJFXVLKDOBBHIP-UHFFFAOYSA-N 0 1 282.296 2.287 20 5 CEBDMN CCC[C@@H](CC)NC(=O)[C@@](C)(N)c1cccc([N+](=O)[O-])c1 ZINC000867943500 647996139 /nfs/dbraw/zinc/99/61/39/647996139.db2.gz XLGARVIFPWTFBI-DOMZBBRYSA-N 0 1 293.367 2.464 20 5 CEBDMN CN1CCN(Cc2cc(F)ccc2[N+](=O)[O-])CC1(C)C ZINC000787677678 648127401 /nfs/dbraw/zinc/12/74/01/648127401.db2.gz ZPJCBCUBAIAEQH-UHFFFAOYSA-N 0 1 281.331 2.260 20 5 CEBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@@H](C2CCC2)CC1 ZINC000871222176 649038571 /nfs/dbraw/zinc/03/85/71/649038571.db2.gz FITBOXQYEOVNQT-JHJVBQTASA-N 0 1 266.341 2.080 20 5 CEBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@](F)(c2ccccc2)C1 ZINC000871368939 649072331 /nfs/dbraw/zinc/07/23/31/649072331.db2.gz APVSWOVYZOIJGH-UMVBOHGHSA-N 0 1 292.310 2.139 20 5 CEBDMN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N[C@H]1CCCN(C)C1 ZINC000874389973 649767972 /nfs/dbraw/zinc/76/79/72/649767972.db2.gz VHZZZLNOFPQXAH-LBPRGKRZSA-N 0 1 291.351 2.036 20 5 CEBDMN CCN1CC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000882494170 652107447 /nfs/dbraw/zinc/10/74/47/652107447.db2.gz OAYYMQCOFZAXQC-GFCCVEGCSA-N 0 1 291.351 2.036 20 5 CEBDMN Cc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H](C)N[C@H](C)C2)c1C ZINC000884030032 652640950 /nfs/dbraw/zinc/64/09/50/652640950.db2.gz DHUKJGDZBXVTKT-GHMZBOCLSA-N 0 1 291.351 2.034 20 5 CEBDMN C[C@@H]1CN(C)[C@@H](C)CN1c1ncc(Cl)cc1[N+](=O)[O-] ZINC000408067842 719153714 /nfs/dbraw/zinc/15/37/14/719153714.db2.gz PIKFZQZMMHWWNW-DTWKUNHWSA-N 0 1 284.747 2.172 20 5 CEBDMN C[C@H]1CN(c2nccc(Cl)c2[N+](=O)[O-])[C@@H](C)CN1C ZINC001164629721 719153845 /nfs/dbraw/zinc/15/38/45/719153845.db2.gz CNQMOMVTCRJYPV-IUCAKERBSA-N 0 1 284.747 2.172 20 5 CEBDMN C[C@@H]1CN(c2cc(Cl)cc([N+](=O)[O-])n2)[C@@H](C)CN1C ZINC001164640141 719184506 /nfs/dbraw/zinc/18/45/06/719184506.db2.gz UTRZOMCMHMWUJW-BDAKNGLRSA-N 0 1 284.747 2.172 20 5 CEBDMN C[C@@H]1C[N@@H+](Cc2csc([N+](=O)[O-])c2)C[C@H]1CC(=O)[O-] ZINC000722620077 802377412 /nfs/dbraw/zinc/37/74/12/802377412.db2.gz BAKBQIYWWNSMTM-PSASIEDQSA-N 0 1 284.337 2.199 20 5 CEBDMN C[C@@H]1OCC[C@]1(C)NCc1cc(F)ccc1[N+](=O)[O-] ZINC000300423090 804772017 /nfs/dbraw/zinc/77/20/17/804772017.db2.gz NXAMTIWLQZOUON-ZANVPECISA-N 0 1 268.288 2.391 20 5 CEBDMN C[C@@H]1COC[C@H]1NCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000699789817 807845957 /nfs/dbraw/zinc/84/59/57/807845957.db2.gz QWEXXLJWERSWEE-LDYMZIIASA-N 0 1 270.716 2.373 20 5 CEBDMN Cc1cnc(CN)n1-c1nccc2c1cccc2[N+](=O)[O-] ZINC001169021019 811351825 /nfs/dbraw/zinc/35/18/25/811351825.db2.gz VVGPNGXSGHCQTE-UHFFFAOYSA-N 0 1 283.291 2.096 20 5 CEBDMN CC[C@](N)(CO)Nc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001170865703 813566000 /nfs/dbraw/zinc/56/60/00/813566000.db2.gz PTSUTTWGAJEWGG-SNVBAGLBSA-N 0 1 293.245 2.083 20 5 CEBDMN C[C@@H](Cc1ccccc1[N+](=O)[O-])N[C@@H](C)c1nncn1C ZINC000449126919 282110321 /nfs/dbraw/zinc/11/03/21/282110321.db2.gz NUAUPYDDLQYLOJ-QWRGUYRKSA-N 0 1 289.339 2.005 20 5 CEBDMN Cc1[nH]ncc1CNC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000337532616 214141841 /nfs/dbraw/zinc/14/18/41/214141841.db2.gz FUXYGQPXCKGBBR-UHFFFAOYSA-N 0 1 289.295 2.256 20 5 CEBDMN CC(C)c1[nH]nc(C(=O)N(C)CCC2CC2)c1[N+](=O)[O-] ZINC000269583595 190515762 /nfs/dbraw/zinc/51/57/62/190515762.db2.gz HSTUJVVAPSGBIK-UHFFFAOYSA-N 0 1 280.328 2.313 20 5 CEBDMN CC[C@H](C)[N@@H+](CC(=O)[O-])Cc1cc([N+](=O)[O-])ccc1OC ZINC000037599283 361909920 /nfs/dbraw/zinc/90/99/20/361909920.db2.gz BMROCUXCRAGDGV-JTQLQIEISA-N 0 1 296.323 2.289 20 5 CEBDMN Cc1ccc(N2CCN(C(C)C)CC2)c([N+](=O)[O-])c1 ZINC000080552809 344013808 /nfs/dbraw/zinc/01/38/08/344013808.db2.gz VBVCIGDXVQNRPL-UHFFFAOYSA-N 0 1 263.341 2.434 20 5 CEBDMN COc1cc([N+](=O)[O-])ccc1-n1[nH]c2c(c1=O)[C@H](C)CC2 ZINC000601934490 346930926 /nfs/dbraw/zinc/93/09/26/346930926.db2.gz BMOVZDLGRQSZNY-OQPBUACISA-N 0 1 289.291 2.352 20 5 CEBDMN CCc1[nH]n(-c2ccc([N+](=O)[O-])cc2OC)c(=O)c1C ZINC000601935350 346931645 /nfs/dbraw/zinc/93/16/45/346931645.db2.gz IORWCDUZYCGAMG-MRVPVSSYSA-N 0 1 277.280 2.352 20 5 CEBDMN Cc1[nH]n(-c2ccc([N+](=O)[O-])cc2F)c(=O)c1C1CC1 ZINC000601937510 346933119 /nfs/dbraw/zinc/93/31/19/346933119.db2.gz BMAGSKHYZIFUJG-LBPRGKRZSA-N 0 1 277.255 2.483 20 5 CEBDMN COCCN(Cc1ccc(OC)c([N+](=O)[O-])c1)C1CC1 ZINC000048022993 343524909 /nfs/dbraw/zinc/52/49/09/343524909.db2.gz KZKSWMUPKBNBME-UHFFFAOYSA-N 0 1 280.324 2.214 20 5 CEBDMN Cc1ccc2[nH]c3c(c2c1)CN(C(=O)[C@H]1CC1[N+](=O)[O-])CC3 ZINC000052531787 343562485 /nfs/dbraw/zinc/56/24/85/343562485.db2.gz LTXQTEKNIJOLCR-XHDPSFHLSA-N 0 1 299.330 2.026 20 5 CEBDMN Cc1cnc(-c2cccc(NC(=O)[C@H]3C[C@@H]3[N+](=O)[O-])c2)o1 ZINC000066809173 343722329 /nfs/dbraw/zinc/72/23/29/343722329.db2.gz QNFCKVTZSWUZCV-RYUDHWBXSA-N 0 1 287.275 2.254 20 5 CEBDMN CC(=O)N(C)C1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000068576393 343768889 /nfs/dbraw/zinc/76/88/89/343768889.db2.gz QIKQRNZHBNSRQB-UHFFFAOYSA-N 0 1 291.351 2.038 20 5 CEBDMN Cc1[nH]ncc1CN(C)C(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000602169083 346986851 /nfs/dbraw/zinc/98/68/51/346986851.db2.gz XUBKBMSBPPWUOB-UHFFFAOYSA-N 0 1 288.307 2.207 20 5 CEBDMN O=C([C@H]1CC1[N+](=O)[O-])N1CCC(c2ccc(F)cc2)CC1 ZINC000081681206 344062247 /nfs/dbraw/zinc/06/22/47/344062247.db2.gz KJRGCURFZCFVKR-KBPBESRZSA-N 0 1 292.310 2.197 20 5 CEBDMN Cc1ccc([N+](=O)[O-])c(N2CCN(CC3CC3)CC2)c1 ZINC000088701764 344113063 /nfs/dbraw/zinc/11/30/63/344113063.db2.gz GNLFRJCFBRWIFW-UHFFFAOYSA-N 0 1 275.352 2.435 20 5 CEBDMN CN(CCCOc1ccc([N+](=O)[O-])cc1)Cc1cn[nH]c1 ZINC000085825651 344097443 /nfs/dbraw/zinc/09/74/43/344097443.db2.gz IBOXJTFLWNAALS-UHFFFAOYSA-N 0 1 290.323 2.219 20 5 CEBDMN O=[N+]([O-])c1ccc(O)cc1CN1CCO[C@@H]2CCCC[C@@H]21 ZINC000091978625 344174755 /nfs/dbraw/zinc/17/47/55/344174755.db2.gz NMDOZKDVFYKFCM-LSDHHAIUSA-N 0 1 292.335 2.444 20 5 CEBDMN C[C@@H](NCCOc1ccc([N+](=O)[O-])cc1)c1cnccn1 ZINC000089580857 344124631 /nfs/dbraw/zinc/12/46/31/344124631.db2.gz KUCLXYQVNAMSRY-LLVKDONJSA-N 0 1 288.307 2.114 20 5 CEBDMN O=[N+]([O-])c1ccc(CN[C@H]2c3ccccc3C[C@@H]2O)cc1 ZINC000119148252 344293679 /nfs/dbraw/zinc/29/36/79/344293679.db2.gz TUNLPDUYFABLGH-HOTGVXAUSA-N 0 1 284.315 2.343 20 5 CEBDMN CC1(C)[C@H](NCc2c(Cl)cccc2[N+](=O)[O-])C[C@@H]1O ZINC000128451096 344336904 /nfs/dbraw/zinc/33/69/04/344336904.db2.gz GIMIIEFIDHRQQX-NEPJUHHUSA-N 0 1 284.743 2.497 20 5 CEBDMN C[C@H]1CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)[C@@H](C(=O)[O-])C1 ZINC000229308832 344565740 /nfs/dbraw/zinc/56/57/40/344565740.db2.gz WKTHZVVHQYQAMN-SMDDNHRTSA-N 0 1 292.335 2.322 20 5 CEBDMN COc1ccc(CN2CCC(CCO)CC2)cc1[N+](=O)[O-] ZINC000400913444 344864296 /nfs/dbraw/zinc/86/42/96/344864296.db2.gz GIHVYFRWNCSNKA-UHFFFAOYSA-N 0 1 294.351 2.198 20 5 CEBDMN Cc1cc(CNc2ncnc3sc([N+](=O)[O-])cc32)n[nH]1 ZINC000587978318 345032431 /nfs/dbraw/zinc/03/24/31/345032431.db2.gz NMAYCFNCJFBHLF-UHFFFAOYSA-N 0 1 290.308 2.243 20 5 CEBDMN CC[C@@H]1CN(C)CCN1Cc1c(F)cccc1[N+](=O)[O-] ZINC000591850153 345288136 /nfs/dbraw/zinc/28/81/36/345288136.db2.gz WBYCRMGLTPKIQX-LLVKDONJSA-N 0 1 281.331 2.260 20 5 CEBDMN CCC[C@@H](C(=O)[O-])[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000593736310 345529473 /nfs/dbraw/zinc/52/94/73/345529473.db2.gz BIMMDJIQPBBMSW-ZDUSSCGKSA-N 0 1 278.308 2.206 20 5 CEBDMN C[N@H+](Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-])CC1CC1 ZINC000593740975 345530796 /nfs/dbraw/zinc/53/07/96/345530796.db2.gz YEJKMDXKOAUIMV-UHFFFAOYSA-N 0 1 264.281 2.135 20 5 CEBDMN O=C(NC1(C2CCC2)CC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000593835870 345544375 /nfs/dbraw/zinc/54/43/75/345544375.db2.gz QJXODRPTKMGANA-UHFFFAOYSA-N 0 1 276.292 2.363 20 5 CEBDMN Cc1cc(CN[C@H]2CCc3c2cccc3[N+](=O)[O-])[nH]n1 ZINC000594495232 345638110 /nfs/dbraw/zinc/63/81/10/345638110.db2.gz OIPGCEBEDYZFTM-ZDUSSCGKSA-N 0 1 272.308 2.403 20 5 CEBDMN Cc1cc(CN[C@H]2CCc3c2cccc3[N+](=O)[O-])n[nH]1 ZINC000594495232 345638113 /nfs/dbraw/zinc/63/81/13/345638113.db2.gz OIPGCEBEDYZFTM-ZDUSSCGKSA-N 0 1 272.308 2.403 20 5 CEBDMN O=[N+]([O-])c1cc(CN[C@H]2C[C@H](O)C23CCC3)cs1 ZINC000594990335 345722747 /nfs/dbraw/zinc/72/27/47/345722747.db2.gz XDEJZDRLMYPCKA-UWVGGRQHSA-N 0 1 268.338 2.049 20 5 CEBDMN CCOCCN[C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595012489 345726995 /nfs/dbraw/zinc/72/69/95/345726995.db2.gz OVPGVNHIQWICAH-JTQLQIEISA-N 0 1 268.313 2.291 20 5 CEBDMN COc1cc([N+](=O)[O-])ccc1[C@@H](C)N[C@@H]1C=C[C@H](CO)C1 ZINC000595023222 345729826 /nfs/dbraw/zinc/72/98/26/345729826.db2.gz XYDBOCKCIRYBJY-GRYCIOLGSA-N 0 1 292.335 2.191 20 5 CEBDMN CN(Cc1cnc[nH]1)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595591188 345819861 /nfs/dbraw/zinc/81/98/61/345819861.db2.gz GDKLPUZKRJLREA-UHFFFAOYSA-N 0 1 264.260 2.089 20 5 CEBDMN Cc1noc(CN2CC[C@@H](c3ccco3)C2)c1[N+](=O)[O-] ZINC000595319016 345761576 /nfs/dbraw/zinc/76/15/76/345761576.db2.gz XZNVOQMXBYFJHX-SNVBAGLBSA-N 0 1 277.280 2.474 20 5 CEBDMN Cc1noc(CN2CCC[C@@]2(C)CCCO)c1[N+](=O)[O-] ZINC000595408093 345776177 /nfs/dbraw/zinc/77/61/77/345776177.db2.gz MCIOWLXNZBLTIX-ZDUSSCGKSA-N 0 1 283.328 2.018 20 5 CEBDMN COC[C@@H](NCc1ccc(F)cc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000595467539 345790291 /nfs/dbraw/zinc/79/02/91/345790291.db2.gz MVXRQXZJTSVNOV-TZMCWYRMSA-N 0 1 298.314 2.018 20 5 CEBDMN CO[C@]1(CO)CCCN([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000595664557 345841828 /nfs/dbraw/zinc/84/18/28/345841828.db2.gz ZXLGOGXJHYOSIU-IUODEOHRSA-N 0 1 294.351 2.129 20 5 CEBDMN C[C@@H](CO)[C@@H]1CCCC[N@H+]1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000595674588 345845353 /nfs/dbraw/zinc/84/53/53/345845353.db2.gz LUKAVKWFWKPAAY-FZMZJTMJSA-N 0 1 294.351 2.283 20 5 CEBDMN COc1ccc([N+](=O)[O-])cc1CN1C[C@H]2COC[C@]2(C)C1 ZINC000595756758 345868235 /nfs/dbraw/zinc/86/82/35/345868235.db2.gz WNUWSCGZRHVVPR-WFASDCNBSA-N 0 1 292.335 2.072 20 5 CEBDMN COc1cc(CN2C[C@H](C)[C@@](C)(CO)C2)ccc1[N+](=O)[O-] ZINC000595873713 345904046 /nfs/dbraw/zinc/90/40/46/345904046.db2.gz MPLAIGSQGVNJEO-XHDPSFHLSA-N 0 1 294.351 2.054 20 5 CEBDMN COc1cc(N[C@H]2CCN(C3CC3)C2)c([N+](=O)[O-])cc1F ZINC000596090933 345938008 /nfs/dbraw/zinc/93/80/08/345938008.db2.gz SCEWYWUYGPONAG-VIFPVBQESA-N 0 1 295.314 2.391 20 5 CEBDMN Cc1cc(N(C)CC2CN(C)C2)c(F)cc1[N+](=O)[O-] ZINC000596452072 346027723 /nfs/dbraw/zinc/02/77/23/346027723.db2.gz AWPGTVLSLGGRET-UHFFFAOYSA-N 0 1 267.304 2.040 20 5 CEBDMN CC[C@@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)C1CC1 ZINC000598235008 346312979 /nfs/dbraw/zinc/31/29/79/346312979.db2.gz VKHYRTATIVSPRH-GFCCVEGCSA-N 0 1 264.281 2.219 20 5 CEBDMN C[C@H]1CNCCN1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000598915162 346433418 /nfs/dbraw/zinc/43/34/18/346433418.db2.gz JALFEVSRQMKMAG-QMMMGPOBSA-N 0 1 298.730 2.074 20 5 CEBDMN C[C@H]1CC[C@@]2(CCN(Cc3cn(C)nc3[N+](=O)[O-])C2)C1 ZINC000602596137 347093047 /nfs/dbraw/zinc/09/30/47/347093047.db2.gz HOJVBYFLNDGTTA-SMDDNHRTSA-N 0 1 278.356 2.340 20 5 CEBDMN C[C@@H]1CC[C@@]2(CCN(Cc3cn(C)nc3[N+](=O)[O-])C2)C1 ZINC000602596134 347093077 /nfs/dbraw/zinc/09/30/77/347093077.db2.gz HOJVBYFLNDGTTA-BXUZGUMPSA-N 0 1 278.356 2.340 20 5 CEBDMN C[C@H](O)CN(C)Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602607043 347098234 /nfs/dbraw/zinc/09/82/34/347098234.db2.gz FTHSFEZSAGDHRU-QMMMGPOBSA-N 0 1 292.257 2.426 20 5 CEBDMN CN(Cc1cn(C)nc1[N+](=O)[O-])C[C@@H]1CC=CCC1 ZINC000602606328 347097600 /nfs/dbraw/zinc/09/76/00/347097600.db2.gz BYPHAHXQSHYXEZ-LLVKDONJSA-N 0 1 264.329 2.116 20 5 CEBDMN O=[N+]([O-])c1cc(CN2CC[C@@H]3CC[C@@H](O)[C@@H]32)cs1 ZINC000599680909 346563306 /nfs/dbraw/zinc/56/33/06/346563306.db2.gz JPTJWNPVUITJGG-HOSYDEDBSA-N 0 1 268.338 2.002 20 5 CEBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N(C1CC1)C1CC1 ZINC000600358708 346635540 /nfs/dbraw/zinc/63/55/40/346635540.db2.gz GEIIGSIIQKYYQP-UHFFFAOYSA-N 0 1 286.291 2.238 20 5 CEBDMN O=[N+]([O-])c1ccc2oc(CN[C@H]3CC34CC4)nc2c1 ZINC000602696252 347152557 /nfs/dbraw/zinc/15/25/57/347152557.db2.gz XGDQMLTVNWYKIK-NSHDSACASA-N 0 1 259.265 2.378 20 5 CEBDMN Cn1cc(CN2CCC(C3CCC3)CC2)c([N+](=O)[O-])n1 ZINC000602711680 347164823 /nfs/dbraw/zinc/16/48/23/347164823.db2.gz VEHKWHBROBOZHW-UHFFFAOYSA-N 0 1 278.356 2.340 20 5 CEBDMN Cc1n[nH]cc1CN(C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000602940218 347252392 /nfs/dbraw/zinc/25/23/92/347252392.db2.gz XDKRXGNSUOJZED-UHFFFAOYSA-N 0 1 290.323 2.137 20 5 CEBDMN CC[C@]1(O)CCCN(Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000602983125 347265954 /nfs/dbraw/zinc/26/59/54/347265954.db2.gz CCASVEWVIQUPLX-HNNXBMFYSA-N 0 1 294.351 2.340 20 5 CEBDMN CC[C@H](CN1CCCC1)NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000609876496 347654340 /nfs/dbraw/zinc/65/43/40/347654340.db2.gz AZDYFGVPXWCSJJ-SNVBAGLBSA-N 0 1 297.380 2.261 20 5 CEBDMN O=[N+]([O-])c1ccccc1/C=C\CN1C[C@@H](O)C2(CC2)C1 ZINC000614656483 348226192 /nfs/dbraw/zinc/22/61/92/348226192.db2.gz CZGPROTXHPPWFS-PKXJPQMGSA-N 0 1 274.320 2.065 20 5 CEBDMN C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[C@@H](n2cncn2)C1 ZINC000614419970 348197524 /nfs/dbraw/zinc/19/75/24/348197524.db2.gz KBJPILPUZAADDN-NWDGAFQWSA-N 0 1 287.323 2.194 20 5 CEBDMN CC(C)[C@@H]1CN(c2ccsc2[N+](=O)[O-])CCN1C ZINC000617000656 348604654 /nfs/dbraw/zinc/60/46/54/348604654.db2.gz BQRMJWASBAVEDG-NSHDSACASA-N 0 1 269.370 2.433 20 5 CEBDMN C[C@H]1OCC[C@@]1(C)NCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000617252624 348658360 /nfs/dbraw/zinc/65/83/60/348658360.db2.gz WPJOWUZQGSGUCV-YMTOWFKASA-N 0 1 291.307 2.393 20 5 CEBDMN CC(C)(NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)C(F)F ZINC000619422087 349176255 /nfs/dbraw/zinc/17/62/55/349176255.db2.gz XENNXBGGJKECNB-UHFFFAOYSA-N 0 1 298.249 2.245 20 5 CEBDMN CCCc1[nH]nc(C(=O)N2C[C@H](C)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000068392657 362940076 /nfs/dbraw/zinc/94/00/76/362940076.db2.gz QMDBKGNTXATJHO-NXEZZACHSA-N 0 1 294.355 2.389 20 5 CEBDMN COc1cc([N+](=O)[O-])ccc1CN1CCC[C@@H](CO)[C@@H]1C ZINC000412095723 233338852 /nfs/dbraw/zinc/33/88/52/233338852.db2.gz TYHRPOSGXRYLRP-AAEUAGOBSA-N 0 1 294.351 2.196 20 5 CEBDMN COc1ccc(CN2CCC[C@@H](CO)[C@H]2C)cc1[N+](=O)[O-] ZINC000412100333 233339916 /nfs/dbraw/zinc/33/99/16/233339916.db2.gz XMYUBJCMBGRIGL-YPMHNXCESA-N 0 1 294.351 2.196 20 5 CEBDMN C[C@H](C[NH2+]Cc1csc([N+](=O)[O-])c1)N(C)C1CC1 ZINC000105488324 186060949 /nfs/dbraw/zinc/06/09/49/186060949.db2.gz GAXVQPQYHJRZIN-SECBINFHSA-N 0 1 269.370 2.229 20 5 CEBDMN CCN[C@@H](C)c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000109504639 186257206 /nfs/dbraw/zinc/25/72/06/186257206.db2.gz UJCDDKFQEBBWIW-QMMMGPOBSA-N 0 1 262.269 2.315 20 5 CEBDMN C[C@@H]1CC[N@@H+](Cc2csc([N+](=O)[O-])c2)C[C@@H]1C(=O)[O-] ZINC000569120527 299182527 /nfs/dbraw/zinc/18/25/27/299182527.db2.gz XYKHOVBCHBLNBT-SCZZXKLOSA-N 0 1 284.337 2.199 20 5 CEBDMN CCC1(C)CN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000291961393 198117624 /nfs/dbraw/zinc/11/76/24/198117624.db2.gz RHOYJRAHSMEABI-LBPRGKRZSA-N 0 1 294.351 2.066 20 5 CEBDMN Cc1c(C(=O)N(C)[C@H]2CCCN(C)C2)cccc1[N+](=O)[O-] ZINC000153544552 188088667 /nfs/dbraw/zinc/08/86/67/188088667.db2.gz ZFAGNHSNXBKMQR-LBPRGKRZSA-N 0 1 291.351 2.069 20 5 CEBDMN Cc1cc(C(=O)N(C)[C@@H]2CCCN(C)C2)cc([N+](=O)[O-])c1 ZINC000153926784 188112871 /nfs/dbraw/zinc/11/28/71/188112871.db2.gz ICKUIRQHFVSYEA-CYBMUJFWSA-N 0 1 291.351 2.069 20 5 CEBDMN CC[C@@H](C(N)=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451550056 283031093 /nfs/dbraw/zinc/03/10/93/283031093.db2.gz QRKSKKNTFXHHDZ-JSGCOSHPSA-N 0 1 291.351 2.038 20 5 CEBDMN COc1cc([N+](=O)[O-])ccc1CN1CC[C@H](OC)[C@@H](C)C1 ZINC000451571057 283038134 /nfs/dbraw/zinc/03/81/34/283038134.db2.gz POCKYNBOLDCGKK-FZMZJTMJSA-N 0 1 294.351 2.460 20 5 CEBDMN Cc1cc(C[C@H](C)Nc2ncccc2[N+](=O)[O-])[nH]n1 ZINC000133491312 366229689 /nfs/dbraw/zinc/22/96/89/366229689.db2.gz WCQSMHULBMKCSH-QMMMGPOBSA-N 0 1 261.285 2.064 20 5 CEBDMN CCO[C@@H]1COC[C@H]1N[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000451947482 283149637 /nfs/dbraw/zinc/14/96/37/283149637.db2.gz PBMSKTMRKYFRIY-NILFDRSVSA-N 0 1 294.351 2.358 20 5 CEBDMN C[N@H+](Cc1ccco1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000136813897 366527583 /nfs/dbraw/zinc/52/75/83/366527583.db2.gz VKOIKCYSYUWASD-AWEZNQCLSA-N 0 1 276.292 2.353 20 5 CEBDMN CN(Cc1ccco1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000136813897 366527588 /nfs/dbraw/zinc/52/75/88/366527588.db2.gz VKOIKCYSYUWASD-AWEZNQCLSA-N 0 1 276.292 2.353 20 5 CEBDMN C[N@@H+](Cc1cc([O-])ccc1[N+](=O)[O-])[C@@H]1CCCC[C@H]1O ZINC000339100013 366654042 /nfs/dbraw/zinc/65/40/42/366654042.db2.gz SZDKDROVSDYLPU-ZIAGYGMSSA-N 0 1 280.324 2.036 20 5 CEBDMN C[N@@H+](Cc1cc([O-])ccc1[N+](=O)[O-])C1CCC(CO)CC1 ZINC000339043437 366627387 /nfs/dbraw/zinc/62/73/87/366627387.db2.gz OBWBNXFAGOOXTE-UHFFFAOYSA-N 0 1 294.351 2.283 20 5 CEBDMN Cc1[nH]nc(C(=O)N2Cc3ccccc3[C@@H]2C)c1[N+](=O)[O-] ZINC000341920577 216151695 /nfs/dbraw/zinc/15/16/95/216151695.db2.gz CWTGDPXGNYYELW-VIFPVBQESA-N 0 1 286.291 2.343 20 5 CEBDMN CCO[C@@H]1COC[C@H]1N[C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000453374241 283541330 /nfs/dbraw/zinc/54/13/30/283541330.db2.gz VZZITKWFPOBJPQ-RRFJBIMHSA-N 0 1 294.351 2.439 20 5 CEBDMN CCOC[C@H]1CCN(Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000081519784 363722491 /nfs/dbraw/zinc/72/24/91/363722491.db2.gz OHXVVVSACTVQRI-LBPRGKRZSA-N 0 1 294.351 2.462 20 5 CEBDMN CC[C@@H](N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)C(=O)NC ZINC000453405978 283557754 /nfs/dbraw/zinc/55/77/54/283557754.db2.gz OYHSGTDYQGIGRG-CMPLNLGQSA-N 0 1 279.340 2.078 20 5 CEBDMN CN(Cc1csc([N+](=O)[O-])c1)C[C@H]1CCOC1 ZINC000178360858 189109837 /nfs/dbraw/zinc/10/98/37/189109837.db2.gz OVOOOAXVMVFDDS-SECBINFHSA-N 0 1 256.327 2.125 20 5 CEBDMN CCN(CC)CC(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000001851494 361223553 /nfs/dbraw/zinc/22/35/53/361223553.db2.gz MVDXUJGLVDWFHT-UHFFFAOYSA-N 0 1 279.340 2.492 20 5 CEBDMN O=[N+]([O-])c1ccc([O-])cc1C[N@@H+]1CCC[C@@]12CCOC2 ZINC000339173583 366690079 /nfs/dbraw/zinc/69/00/79/366690079.db2.gz SKABDRPSQOMOHE-AWEZNQCLSA-N 0 1 278.308 2.055 20 5 CEBDMN O=[N+]([O-])c1ccc([O-])cc1C[N@H+]1CCC[C@@]12CCOC2 ZINC000339173583 366690083 /nfs/dbraw/zinc/69/00/83/366690083.db2.gz SKABDRPSQOMOHE-AWEZNQCLSA-N 0 1 278.308 2.055 20 5 CEBDMN C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)CCCC(=O)[O-] ZINC000083662513 363783120 /nfs/dbraw/zinc/78/31/20/363783120.db2.gz MQHCDTQTBGTUDG-SNVBAGLBSA-N 0 1 266.297 2.452 20 5 CEBDMN C[C@@H](c1ccco1)N(C)CCn1ccc([N+](=O)[O-])n1 ZINC000176220071 368214139 /nfs/dbraw/zinc/21/41/39/368214139.db2.gz JNGYZIZCAUKAJO-JTQLQIEISA-N 0 1 264.285 2.077 20 5 CEBDMN CC[C@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)C(F)(F)F ZINC000348060517 368881336 /nfs/dbraw/zinc/88/13/36/368881336.db2.gz BHNKAUWYJCRBHL-VIFPVBQESA-N 0 1 292.213 2.371 20 5 CEBDMN C[C@H](NCCc1ccc([N+](=O)[O-])cc1)c1ccon1 ZINC000349238863 369274324 /nfs/dbraw/zinc/27/43/24/369274324.db2.gz HJGDHOWHLVLSOH-JTQLQIEISA-N 0 1 261.281 2.476 20 5 CEBDMN Cc1[nH]nc(C(=O)N(C)C[C@H]2CC=CCC2)c1[N+](=O)[O-] ZINC000330821675 203277752 /nfs/dbraw/zinc/27/77/52/203277752.db2.gz NOWPRWZESSFARP-JTQLQIEISA-N 0 1 278.312 2.055 20 5 CEBDMN CCCc1[nH]nc(C(=O)N2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC000193323136 369926617 /nfs/dbraw/zinc/92/66/17/369926617.db2.gz UUXMRIAWPPKREE-SECBINFHSA-N 0 1 280.328 2.285 20 5 CEBDMN CCCN1CCN(c2c3c(ccc2[N+](=O)[O-])NCC3)CC1 ZINC000195212172 370115685 /nfs/dbraw/zinc/11/56/85/370115685.db2.gz ZSGPBIRSKOAKLB-UHFFFAOYSA-N 0 1 290.367 2.095 20 5 CEBDMN Cc1cc([N+](=O)[O-])ccc1NCCN1CCSCC1 ZINC000223245436 370262379 /nfs/dbraw/zinc/26/23/79/370262379.db2.gz LKJYOYMNZGPXRB-UHFFFAOYSA-N 0 1 281.381 2.364 20 5 CEBDMN NC1(c2noc(-c3ccc([N+](=O)[O-])s3)n2)CCCC1 ZINC000236176986 370584036 /nfs/dbraw/zinc/58/40/36/370584036.db2.gz LGYVLWXCKHGNBB-UHFFFAOYSA-N 0 1 280.309 2.434 20 5 CEBDMN C[C@H]1CCN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000248345686 371176853 /nfs/dbraw/zinc/17/68/53/371176853.db2.gz NBPZDCSCPSBVLU-RYUDHWBXSA-N 0 1 291.351 2.288 20 5 CEBDMN O=[N+]([O-])c1ccc(CN2C[C@@H]3CC[C@@H](O)[C@H]3C2)c(Cl)c1 ZINC000252880428 371486573 /nfs/dbraw/zinc/48/65/73/371486573.db2.gz SPOAWTOSWUHZQN-DUFXMDAXSA-N 0 1 296.754 2.451 20 5 CEBDMN C[C@H](C(=O)[O-])[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000262038391 371809070 /nfs/dbraw/zinc/80/90/70/371809070.db2.gz YEANMAJHXUMARV-SECBINFHSA-N 0 1 264.281 2.032 20 5 CEBDMN O=[N+]([O-])c1cc(O)cc(-c2nc(-c3cccnc3)no2)c1 ZINC000362697656 372492853 /nfs/dbraw/zinc/49/28/53/372492853.db2.gz CVQDFQAGYFQUHM-UHFFFAOYSA-N 0 1 284.231 2.412 20 5 CEBDMN C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)[C@H]1CC1[N+](=O)[O-] ZINC000364815828 372793895 /nfs/dbraw/zinc/79/38/95/372793895.db2.gz CHLDSWZFNBXMOZ-DGFQIJBJSA-N 0 1 292.310 2.195 20 5 CEBDMN O=C(N[C@@H]1CCCCC12CCCC2)[C@H]1CC1[N+](=O)[O-] ZINC000368289271 373230625 /nfs/dbraw/zinc/23/06/25/373230625.db2.gz XCGSWRFXMGAQCC-SDDRHHMPSA-N 0 1 266.341 2.271 20 5 CEBDMN O=C(N[C@@H]1CCCCC12CCCC2)[C@H]1CC1[N+](=O)[O-] ZINC000368289270 373230817 /nfs/dbraw/zinc/23/08/17/373230817.db2.gz XCGSWRFXMGAQCC-QJPTWQEYSA-N 0 1 266.341 2.271 20 5 CEBDMN O=C(NOC1CCCC1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000272053754 373284059 /nfs/dbraw/zinc/28/40/59/373284059.db2.gz AUBXNTKZVNHLLB-UHFFFAOYSA-N 0 1 290.279 2.075 20 5 CEBDMN O=C(N[C@@H](c1ccco1)c1ccccc1)[C@@H]1CC1[N+](=O)[O-] ZINC000377426175 374855085 /nfs/dbraw/zinc/85/50/85/374855085.db2.gz MRKNAHGTSKSQQS-YRGRVCCFSA-N 0 1 286.287 2.150 20 5 CEBDMN O=C([C@H]1CC1[N+](=O)[O-])N1CCCC12CCCCCC2 ZINC000378509761 375118285 /nfs/dbraw/zinc/11/82/85/375118285.db2.gz VRFFQPKSAUWKST-RYUDHWBXSA-N 0 1 266.341 2.367 20 5 CEBDMN C[C@H]1[C@@H](CO)CCN1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000385911591 375248376 /nfs/dbraw/zinc/24/83/76/375248376.db2.gz RCAHKWDARZRECY-GXSJLCMTSA-N 0 1 284.743 2.451 20 5 CEBDMN Cc1[nH]nc(C(=O)N2CC[C@]3(CC[C@@H](C)C3)C2)c1[N+](=O)[O-] ZINC000408175359 375422843 /nfs/dbraw/zinc/42/28/43/375422843.db2.gz YLQXCDZBAJXHGF-OTYXRUKQSA-N 0 1 292.339 2.279 20 5 CEBDMN Cn1cnc([N+](=O)[O-])c1CN1CCC[C@H]2CCC[C@@H]21 ZINC000408308457 375449302 /nfs/dbraw/zinc/44/93/02/375449302.db2.gz ITJSYKGXSREQDW-MNOVXSKESA-N 0 1 264.329 2.093 20 5 CEBDMN O=C(N[C@@H]1CCCC[C@H]1F)c1cc(O)cc([N+](=O)[O-])c1 ZINC000412669360 375650102 /nfs/dbraw/zinc/65/01/02/375650102.db2.gz GPSVBKSZJVGDTB-VXGBXAGGSA-N 0 1 282.271 2.311 20 5 CEBDMN CCN1CCN(c2cccc(F)c2[N+](=O)[O-])[C@H](C)C1 ZINC000286219126 375876404 /nfs/dbraw/zinc/87/64/04/375876404.db2.gz CXDXOJDHFBBPEH-SNVBAGLBSA-N 0 1 267.304 2.264 20 5 CEBDMN CC1(C)CC[C@H]1NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000287051080 376137770 /nfs/dbraw/zinc/13/77/70/376137770.db2.gz JHZAHIXUTFXRJY-LLVKDONJSA-N 0 1 288.307 2.390 20 5 CEBDMN C[C@H]1CCN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000263748979 190076814 /nfs/dbraw/zinc/07/68/14/190076814.db2.gz SGALQCOBEILLRR-JTQLQIEISA-N 0 1 288.307 2.487 20 5 CEBDMN O=[N+]([O-])c1ccc([O-])cc1C[N@@H+]1CCCC[C@@H]1C1(O)CC1 ZINC000556780613 376483629 /nfs/dbraw/zinc/48/36/29/376483629.db2.gz XXPLVFXMAIPGRN-CQSZACIVSA-N 0 1 292.335 2.180 20 5 CEBDMN COCCN1CC[C@H](Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000264568032 190119168 /nfs/dbraw/zinc/11/91/68/190119168.db2.gz GUJGROZRZLGJRB-JTQLQIEISA-N 0 1 299.758 2.381 20 5 CEBDMN CC1(C)[C@H](O)CCN1Cc1ccc([N+](=O)[O-])cc1F ZINC000311864441 376691508 /nfs/dbraw/zinc/69/15/08/376691508.db2.gz VSOTXVRLUXACPD-GFCCVEGCSA-N 0 1 268.288 2.079 20 5 CEBDMN O=[N+]([O-])c1ccc(CN[C@H]2CCO[C@H]2C2CC2)c(F)c1 ZINC000313685796 376749695 /nfs/dbraw/zinc/74/96/95/376749695.db2.gz QBNPQRHBDUJQNJ-KBPBESRZSA-N 0 1 280.299 2.391 20 5 CEBDMN O=[N+]([O-])c1cccc(CN2CC[C@@H](n3cccn3)C2)c1 ZINC000291020408 377035441 /nfs/dbraw/zinc/03/54/41/377035441.db2.gz AFVDCGCKQZOMOZ-CQSZACIVSA-N 0 1 272.308 2.238 20 5 CEBDMN CC[C@@]1(C)COCCN1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000330450711 377140194 /nfs/dbraw/zinc/14/01/94/377140194.db2.gz JMZSOQLDLNINIQ-AWEZNQCLSA-N 0 1 280.324 2.301 20 5 CEBDMN CO[C@H]1C[N@H+](Cc2cc([O-])ccc2[N+](=O)[O-])CC[C@@H]1C ZINC000330458979 377144420 /nfs/dbraw/zinc/14/44/20/377144420.db2.gz SMFYAQQJFFBKKA-HZMBPMFUSA-N 0 1 280.324 2.157 20 5 CEBDMN CO[C@H]1C[N@@H+](Cc2cc([O-])ccc2[N+](=O)[O-])CC[C@@H]1C ZINC000330458979 377144425 /nfs/dbraw/zinc/14/44/25/377144425.db2.gz SMFYAQQJFFBKKA-HZMBPMFUSA-N 0 1 280.324 2.157 20 5 CEBDMN Cc1[nH]nc(C(=O)Nc2c(O)cccc2Cl)c1[N+](=O)[O-] ZINC000563704418 377278972 /nfs/dbraw/zinc/27/89/72/377278972.db2.gz ZJXSGXRIPPSKDZ-UHFFFAOYSA-N 0 1 296.670 2.238 20 5 CEBDMN Cc1[nH]nc(C(=O)N2CC[C@H](C3CCCC3)C2)c1[N+](=O)[O-] ZINC000331485275 377445819 /nfs/dbraw/zinc/44/58/19/377445819.db2.gz BFPIGEODHQWBMB-NSHDSACASA-N 0 1 292.339 2.279 20 5 CEBDMN Cc1[nH]nc(C(=O)N(C2CCC2)C2CCC2)c1[N+](=O)[O-] ZINC000293607117 377652247 /nfs/dbraw/zinc/65/22/47/377652247.db2.gz CICZSOCDDQKBPO-UHFFFAOYSA-N 0 1 278.312 2.174 20 5 CEBDMN CCc1[nH]nc(C(=O)N2CC(C)(C)C[C@H]2C)c1[N+](=O)[O-] ZINC000332739525 377690186 /nfs/dbraw/zinc/69/01/86/377690186.db2.gz YISJKDQXZUPWLB-MRVPVSSYSA-N 0 1 280.328 2.141 20 5 CEBDMN CCC1(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000295867665 378336542 /nfs/dbraw/zinc/33/65/42/378336542.db2.gz LCKOJFGYQCSNEY-UHFFFAOYSA-N 0 1 274.280 2.144 20 5 CEBDMN CCN1C[C@@H](C)N(C(=O)c2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000346767176 218010398 /nfs/dbraw/zinc/01/03/98/218010398.db2.gz ICHYBQHXXXEYEL-NWDGAFQWSA-N 0 1 291.351 2.150 20 5 CEBDMN C[C@@]1(F)CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000347313309 218187187 /nfs/dbraw/zinc/18/71/87/218187187.db2.gz IOBUCYDCRPSALS-CYBMUJFWSA-N 0 1 292.270 2.045 20 5 CEBDMN COc1cc(N2CCN3CCC2CC3)c(F)cc1[N+](=O)[O-] ZINC000302746383 379442227 /nfs/dbraw/zinc/44/22/27/379442227.db2.gz FNLXAUQURNJYSW-UHFFFAOYSA-N 0 1 295.314 2.027 20 5 CEBDMN O=C(NCC1(C2CCC2)CCC1)c1n[nH]cc1[N+](=O)[O-] ZINC000457157822 379690010 /nfs/dbraw/zinc/69/00/10/379690010.db2.gz IPMGKKQAUOBDIE-UHFFFAOYSA-N 0 1 278.312 2.018 20 5 CEBDMN CC(=O)N[C@@H]1CCN([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000420955342 394453412 /nfs/dbraw/zinc/45/34/12/394453412.db2.gz LIEQKXSWWGGIPI-WCQYABFASA-N 0 1 291.351 2.175 20 5 CEBDMN C[C@@H]1CC[C@H](O)CN1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000421372616 394514768 /nfs/dbraw/zinc/51/47/68/394514768.db2.gz LBVQPWKZKWDEKD-HRLNJXSSSA-N 0 1 276.336 2.453 20 5 CEBDMN O=C(Nc1ccccc1O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000355662746 394492470 /nfs/dbraw/zinc/49/24/70/394492470.db2.gz SUMGWCVRDYRVPC-UHFFFAOYSA-N 0 1 274.232 2.258 20 5 CEBDMN Cc1c(C[N@@H+]2CCC[C@@H]([C@@H](C)O)C2)cccc1[N+](=O)[O-] ZINC000305180763 394498617 /nfs/dbraw/zinc/49/86/17/394498617.db2.gz NOAXQSQZZGDTFA-TZMCWYRMSA-N 0 1 278.352 2.496 20 5 CEBDMN O=[N+]([O-])c1ccccc1/C=C\CN1CCC(CO)CC1 ZINC000255767822 394590140 /nfs/dbraw/zinc/59/01/40/394590140.db2.gz GRRCAEOHIDLMKY-HYXAFXHYSA-N 0 1 276.336 2.312 20 5 CEBDMN C[C@@H]1CN(Cc2cc(O)ccc2[N+](=O)[O-])CCS1 ZINC000330614301 394621991 /nfs/dbraw/zinc/62/19/91/394621991.db2.gz RWTQAILOWRIPTE-SECBINFHSA-N 0 1 268.338 2.238 20 5 CEBDMN CC[C@@H](O)CNCc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000422093930 394675674 /nfs/dbraw/zinc/67/56/74/394675674.db2.gz ZIWJLIRPCOFGQR-SNVBAGLBSA-N 0 1 290.266 2.057 20 5 CEBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ncccc1O ZINC000122468522 394814153 /nfs/dbraw/zinc/81/41/53/394814153.db2.gz WWLQOVLHVZWLNS-UHFFFAOYSA-N 0 1 273.248 2.256 20 5 CEBDMN CCCC[C@H](CCC)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000132395306 394929540 /nfs/dbraw/zinc/92/95/40/394929540.db2.gz FGBJUSDQHTWXST-VIFPVBQESA-N 0 1 268.317 2.407 20 5 CEBDMN CCN1CCCN(c2ccc([N+](=O)[O-])cc2C(C)=O)CC1 ZINC000287369137 395038945 /nfs/dbraw/zinc/03/89/45/395038945.db2.gz OCBPYBHXGQBVRU-UHFFFAOYSA-N 0 1 291.351 2.329 20 5 CEBDMN Cc1cc(N2CC[C@@H](N3CC=CC3)C2)c(F)cc1[N+](=O)[O-] ZINC000292344847 395192830 /nfs/dbraw/zinc/19/28/30/395192830.db2.gz BOJQAOUGDDEQFU-GFCCVEGCSA-N 0 1 291.326 2.493 20 5 CEBDMN CCC[C@@H](C(=O)[O-])[N@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000519713623 395213697 /nfs/dbraw/zinc/21/36/97/395213697.db2.gz QZRBNOULNJDKHU-LBPRGKRZSA-N 0 1 294.307 2.043 20 5 CEBDMN C[C@H](C(=O)[O-])[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CCC1 ZINC000566510227 395533416 /nfs/dbraw/zinc/53/34/16/395533416.db2.gz MGYBKBBSTVTLJM-SNVBAGLBSA-N 0 1 278.308 2.422 20 5 CEBDMN Cc1ccc(C(=O)N2CCN(C)CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000354020761 292055712 /nfs/dbraw/zinc/05/57/12/292055712.db2.gz UJPZJWNYVYCXEM-LBPRGKRZSA-N 0 1 291.351 2.069 20 5 CEBDMN COc1ccc([N+](=O)[O-])cc1NCc1n[nH]c(C2CC2)n1 ZINC000190311258 153120946 /nfs/dbraw/zinc/12/09/46/153120946.db2.gz PDYMWAFQCHHRGZ-UHFFFAOYSA-N 0 1 289.295 2.211 20 5 CEBDMN C[C@H](C(=O)[O-])[N@@H+](CCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000263329110 154058961 /nfs/dbraw/zinc/05/89/61/154058961.db2.gz LLZLTNWCJWYPNM-SNVBAGLBSA-N 0 1 278.308 2.075 20 5 CEBDMN C[C@@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)C(=O)N1CCCC1 ZINC000135678207 287051437 /nfs/dbraw/zinc/05/14/37/287051437.db2.gz JJUMJNBSGFGRLW-NWDGAFQWSA-N 0 1 291.351 2.256 20 5 CEBDMN C[C@@H]1CN(CCOc2ccccc2[N+](=O)[O-])CCCO1 ZINC000170764815 165041374 /nfs/dbraw/zinc/04/13/74/165041374.db2.gz SJRSHZQMBSDHGM-GFCCVEGCSA-N 0 1 280.324 2.084 20 5 CEBDMN Cc1c([C@@H](C)NCc2cccc([N+](=O)[O-])c2)cnn1C ZINC000035274490 172094289 /nfs/dbraw/zinc/09/42/89/172094289.db2.gz KTGQDGLONOXXDJ-SNVBAGLBSA-N 0 1 274.324 2.488 20 5 CEBDMN CC(C)[C@@H](CCO)NCc1c(F)cc([N+](=O)[O-])cc1F ZINC000285642658 196353345 /nfs/dbraw/zinc/35/33/45/196353345.db2.gz OCDKDAGNLYTVJM-CYBMUJFWSA-N 0 1 288.294 2.370 20 5 CEBDMN CN1CCC[C@@H](NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000040690809 174376992 /nfs/dbraw/zinc/37/69/92/174376992.db2.gz VSIGQXINPGUTJX-SNVBAGLBSA-N 0 1 297.742 2.072 20 5 CEBDMN O=[N+]([O-])c1ccc(N[C@@H]2CCN(C3CC3)C2)c(F)c1 ZINC000044417323 175173341 /nfs/dbraw/zinc/17/33/41/175173341.db2.gz NLQKXDAHJBSVCN-SECBINFHSA-N 0 1 265.288 2.383 20 5 CEBDMN CN(Cc1cc(C(C)(C)C)[nH]n1)c1ncc([N+](=O)[O-])cn1 ZINC000444865948 261193321 /nfs/dbraw/zinc/19/33/21/261193321.db2.gz TXGDVKICBMMTOD-UHFFFAOYSA-N 0 1 290.327 2.042 20 5 CEBDMN C[C@H](O)CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000438983443 263087946 /nfs/dbraw/zinc/08/79/46/263087946.db2.gz BXKOADCOPOYUIE-NSHDSACASA-N 0 1 264.325 2.330 20 5 CEBDMN C[C@@H]1CC[C@H](CNCc2ccc([N+](=O)[O-])cc2F)O1 ZINC000398064218 270356040 /nfs/dbraw/zinc/35/60/40/270356040.db2.gz HENHMKTWPFCGSA-BXKDBHETSA-N 0 1 268.288 2.391 20 5 CEBDMN COc1cc([N+](=O)[O-])ccc1CN1CCC[C@@H](C)[C@@H]1CO ZINC000430225562 271365124 /nfs/dbraw/zinc/36/51/24/271365124.db2.gz YJLSMLQFZQWQAY-RISCZKNCSA-N 0 1 294.351 2.196 20 5 CEBDMN O=[N+]([O-])c1ccc(O)cc1CSc1nncs1 ZINC000436473011 271667953 /nfs/dbraw/zinc/66/79/53/271667953.db2.gz DJNMOGBCPRYWNR-UHFFFAOYSA-N 0 1 269.307 2.444 20 5 CEBDMN CCN1CCCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000269643508 276164940 /nfs/dbraw/zinc/16/49/40/276164940.db2.gz ORRZTJREQRJAAU-UHFFFAOYSA-N 0 1 285.294 2.405 20 5 CEBDMN CN1CCCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC000134483193 277049634 /nfs/dbraw/zinc/04/96/34/277049634.db2.gz NBSPJPRXEFAYRR-UHFFFAOYSA-N 0 1 297.742 2.026 20 5 CEBDMN CN1CC[C@H]2CCN(c3c(F)cc([N+](=O)[O-])cc3F)[C@@H]2C1 ZINC000272250246 277178114 /nfs/dbraw/zinc/17/81/14/277178114.db2.gz YHGWSJHHMDEPNF-TVQRCGJNSA-N 0 1 297.305 2.403 20 5 CEBDMN CC(C)c1[nH]nc(C(=O)N2CC[C@H](C)[C@@H]2C)c1[N+](=O)[O-] ZINC000269336994 278000654 /nfs/dbraw/zinc/00/06/54/278000654.db2.gz BNOFPUXFHLCLJK-IUCAKERBSA-N 0 1 280.328 2.312 20 5 CEBDMN C[C@@H](O)[C@H]1CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000136321145 280060496 /nfs/dbraw/zinc/06/04/96/280060496.db2.gz ZLDUMZZZAXAEEV-NEPJUHHUSA-N 0 1 264.325 2.188 20 5 CEBDMN C[C@H]1c2ccccc2CCN1CCn1cc([N+](=O)[O-])cn1 ZINC000174852314 280126228 /nfs/dbraw/zinc/12/62/28/280126228.db2.gz BEBRMSPDXLMALL-LBPRGKRZSA-N 0 1 286.335 2.411 20 5 CEBDMN CC[C@@H]1CC[C@@H](C)N1C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000271831204 280324002 /nfs/dbraw/zinc/32/40/02/280324002.db2.gz RYXRQTDZQLCQGT-VXNVDRBHSA-N 0 1 266.301 2.029 20 5 CEBDMN CCc1[nH]nc(C(=O)N2[C@@H](C)CCC[C@@H]2C)c1[N+](=O)[O-] ZINC000192520817 281363107 /nfs/dbraw/zinc/36/31/07/281363107.db2.gz LDSKWTPWTGAJAM-IUCAKERBSA-N 0 1 280.328 2.283 20 5 CEBDMN COc1cc(CN2CCC[C@H]([C@@H](C)O)C2)ccc1[N+](=O)[O-] ZINC000305864290 289275012 /nfs/dbraw/zinc/27/50/12/289275012.db2.gz ZAZXGCLSIJHALQ-YPMHNXCESA-N 0 1 294.351 2.196 20 5 CEBDMN Cc1cc(N[C@@H]2CO[C@H](C)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000402029781 289289002 /nfs/dbraw/zinc/28/90/02/289289002.db2.gz IAUNPVBVYRZJMC-MNOVXSKESA-N 0 1 287.319 2.463 20 5 CEBDMN O=[N+]([O-])c1ccn(CCN2CCC[C@@H]2c2ccccn2)n1 ZINC000530963161 298089976 /nfs/dbraw/zinc/08/99/76/298089976.db2.gz VDSLPRZVURTVLI-CYBMUJFWSA-N 0 1 287.323 2.023 20 5 CEBDMN Cn1cnc([N+](=O)[O-])c1C[N@@H+](C1CC1)C1CCCC1 ZINC000531348061 298103236 /nfs/dbraw/zinc/10/32/36/298103236.db2.gz NRUFAWSJQXYEGA-UHFFFAOYSA-N 0 1 264.329 2.235 20 5 CEBDMN Cn1cnc([N+](=O)[O-])c1CN(C1CC1)C1CCCC1 ZINC000531348061 298103238 /nfs/dbraw/zinc/10/32/38/298103238.db2.gz NRUFAWSJQXYEGA-UHFFFAOYSA-N 0 1 264.329 2.235 20 5 CEBDMN CCO[C@@H]1C[C@@H]1N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000556078720 313657653 /nfs/dbraw/zinc/65/76/53/313657653.db2.gz YEGASPRJQSZJFY-TVYUQYBPSA-N 0 1 250.298 2.423 20 5 CEBDMN COc1cc([N+](=O)[O-])ccc1C[N@@H+](CC(=O)[O-])C1CCC1 ZINC000576123614 314245333 /nfs/dbraw/zinc/24/53/33/314245333.db2.gz SYNVXRNFQXBTRX-UHFFFAOYSA-N 0 1 294.307 2.043 20 5 CEBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@@H](C)C(=O)NC(C)C ZINC000576128801 314246048 /nfs/dbraw/zinc/24/60/48/314246048.db2.gz DJVFKBQFIVRAHG-NEPJUHHUSA-N 0 1 293.367 2.467 20 5 CEBDMN CCN(C)C(=O)[C@@H](C)N[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000581081461 322368290 /nfs/dbraw/zinc/36/82/90/322368290.db2.gz BAQXZPSPUHPILZ-MFKMUULPSA-N 0 1 291.351 2.039 20 5 CEBDMN Cc1cccc(N2CCC[C@@H](c3nc[nH]n3)C2)c1[N+](=O)[O-] ZINC000364796550 524541751 /nfs/dbraw/zinc/54/17/51/524541751.db2.gz HJWRRRXZRIESEC-LLVKDONJSA-N 0 1 287.323 2.405 20 5 CEBDMN Cc1ccccc1C1=CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000374634005 525084777 /nfs/dbraw/zinc/08/47/77/525084777.db2.gz XWXKQXVWJVUZDP-CABCVRRESA-N 0 1 286.331 2.276 20 5 CEBDMN C[C@H](NC1COC(C)(C)OC1)c1ccc([N+](=O)[O-])cc1 ZINC000757695846 574514230 /nfs/dbraw/zinc/51/42/30/574514230.db2.gz AKDXXPHXIISGBX-JTQLQIEISA-N 0 1 280.324 2.397 20 5 CEBDMN C[C@@H](C(=O)[O-])[N@@H+](C)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000093633521 597470279 /nfs/dbraw/zinc/47/02/79/597470279.db2.gz QRXXPJPPABALIZ-ZETCQYMHSA-N 0 1 272.688 2.153 20 5 CEBDMN CN(C[C@H]1CCC[N@H+]1Cc1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC000828230546 604109061 /nfs/dbraw/zinc/10/90/61/604109061.db2.gz RLOCYYDIKRKJPT-GFCCVEGCSA-N 0 1 293.323 2.169 20 5 CEBDMN CCN1CCN(c2ccc([N+](=O)[O-])cc2F)[C@@H](C)C1 ZINC000804795402 622967978 /nfs/dbraw/zinc/96/79/78/622967978.db2.gz QOKMSSWQUGSJNM-JTQLQIEISA-N 0 1 267.304 2.264 20 5 CEBDMN Cc1ncc([N+](=O)[O-])n1CCN(Cc1ccoc1)C1CC1 ZINC000934004778 624158782 /nfs/dbraw/zinc/15/87/82/624158782.db2.gz UOFABYWIEIJEPX-UHFFFAOYSA-N 0 1 290.323 2.357 20 5 CEBDMN CC1(C)[C@@H](O)CCN1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000311827293 627702683 /nfs/dbraw/zinc/70/26/83/627702683.db2.gz OKTRMSRQBHBTKH-LBPRGKRZSA-N 0 1 268.288 2.079 20 5 CEBDMN CCn1cc(CNCc2ccc([N+](=O)[O-])cc2)c(C)n1 ZINC000893329423 628337089 /nfs/dbraw/zinc/33/70/89/628337089.db2.gz QQJWDNGLECTDHO-UHFFFAOYSA-N 0 1 274.324 2.409 20 5 CEBDMN CC(C)Oc1ccccc1COC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840670593 629290640 /nfs/dbraw/zinc/29/06/40/629290640.db2.gz IRKGKUAEABEUKF-VXGBXAGGSA-N 0 1 279.292 2.182 20 5 CEBDMN CC(=O)c1cc(N[C@@H]2CC[N@@H+](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000895736168 630325604 /nfs/dbraw/zinc/32/56/04/630325604.db2.gz JBMIOACSASAZOV-TVQRCGJNSA-N 0 1 277.324 2.302 20 5 CEBDMN CC(=O)c1cc(N[C@@H]2CCN(C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000895736168 630325608 /nfs/dbraw/zinc/32/56/08/630325608.db2.gz JBMIOACSASAZOV-TVQRCGJNSA-N 0 1 277.324 2.302 20 5 CEBDMN CN1CC[C@@H]1CNc1ccc2cnccc2c1[N+](=O)[O-] ZINC000895767801 630337416 /nfs/dbraw/zinc/33/74/16/630337416.db2.gz RVNGPFRHRXWAPF-LLVKDONJSA-N 0 1 272.308 2.259 20 5 CEBDMN COc1c(O)ccc(CN2CCC[C@@H](CF)C2)c1[N+](=O)[O-] ZINC000896000694 630431852 /nfs/dbraw/zinc/43/18/52/630431852.db2.gz YCQVDPMXHNIDAA-JTQLQIEISA-N 0 1 298.314 2.491 20 5 CEBDMN CC(C)C[C@H]1CN(C)CCN1c1ccc([N+](=O)[O-])nc1 ZINC000896650379 630624884 /nfs/dbraw/zinc/62/48/84/630624884.db2.gz GIZITOMDJYKGGP-ZDUSSCGKSA-N 0 1 278.356 2.156 20 5 CEBDMN CC(C)C[C@H]1CN(C)CCN1c1ncccc1[N+](=O)[O-] ZINC000896651800 630625547 /nfs/dbraw/zinc/62/55/47/630625547.db2.gz YTTBTKIGQOINEA-LBPRGKRZSA-N 0 1 278.356 2.156 20 5 CEBDMN O=[N+]([O-])CCN1CCC(COc2ccccc2)CC1 ZINC000798197006 630837019 /nfs/dbraw/zinc/83/70/19/630837019.db2.gz ZODQSCGPCYJRLA-UHFFFAOYSA-N 0 1 264.325 2.054 20 5 CEBDMN CC(=O)N1CCC(N(C)Cc2csc([N+](=O)[O-])c2)CC1 ZINC000985182955 630874488 /nfs/dbraw/zinc/87/44/88/630874488.db2.gz BOXRLNQLYCOGMX-UHFFFAOYSA-N 0 1 297.380 2.099 20 5 CEBDMN Cc1cc(N[C@H]2CC23CC(O)C3)c2cc([N+](=O)[O-])ccc2n1 ZINC000897091241 630924245 /nfs/dbraw/zinc/92/42/45/630924245.db2.gz IEHLGCFUIBYKJZ-AJQRCPHMSA-N 0 1 299.330 2.199 20 5 CEBDMN Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+](C)C[C@@H](C)C(=O)[O-] ZINC000901598764 634205011 /nfs/dbraw/zinc/20/50/11/634205011.db2.gz XXJDQOTUFXQVED-SNVBAGLBSA-N 0 1 280.324 2.364 20 5 CEBDMN O=[N+]([O-])c1ccc(O)cc1CSCCO[C@@H]1CCOC1 ZINC000901831786 634324313 /nfs/dbraw/zinc/32/43/13/634324313.db2.gz AUBSJUJKKYLKOD-GFCCVEGCSA-N 0 1 299.348 2.339 20 5 CEBDMN O=[N+]([O-])CCNCCc1csc(-c2ccccc2)n1 ZINC000905157942 635833217 /nfs/dbraw/zinc/83/32/17/635833217.db2.gz CJQFDFOGWJDWGL-UHFFFAOYSA-N 0 1 277.349 2.219 20 5 CEBDMN O=C(Nc1ccc(C2CC2)cc1F)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000828610781 636641624 /nfs/dbraw/zinc/64/16/24/636641624.db2.gz AMJASQISEPJBOX-BXKDBHETSA-N 0 1 264.256 2.307 20 5 CEBDMN C[C@@H]1CCC[C@H](C)N1NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000907988730 637202584 /nfs/dbraw/zinc/20/25/84/637202584.db2.gz JAVMLRZONBLBCS-AOOOYVTPSA-N 0 1 293.323 2.208 20 5 CEBDMN C[C@H]1C[C@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)CCS1 ZINC000834665459 637911943 /nfs/dbraw/zinc/91/19/43/637911943.db2.gz HPRGLRANJZXTJR-WCBMZHEXSA-N 0 1 296.348 2.314 20 5 CEBDMN O=C(OCc1cc(O)ccc1[N+](=O)[O-])C1CC(F)(F)C1 ZINC000837570051 639287033 /nfs/dbraw/zinc/28/70/33/639287033.db2.gz YPYPVFVWAMOBSX-UHFFFAOYSA-N 0 1 287.218 2.389 20 5 CEBDMN CCCSCC(=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837680058 639339516 /nfs/dbraw/zinc/33/95/16/639339516.db2.gz AZQDWEANYKIROC-UHFFFAOYSA-N 0 1 285.321 2.487 20 5 CEBDMN O=C(OCc1cc(Cl)nc(Cl)c1)[C@@H]1CC1[N+](=O)[O-] ZINC000840671521 639520844 /nfs/dbraw/zinc/52/08/44/639520844.db2.gz WLXKIOTWQWLNFL-RNFRBKRXSA-N 0 1 291.090 2.097 20 5 CEBDMN C[C@H](C[S@@](C)=O)NCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000168850471 639586419 /nfs/dbraw/zinc/58/64/19/639586419.db2.gz RIRIHXQKXVZSSY-CVJBHZAOSA-N 0 1 290.772 2.105 20 5 CEBDMN O=C(Oc1cccc(OC(F)(F)F)c1)[C@@H]1CC1[N+](=O)[O-] ZINC000841189782 639702819 /nfs/dbraw/zinc/70/28/19/639702819.db2.gz JHAPVQSWKOZDRE-RKDXNWHRSA-N 0 1 291.181 2.156 20 5 CEBDMN O=C(Oc1cc(F)ccc1Cl)[C@@H]1CC1[N+](=O)[O-] ZINC000841223405 639711557 /nfs/dbraw/zinc/71/15/57/639711557.db2.gz UVSUDESDDBCSCN-HTRCEHHLSA-N 0 1 259.620 2.050 20 5 CEBDMN CC(C)Oc1cccc(OC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC000842303883 640004802 /nfs/dbraw/zinc/00/48/02/640004802.db2.gz RJGMCPZIFDQJQA-VXGBXAGGSA-N 0 1 265.265 2.044 20 5 CEBDMN O=C(OCCCSc1ccccc1)[C@@H]1CC1[N+](=O)[O-] ZINC000842346653 640023871 /nfs/dbraw/zinc/02/38/71/640023871.db2.gz UNIFVDZNCUHNHA-VXGBXAGGSA-N 0 1 281.333 2.377 20 5 CEBDMN Cc1c(-c2noc(CNCC3CC3)n2)cccc1[N+](=O)[O-] ZINC000843238021 640364693 /nfs/dbraw/zinc/36/46/93/640364693.db2.gz KDGIBPJXQPLGPU-UHFFFAOYSA-N 0 1 288.307 2.453 20 5 CEBDMN O=[N+]([O-])c1cc(CN[C@@H]2COC[C@@H]2C2CC2)cs1 ZINC000914433935 640404548 /nfs/dbraw/zinc/40/45/48/640404548.db2.gz YGDTYFYXZDYBPK-GHMZBOCLSA-N 0 1 268.338 2.171 20 5 CEBDMN C[C@@H](CCO)N(C)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000844447437 640729520 /nfs/dbraw/zinc/72/95/20/640729520.db2.gz OHTIBNGKGAQKPT-VIFPVBQESA-N 0 1 272.732 2.451 20 5 CEBDMN O=C([O-])[C@]12CCC[C@@H]1C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C2 ZINC000846283214 641259323 /nfs/dbraw/zinc/25/93/23/641259323.db2.gz FUCVTRCPVIKMGZ-DOMZBBRYSA-N 0 1 290.319 2.282 20 5 CEBDMN CCCN(C)CN1CC[C@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848477100 642008714 /nfs/dbraw/zinc/00/87/14/642008714.db2.gz LWKDYJJNXMRMOR-CQSZACIVSA-N 0 1 291.351 2.210 20 5 CEBDMN Cn1nc2c(c1CNCc1ccc([N+](=O)[O-])cc1)CCC2 ZINC000921564533 642244675 /nfs/dbraw/zinc/24/46/75/642244675.db2.gz TXTCHOUSZZZNQN-UHFFFAOYSA-N 0 1 286.335 2.107 20 5 CEBDMN COc1cc(CN[C@@H]2C=CCC2)c([N+](=O)[O-])cc1OC ZINC000850357927 642681168 /nfs/dbraw/zinc/68/11/68/642681168.db2.gz BTXGAAMANXJYFB-LLVKDONJSA-N 0 1 278.308 2.420 20 5 CEBDMN O=C(Oc1ccc(OC2CCC2)cc1)[C@@H]1CC1[N+](=O)[O-] ZINC000851351612 642992118 /nfs/dbraw/zinc/99/21/18/642992118.db2.gz OISXUEQVAKPKCE-CHWSQXEVSA-N 0 1 277.276 2.189 20 5 CEBDMN O=[N+]([O-])c1ccc(OC(F)F)c(CNC2CSC2)c1 ZINC000877635502 650827122 /nfs/dbraw/zinc/82/71/22/650827122.db2.gz UHKZXELLZFFOJT-UHFFFAOYSA-N 0 1 290.291 2.401 20 5 CEBDMN O=[N+]([O-])c1ccc(Cl)c(CN[C@H]2C[C@H](CO)C2)c1 ZINC000923007328 643507306 /nfs/dbraw/zinc/50/73/06/643507306.db2.gz KHGSYBCPHQNVBR-CZMCAQCFSA-N 0 1 270.716 2.109 20 5 CEBDMN C[C@H](C(=O)OCc1cc(O)ccc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000923056740 643541362 /nfs/dbraw/zinc/54/13/62/643541362.db2.gz CEAJVOOBKAXVFI-TVQRCGJNSA-N 0 1 295.291 2.159 20 5 CEBDMN CC(C)(C)CN(CCCO)Cc1cccnc1[N+](=O)[O-] ZINC000886001817 643805405 /nfs/dbraw/zinc/80/54/05/643805405.db2.gz KMYDRSGBGBZLOI-UHFFFAOYSA-N 0 1 281.356 2.220 20 5 CEBDMN C[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccc2c(c1)CCCC2 ZINC000839471319 644236676 /nfs/dbraw/zinc/23/66/76/644236676.db2.gz WHQJJIOJFFQDQZ-VCTAVGKDSA-N 0 1 288.347 2.408 20 5 CEBDMN CC[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])C1CCCCC1 ZINC000839620712 644756898 /nfs/dbraw/zinc/75/68/98/644756898.db2.gz BOXGJQURQYPUNR-IJLUTSLNSA-N 0 1 254.330 2.127 20 5 CEBDMN CC(C)CC[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839643515 644771937 /nfs/dbraw/zinc/77/19/37/644771937.db2.gz LONXCNURZCGTAM-QNWHQSFQSA-N 0 1 268.357 2.373 20 5 CEBDMN CC(C)CC[C@H]1CCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839707398 644787353 /nfs/dbraw/zinc/78/73/53/644787353.db2.gz UNGCQYDCVBQNQT-IJLUTSLNSA-N 0 1 254.330 2.079 20 5 CEBDMN CCOc1cc(Cl)ccc1CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839713346 644789254 /nfs/dbraw/zinc/78/92/54/644789254.db2.gz RHBMARMUKWTCEE-GHMZBOCLSA-N 0 1 298.726 2.020 20 5 CEBDMN Cc1cc([C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C2CC2)ccc1F ZINC000839713771 644789387 /nfs/dbraw/zinc/78/93/87/644789387.db2.gz FCUUIPFGIKYRKN-MRVWCRGKSA-N 0 1 292.310 2.367 20 5 CEBDMN C[C@]1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCCc2ccccc21 ZINC000839717651 644790893 /nfs/dbraw/zinc/79/08/93/644790893.db2.gz GFPHEFXAUVTEOX-XNRPHZJLSA-N 0 1 288.347 2.062 20 5 CEBDMN O=C(NCC1(c2ccccc2Cl)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC000839717748 644790966 /nfs/dbraw/zinc/79/09/66/644790966.db2.gz KCPMNDHDLSETRB-BXKDBHETSA-N 0 1 294.738 2.153 20 5 CEBDMN CN(Cc1cc(F)ccc1[N+](=O)[O-])CC1(C)COC1 ZINC000859567734 645520875 /nfs/dbraw/zinc/52/08/75/645520875.db2.gz YWAKRSHQOWTLRP-UHFFFAOYSA-N 0 1 268.288 2.202 20 5 CEBDMN COc1cc(Cl)cc(CCOC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC000861364056 646151500 /nfs/dbraw/zinc/15/15/00/646151500.db2.gz WSHDLLGCDDNVJV-VXGBXAGGSA-N 0 1 299.710 2.100 20 5 CEBDMN O=C(Nn1cnc2ccccc21)c1cc(O)cc([N+](=O)[O-])c1 ZINC000769465393 646272571 /nfs/dbraw/zinc/27/25/71/646272571.db2.gz YMDVUHLJOUOBOY-UHFFFAOYSA-N 0 1 298.258 2.034 20 5 CEBDMN O=[N+]([O-])c1ccnn1CN1C[C@@H]2C[C@@H](c3ccccc3)[C@@H]2C1 ZINC000863321476 646703859 /nfs/dbraw/zinc/70/38/59/646703859.db2.gz WRMBMIKBUWLLGW-SOUVJXGZSA-N 0 1 298.346 2.484 20 5 CEBDMN CCCOc1ccc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1C ZINC000863525976 646747219 /nfs/dbraw/zinc/74/72/19/646747219.db2.gz IDEGDSWOXXJXPX-VXGBXAGGSA-N 0 1 278.308 2.388 20 5 CEBDMN CC[C@H](C)[C@H](C)NC(=O)[C@](C)(N)c1cccc([N+](=O)[O-])c1 ZINC000867942749 647996379 /nfs/dbraw/zinc/99/63/79/647996379.db2.gz VXTJPPRPXVGEET-ZIBATOQPSA-N 0 1 293.367 2.320 20 5 CEBDMN CC[C@@](C)(NC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccc(F)cc1 ZINC000869792310 648601677 /nfs/dbraw/zinc/60/16/77/648601677.db2.gz HVLPATLRTHJWFI-YRGRVCCFSA-N 0 1 280.299 2.232 20 5 CEBDMN CC(C)c1nsc(COC(=O)c2ccc([N+](=O)[O-])[nH]2)n1 ZINC000793213896 648724574 /nfs/dbraw/zinc/72/45/74/648724574.db2.gz KPMMHTRTECHFIY-UHFFFAOYSA-N 0 1 296.308 2.255 20 5 CEBDMN CN1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CCC1(C)C ZINC000871149725 649012050 /nfs/dbraw/zinc/01/20/50/649012050.db2.gz HSSYIRXGDCKQON-UHFFFAOYSA-N 0 1 297.380 2.213 20 5 CEBDMN CC(C)[C@H](O)CN[C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872034851 649248301 /nfs/dbraw/zinc/24/83/01/649248301.db2.gz LQZRNLUAWSITIU-BXKDBHETSA-N 0 1 270.304 2.401 20 5 CEBDMN O=C(OCc1cc(C(F)(F)F)co1)[C@@H]1CC1[N+](=O)[O-] ZINC000873402095 649668963 /nfs/dbraw/zinc/66/89/63/649668963.db2.gz HQFMLACFAYJGMN-HTQZYQBOSA-N 0 1 279.170 2.007 20 5 CEBDMN CC(C)(O)[C@H]1CCN(Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000880145141 651392009 /nfs/dbraw/zinc/39/20/09/651392009.db2.gz HUKZREHIVVSCDI-JTQLQIEISA-N 0 1 282.315 2.327 20 5 CEBDMN C[C@H]1c2sccc2CCN1CCn1ccc([N+](=O)[O-])n1 ZINC000880378086 651433227 /nfs/dbraw/zinc/43/32/27/651433227.db2.gz NUAVTOBFRMCWOB-JTQLQIEISA-N 0 1 292.364 2.472 20 5 CEBDMN CC(C)c1cc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])ccc1O ZINC000882654233 652172608 /nfs/dbraw/zinc/17/26/08/652172608.db2.gz QHSPRHLVYJMGCD-GHMZBOCLSA-N 0 1 264.281 2.119 20 5 CEBDMN Nc1cccc(O)c1Nc1ccc(O)c([N+](=O)[O-])c1 ZINC001210398176 802679499 /nfs/dbraw/zinc/67/94/99/802679499.db2.gz UFEGJGNZIQLERU-UHFFFAOYSA-N 0 1 261.237 2.332 20 5 CEBDMN CC(C)(CCc1noc(C23CCCN2CCC3)n1)[N+](=O)[O-] ZINC001117985212 814972377 /nfs/dbraw/zinc/97/23/77/814972377.db2.gz GGGULKDENKOCGI-UHFFFAOYSA-N 0 1 294.355 2.142 20 5 CEBDMN C[C@H](NCC[N+](=O)[O-])c1cccc(N2CCCC2)c1 ZINC001119696109 815150826 /nfs/dbraw/zinc/15/08/26/815150826.db2.gz OSNGUJXJOBGMJC-LBPRGKRZSA-N 0 1 263.341 2.214 20 5 CEBDMN CC[N@@H+](Cc1cc(F)ccc1[N+](=O)[O-])[C@@H](C)C(=O)[O-] ZINC000707962762 809915908 /nfs/dbraw/zinc/91/59/08/809915908.db2.gz VJDLQWBVGVJHMX-QMMMGPOBSA-N 0 1 270.260 2.029 20 5 CEBDMN Cc1ccc(NC(=O)C2(N(C)C)CCC2)cc1[N+](=O)[O-] ZINC000119290589 810767549 /nfs/dbraw/zinc/76/75/49/810767549.db2.gz REQVIVYSYFCFHI-UHFFFAOYSA-N 0 1 277.324 2.326 20 5 CEBDMN O=[N+]([O-])C[C@H]1CC[C@@H](NC2(c3cccc(F)c3)COC2)C1 ZINC001168972561 811322391 /nfs/dbraw/zinc/32/23/91/811322391.db2.gz NIAYEQBJPSGDTP-SMDDNHRTSA-N 0 1 294.326 2.086 20 5 CEBDMN CN(CC(=O)c1ccccc1)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169035804 811347319 /nfs/dbraw/zinc/34/73/19/811347319.db2.gz CJVSZTQVVCVOKC-JSGCOSHPSA-N 0 1 276.336 2.247 20 5 CEBDMN CN(Cc1nccs1)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169036551 811347363 /nfs/dbraw/zinc/34/73/63/811347363.db2.gz GMHOSYIXASCLED-UWVGGRQHSA-N 0 1 255.343 2.020 20 5 CEBDMN O=C1C[C@H]2CCC[C@@H](C1)N2[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169038026 811348319 /nfs/dbraw/zinc/34/83/19/811348319.db2.gz VCZKVJNOIGCKTG-RVMXOQNASA-N 0 1 266.341 2.018 20 5 CEBDMN C[C@@H](C(=O)OC(C)(C)C)N(C)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169039039 811349178 /nfs/dbraw/zinc/34/91/78/811349178.db2.gz MPRQFIQSRJXGSB-TUAOUCFPSA-N 0 1 286.372 2.094 20 5 CEBDMN CN(Cc1cscn1)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169040365 811351388 /nfs/dbraw/zinc/35/13/88/811351388.db2.gz ZJPOKPIGGHRJLQ-ONGXEEELSA-N 0 1 255.343 2.020 20 5 CEBDMN C[C@@H]1[C@@H](C)N(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CCN1C ZINC000771286889 811954799 /nfs/dbraw/zinc/95/47/99/811954799.db2.gz HGUCAGLZEFNSGR-NXEZZACHSA-N 0 1 294.311 2.032 20 5 CEBDMN COc1ccc(C[C@@H](C)n2ccnc2CN)c([N+](=O)[O-])c1 ZINC001170300085 812376930 /nfs/dbraw/zinc/37/69/30/812376930.db2.gz WTHDWXBXABSBBM-SNVBAGLBSA-N 0 1 290.323 2.062 20 5 CEBDMN COc1ccc(C[C@H](C)N2CCC2)c([N+](=O)[O-])c1 ZINC001170329788 812388947 /nfs/dbraw/zinc/38/89/47/812388947.db2.gz UMBLBAIJAUCPAE-JTQLQIEISA-N 0 1 250.298 2.240 20 5 CEBDMN Cc1cnc(CN)n1-c1nccc2cc([N+](=O)[O-])ccc21 ZINC001158169274 812616981 /nfs/dbraw/zinc/61/69/81/812616981.db2.gz JGQNGKLDYDHQTQ-UHFFFAOYSA-N 0 1 283.291 2.096 20 5 CEBDMN CC(C)C[C@@H](CO)NCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC001206577750 812668914 /nfs/dbraw/zinc/66/89/14/812668914.db2.gz OMYJWXXTHWZKGW-JTQLQIEISA-N 0 1 293.323 2.233 20 5 CEBDMN Cc1ccc(C[N@@H+](CCC(=O)[O-])C2CC2)cc1[N+](=O)[O-] ZINC000714014815 814881942 /nfs/dbraw/zinc/88/19/42/814881942.db2.gz GVUCUWYGSGVSCL-UHFFFAOYSA-N 0 1 278.308 2.342 20 5 CEBDMN [CH2]CC[N@H+](CCN)[C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173222073 815625981 /nfs/dbraw/zinc/62/59/81/815625981.db2.gz SVLQMOZUYVYAHM-GFCCVEGCSA-N 0 1 264.349 2.011 20 5 CEBDMN [CH2]CC[N@@H+](CCN)[C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173222073 815625984 /nfs/dbraw/zinc/62/59/84/815625984.db2.gz SVLQMOZUYVYAHM-GFCCVEGCSA-N 0 1 264.349 2.011 20 5 CEBDMN Nc1cccc2[nH+]cn(-c3ccc(C(=O)[O-])c([N+](=O)[O-])c3)c21 ZINC001174504467 816030116 /nfs/dbraw/zinc/03/01/16/816030116.db2.gz OUINFBSJCYWXPC-UHFFFAOYSA-N 0 1 298.258 2.214 20 5 CEBDMN CCN(CC)CC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000337558771 214155501 /nfs/dbraw/zinc/15/55/01/214155501.db2.gz LIXUABIZBPRHHA-UHFFFAOYSA-N 0 1 269.276 2.014 20 5 CEBDMN CN1CCC[C@H]1CNc1c(F)cc([N+](=O)[O-])cc1F ZINC000121694774 365604829 /nfs/dbraw/zinc/60/48/29/365604829.db2.gz TUGXGBHTUKGSSX-QMMMGPOBSA-N 0 1 271.267 2.379 20 5 CEBDMN Cc1ccc([C@H](C)NCC(=O)NC(C)C)cc1[N+](=O)[O-] ZINC000036781462 361856184 /nfs/dbraw/zinc/85/61/84/361856184.db2.gz HPNMARBBNXXDQQ-NSHDSACASA-N 0 1 279.340 2.078 20 5 CEBDMN CCCNC(=O)[C@@H](C)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000036959501 361874653 /nfs/dbraw/zinc/87/46/53/361874653.db2.gz IZYJSACYMIYFLE-VXGBXAGGSA-N 0 1 293.367 2.469 20 5 CEBDMN C[C@@H]1CCc2[nH]n(-c3ccc([N+](=O)[O-])cc3)c(=O)c21 ZINC000601935052 346931257 /nfs/dbraw/zinc/93/12/57/346931257.db2.gz OZYZUHSXECWNPG-PELKAZGASA-N 0 1 259.265 2.344 20 5 CEBDMN O=c1c2c([nH]n1-c1ccc([N+](=O)[O-])cc1)CCSC2 ZINC000601935827 346931697 /nfs/dbraw/zinc/93/16/97/346931697.db2.gz ZMZYQWMRBDDGPW-JTQLQIEISA-N 0 1 277.305 2.051 20 5 CEBDMN CCOC(=O)CCN[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000045685344 362165039 /nfs/dbraw/zinc/16/50/39/362165039.db2.gz VKBMZIVETSYPQI-SNVBAGLBSA-N 0 1 266.297 2.199 20 5 CEBDMN CCc1c(C)[nH]n(-c2ccc([N+](=O)[O-])cc2F)c1=O ZINC000601942269 346935452 /nfs/dbraw/zinc/93/54/52/346935452.db2.gz KGBAJIYUDZCCCH-VIFPVBQESA-N 0 1 265.244 2.483 20 5 CEBDMN Cc1nc2ccc(NC(=O)c3cc([N+](=O)[O-])c[nH]3)cc2[nH]1 ZINC000055229783 343600384 /nfs/dbraw/zinc/60/03/84/343600384.db2.gz PIMGPTXGQRHYQH-UHFFFAOYSA-N 0 1 285.263 2.360 20 5 CEBDMN CCN1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])c(C)s2)C1 ZINC000048753668 362301187 /nfs/dbraw/zinc/30/11/87/362301187.db2.gz ALJVRNIZJPDIMY-JTQLQIEISA-N 0 1 297.380 2.179 20 5 CEBDMN Cc1ccc(-c2ncco2)cc1NC(=O)[C@@H]1C[C@@H]1[N+](=O)[O-] ZINC000089618299 344126268 /nfs/dbraw/zinc/12/62/68/344126268.db2.gz QMNQPHXOEPZNNN-PWSUYJOCSA-N 0 1 287.275 2.254 20 5 CEBDMN CCOc1ccc([N+](=O)[O-])cc1CNC[C@@H]1CCCO1 ZINC000101588962 344249069 /nfs/dbraw/zinc/24/90/69/344249069.db2.gz PATHNKMDUVCFJJ-ZDUSSCGKSA-N 0 1 280.324 2.262 20 5 CEBDMN CC[C@@]1(C)CCCN(Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602473105 347047722 /nfs/dbraw/zinc/04/77/22/347047722.db2.gz JUJVMCWGYBZQAA-ZDUSSCGKSA-N 0 1 266.345 2.340 20 5 CEBDMN CC(C)(C)OCCNCc1ccccc1[N+](=O)[O-] ZINC000122223027 344305550 /nfs/dbraw/zinc/30/55/50/344305550.db2.gz VYIWLTRRRUJVCV-UHFFFAOYSA-N 0 1 252.314 2.500 20 5 CEBDMN CC[C@H](CO)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000049963354 362387742 /nfs/dbraw/zinc/38/77/42/362387742.db2.gz XTSFWROCRUOQGD-SECBINFHSA-N 0 1 258.705 2.109 20 5 CEBDMN O=[N+]([O-])c1ccccc1CNCCOCC(F)(F)F ZINC000050015720 362389845 /nfs/dbraw/zinc/38/98/45/362389845.db2.gz ULBVRXLFJIOTMM-UHFFFAOYSA-N 0 1 278.230 2.263 20 5 CEBDMN Cc1c(C[N@@H+]2CC[C@H](C(=O)[O-])[C@H]2C)cccc1[N+](=O)[O-] ZINC000227576559 344554933 /nfs/dbraw/zinc/55/49/33/344554933.db2.gz AAJOFNXWAKZYNV-PWSUYJOCSA-N 0 1 278.308 2.198 20 5 CEBDMN CN1CCC[C@@H]1CNc1c(Cl)cncc1[N+](=O)[O-] ZINC000310670873 344730995 /nfs/dbraw/zinc/73/09/95/344730995.db2.gz HLGHKEJCQDZCLX-MRVPVSSYSA-N 0 1 270.720 2.149 20 5 CEBDMN O=[N+]([O-])c1ccsc1N[C@@H]1CCc2[nH]cnc2C1 ZINC000589606248 345088659 /nfs/dbraw/zinc/08/86/59/345088659.db2.gz ZJISUFCCULJGAY-SSDOTTSWSA-N 0 1 264.310 2.349 20 5 CEBDMN COc1ccc([N+](=O)[O-])c(-c2nc([C@@H]3CCCN3)no2)c1 ZINC000592357380 345344855 /nfs/dbraw/zinc/34/48/55/345344855.db2.gz ZGDDXWNQMIQMEL-JTQLQIEISA-N 0 1 290.279 2.078 20 5 CEBDMN O=[N+]([O-])c1ccc(CN2CCC(C3(O)CC3)CC2)cc1 ZINC000593048687 345428593 /nfs/dbraw/zinc/42/85/93/345428593.db2.gz FKYMABNAVFOPLJ-UHFFFAOYSA-N 0 1 276.336 2.332 20 5 CEBDMN CN(CCN1CCCCC1)c1ncc([N+](=O)[O-])cc1F ZINC000593514434 345501549 /nfs/dbraw/zinc/50/15/49/345501549.db2.gz ACMCWUCJVDTGBP-UHFFFAOYSA-N 0 1 282.319 2.051 20 5 CEBDMN CC[C@H](C(=O)[O-])[N@@H+](C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000593288558 345462524 /nfs/dbraw/zinc/46/25/24/345462524.db2.gz MLIAVDBBNKUQBY-SNVBAGLBSA-N 0 1 270.260 2.029 20 5 CEBDMN O=[N+]([O-])c1ccc([O-])cc1C[N@@H+]1CCCCC[C@H]1CO ZINC000594017437 345568200 /nfs/dbraw/zinc/56/82/00/345568200.db2.gz ZYFRWBLYNCJILC-LBPRGKRZSA-N 0 1 280.324 2.037 20 5 CEBDMN CC(C)N1CCN(Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595293052 345755920 /nfs/dbraw/zinc/75/59/20/345755920.db2.gz WSEOYRNIAVHADE-UHFFFAOYSA-N 0 1 281.331 2.260 20 5 CEBDMN COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@@H]1CO[C@H](C)C1 ZINC000595046721 345734668 /nfs/dbraw/zinc/73/46/68/345734668.db2.gz QQQJDZZGNLGFCC-VWYCJHECSA-N 0 1 280.324 2.431 20 5 CEBDMN O=[N+]([O-])c1cc(F)ccc1CN1CCC[C@@H]1CCO ZINC000595450584 345786003 /nfs/dbraw/zinc/78/60/03/345786003.db2.gz UWTAJOCMGOZPAG-GFCCVEGCSA-N 0 1 268.288 2.081 20 5 CEBDMN CCO[C@H]1COCC[C@H]1NCc1ccc(F)cc1[N+](=O)[O-] ZINC000595450639 345786257 /nfs/dbraw/zinc/78/62/57/345786257.db2.gz UQDMWRMIPVUSRN-OCCSQVGLSA-N 0 1 298.314 2.018 20 5 CEBDMN CO[C@]1(CO)CCCN([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000595660326 345841482 /nfs/dbraw/zinc/84/14/82/345841482.db2.gz FEDBOWUIHICBEF-SWLSCSKDSA-N 0 1 294.351 2.129 20 5 CEBDMN CO[C@]1(CO)CCCN([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000595660325 345840955 /nfs/dbraw/zinc/84/09/55/345840955.db2.gz FEDBOWUIHICBEF-IUODEOHRSA-N 0 1 294.351 2.129 20 5 CEBDMN C[C@H](O)[C@H]1CCCN1Cc1ccc([N+](=O)[O-])cc1F ZINC000595767148 345871036 /nfs/dbraw/zinc/87/10/36/345871036.db2.gz VJBQGKFGTAGLCV-TVQRCGJNSA-N 0 1 268.288 2.079 20 5 CEBDMN Cc1cc(N2CC[C@H](c3n[nH]c(C)n3)C2)c([N+](=O)[O-])s1 ZINC000596272711 345988500 /nfs/dbraw/zinc/98/85/00/345988500.db2.gz DRIPKWNNWGHAKR-VIFPVBQESA-N 0 1 293.352 2.385 20 5 CEBDMN Cc1cc(N2CC[C@H](c3nnc(C)[nH]3)C2)c([N+](=O)[O-])s1 ZINC000596272711 345988502 /nfs/dbraw/zinc/98/85/02/345988502.db2.gz DRIPKWNNWGHAKR-VIFPVBQESA-N 0 1 293.352 2.385 20 5 CEBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1C[C@@H]2CCCC[C@@H]21 ZINC000597828007 346236693 /nfs/dbraw/zinc/23/66/93/346236693.db2.gz HQNZXWVIFVKECW-ZANVPECISA-N 0 1 276.292 2.315 20 5 CEBDMN Cc1[nH]nc(C(=O)N2CCC[C@@H](C3CCC3)C2)c1[N+](=O)[O-] ZINC000598398438 346345388 /nfs/dbraw/zinc/34/53/88/346345388.db2.gz DXURLKKKWLYUEB-LLVKDONJSA-N 0 1 292.339 2.279 20 5 CEBDMN COc1cc([N+](=O)[O-])ccc1CN1CC[C@@H](C)[C@H](CO)C1 ZINC000598647128 346391928 /nfs/dbraw/zinc/39/19/28/346391928.db2.gz NRRXASZHNOLFKK-YPMHNXCESA-N 0 1 294.351 2.054 20 5 CEBDMN O=[N+]([O-])c1cc(CN[C@H]2CO[C@@H](C3CC3)C2)cs1 ZINC000599006286 346445587 /nfs/dbraw/zinc/44/55/87/346445587.db2.gz GJLWVLMTMPUWNI-GHMZBOCLSA-N 0 1 268.338 2.313 20 5 CEBDMN CN(CC1CN(C)C1)c1ccc2cnccc2c1[N+](=O)[O-] ZINC000599106658 346461182 /nfs/dbraw/zinc/46/11/82/346461182.db2.gz GDUCZWSIHSUWPZ-UHFFFAOYSA-N 0 1 286.335 2.141 20 5 CEBDMN CC1(C)CCC[C@@H]1CCNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000600160004 346609071 /nfs/dbraw/zinc/60/90/71/346609071.db2.gz NXZBWSQWLREGTB-SECBINFHSA-N 0 1 280.328 2.264 20 5 CEBDMN C[C@@]1(C(=O)[O-])CCC[N@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000600711848 346675800 /nfs/dbraw/zinc/67/58/00/346675800.db2.gz ZHPKCFFBEAUALE-ZDUSSCGKSA-N 0 1 282.271 2.173 20 5 CEBDMN CC[C@@H](C)CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000336812735 365852111 /nfs/dbraw/zinc/85/21/11/365852111.db2.gz SEXMHXBCYCVAJX-MRVPVSSYSA-N 0 1 290.316 2.058 20 5 CEBDMN O=[N+]([O-])c1cc2ccccc2nc1N1CC(N2CCCC2)C1 ZINC000601194267 346783363 /nfs/dbraw/zinc/78/33/63/346783363.db2.gz WPIQBEBTQHTCOB-UHFFFAOYSA-N 0 1 298.346 2.427 20 5 CEBDMN Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@@H]1c1ccc[nH]1 ZINC000602792085 347199895 /nfs/dbraw/zinc/19/98/95/347199895.db2.gz UTVIUQPKQBTWLJ-CYBMUJFWSA-N 0 1 289.339 2.265 20 5 CEBDMN CCN(C#N)CCN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000602801276 347205111 /nfs/dbraw/zinc/20/51/11/347205111.db2.gz MSTZVOYKMDJHKC-LLVKDONJSA-N 0 1 262.313 2.048 20 5 CEBDMN CCN(C#N)CCN[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000602806460 347207585 /nfs/dbraw/zinc/20/75/85/347207585.db2.gz UCTBSXOFXSEUIC-LLVKDONJSA-N 0 1 262.313 2.048 20 5 CEBDMN CN[C@@H](C)c1cn([C@H](C)c2cccc([N+](=O)[O-])c2)nn1 ZINC000603185626 347303206 /nfs/dbraw/zinc/30/32/06/347303206.db2.gz KSGYGBBUEZWXBA-VHSXEESVSA-N 0 1 275.312 2.076 20 5 CEBDMN O=C1[C@H]2CCCCCC2=NN1c1ccc([N+](=O)[O-])cn1 ZINC000603921530 347397987 /nfs/dbraw/zinc/39/79/87/347397987.db2.gz UIEXVISLTQPVBE-JTQLQIEISA-N 0 1 274.280 2.273 20 5 CEBDMN Cc1cnc(N2C[C@H]3CCCCN3C[C@H]2C)c([N+](=O)[O-])c1 ZINC000610283966 347669647 /nfs/dbraw/zinc/66/96/47/347669647.db2.gz FDEIEGDIHZJRFF-CHWSQXEVSA-N 0 1 290.367 2.361 20 5 CEBDMN C[C@@H]1CN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@H]1C ZINC000611272301 347761875 /nfs/dbraw/zinc/76/18/75/347761875.db2.gz ZYPSVSCAECOPBI-GHMZBOCLSA-N 0 1 292.335 2.454 20 5 CEBDMN O=C(NC[C@@H]1Cc2ccccc21)c1cc(O)cc([N+](=O)[O-])c1 ZINC000611555218 347794088 /nfs/dbraw/zinc/79/40/88/347794088.db2.gz RWBXOQNSLFYRIP-LBPRGKRZSA-N 0 1 298.298 2.370 20 5 CEBDMN O=C([O-])C[C@H]1CCC[N@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000086790834 179334540 /nfs/dbraw/zinc/33/45/40/179334540.db2.gz AOGJBXUJTBOETL-SECBINFHSA-N 0 1 270.310 2.095 20 5 CEBDMN Cc1ncc(CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)n1C ZINC000568783104 299153863 /nfs/dbraw/zinc/15/38/63/299153863.db2.gz MKQNWIRLFRVYPU-JTQLQIEISA-N 0 1 274.324 2.488 20 5 CEBDMN Cc1cc([N+](=O)[O-])ccc1CN(C)[C@H]1CCOC1 ZINC000273448067 192154686 /nfs/dbraw/zinc/15/46/86/192154686.db2.gz OFALYGXUNTWWES-ZDUSSCGKSA-N 0 1 250.298 2.124 20 5 CEBDMN Cc1cc(C)c([N+](=O)[O-])c(Nc2cc(C3CC3)n(C)n2)n1 ZINC000357621705 233110891 /nfs/dbraw/zinc/11/08/91/233110891.db2.gz BLZYCWXXVWQXIU-UHFFFAOYSA-N 0 1 287.323 2.383 20 5 CEBDMN COCC[C@]1(NCc2c(F)cccc2[N+](=O)[O-])CCOC1 ZINC000618551184 348973737 /nfs/dbraw/zinc/97/37/37/348973737.db2.gz ZXFDNUWIWBEKTB-AWEZNQCLSA-N 0 1 298.314 2.019 20 5 CEBDMN COC(=O)Cn1ncc(Nc2sccc2[N+](=O)[O-])c1C ZINC000619502573 349189607 /nfs/dbraw/zinc/18/96/07/349189607.db2.gz BWMNBUWFDARJPK-UHFFFAOYSA-N 0 1 296.308 2.078 20 5 CEBDMN CCc1nn(C)cc1CNCc1cccc([N+](=O)[O-])c1 ZINC000092375531 180371181 /nfs/dbraw/zinc/37/11/81/180371181.db2.gz KWNLCTCNCRGPIQ-UHFFFAOYSA-N 0 1 274.324 2.181 20 5 CEBDMN Cc1cccc2nc(CNc3ncc([N+](=O)[O-])s3)[nH]c21 ZINC000337020641 365989372 /nfs/dbraw/zinc/98/93/72/365989372.db2.gz QSIVBQSPAFTFEF-UHFFFAOYSA-N 0 1 289.320 2.270 20 5 CEBDMN C[C@H](c1ccccc1[N+](=O)[O-])N(C)CCn1cccn1 ZINC000072631050 363152886 /nfs/dbraw/zinc/15/28/86/363152886.db2.gz NITPWOPRTNFNKZ-GFCCVEGCSA-N 0 1 274.324 2.484 20 5 CEBDMN CCC(CC)N(CC)C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000292046513 198143990 /nfs/dbraw/zinc/14/39/90/198143990.db2.gz FPZODVQUGCJUDA-UHFFFAOYSA-N 0 1 268.317 2.277 20 5 CEBDMN CC(C)CC1(CNC(=O)c2n[nH]cc2[N+](=O)[O-])CCC1 ZINC000153834876 188106195 /nfs/dbraw/zinc/10/61/95/188106195.db2.gz MJAKYUGNXXTKGC-UHFFFAOYSA-N 0 1 280.328 2.264 20 5 CEBDMN O=[N+]([O-])c1ccc(Cl)c(CNC2(CO)CCC2)c1 ZINC000133154364 366199432 /nfs/dbraw/zinc/19/94/32/366199432.db2.gz ACDKVQLIUIRDMX-UHFFFAOYSA-N 0 1 270.716 2.253 20 5 CEBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CC[C@H]1C1CC1 ZINC000452495836 283302572 /nfs/dbraw/zinc/30/25/72/283302572.db2.gz DZAMYRRCHAXKFL-LBPRGKRZSA-N 0 1 286.291 2.096 20 5 CEBDMN O=[N+]([O-])c1ccc(NCCCc2nc[nH]n2)c(Cl)c1 ZINC000080588482 363672471 /nfs/dbraw/zinc/67/24/71/363672471.db2.gz AOYDYTRUIVJIRH-UHFFFAOYSA-N 0 1 281.703 2.411 20 5 CEBDMN CCCn1nccc1NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356340163 370666778 /nfs/dbraw/zinc/66/67/78/370666778.db2.gz MRKPLHMUMAFZOS-UHFFFAOYSA-N 0 1 290.279 2.159 20 5 CEBDMN CC[C@H]1C[N@H+](Cc2cc([O-])ccc2[N+](=O)[O-])CCCO1 ZINC000339155981 366680295 /nfs/dbraw/zinc/68/02/95/366680295.db2.gz DZKTVCXEAPBPDT-ZDUSSCGKSA-N 0 1 280.324 2.301 20 5 CEBDMN CC[C@H]1C[N@@H+](Cc2cc([O-])ccc2[N+](=O)[O-])CCCO1 ZINC000339155981 366680300 /nfs/dbraw/zinc/68/03/00/366680300.db2.gz DZKTVCXEAPBPDT-ZDUSSCGKSA-N 0 1 280.324 2.301 20 5 CEBDMN CCCc1[nH]nc(C(=O)N2CCC(C)(C)C2)c1[N+](=O)[O-] ZINC000081350663 363714367 /nfs/dbraw/zinc/71/43/67/363714367.db2.gz FFTJYGQWEXXFPF-UHFFFAOYSA-N 0 1 280.328 2.143 20 5 CEBDMN CC[C@@H](C)NC(=O)CN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180427358 189254833 /nfs/dbraw/zinc/25/48/33/189254833.db2.gz NLIWOQSQKJZYPY-MNOVXSKESA-N 0 1 279.340 2.160 20 5 CEBDMN O=C([O-])[C@@H]1CCCC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000003756184 361290001 /nfs/dbraw/zinc/29/00/01/361290001.db2.gz OWNCQZHGAGEWBJ-LBPRGKRZSA-N 0 1 264.281 2.034 20 5 CEBDMN CC1(C)CN(CCOc2ccccc2[N+](=O)[O-])CC[C@@H]1O ZINC000275498290 193058890 /nfs/dbraw/zinc/05/88/90/193058890.db2.gz QNSKPSJIXFTOER-AWEZNQCLSA-N 0 1 294.351 2.066 20 5 CEBDMN CCCC[C@H](CC)CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000159671152 366937512 /nfs/dbraw/zinc/93/75/12/366937512.db2.gz NAQRNWYFIPOVMU-VIFPVBQESA-N 0 1 268.317 2.264 20 5 CEBDMN C[C@H]1CN(C)CCN1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000341470086 367348674 /nfs/dbraw/zinc/34/86/74/367348674.db2.gz LIQYISMLTZAHOF-JTQLQIEISA-N 0 1 283.759 2.384 20 5 CEBDMN CCCN1CCN(c2c(C)cccc2[N+](=O)[O-])CC1 ZINC000171232495 367500185 /nfs/dbraw/zinc/50/01/85/367500185.db2.gz WLNIXCYWWKOTAN-UHFFFAOYSA-N 0 1 263.341 2.435 20 5 CEBDMN C[C@@H]1CSCCN1CCOc1ccccc1[N+](=O)[O-] ZINC000172590973 367781956 /nfs/dbraw/zinc/78/19/56/367781956.db2.gz PNTUMNRZFJXPOO-LLVKDONJSA-N 0 1 282.365 2.411 20 5 CEBDMN Cc1cccc2nc(CNc3ccncc3[N+](=O)[O-])[nH]c21 ZINC000345191188 368187700 /nfs/dbraw/zinc/18/77/00/368187700.db2.gz PSXQRFNFDQNBLD-UHFFFAOYSA-N 0 1 283.291 2.209 20 5 CEBDMN COCCO[C@H]1CCCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000179341212 368333554 /nfs/dbraw/zinc/33/35/54/368333554.db2.gz DKXGDKWNCBIRMW-HNNXBMFYSA-N 0 1 294.351 2.222 20 5 CEBDMN CC[C@H](NC1CN(C(=O)OC)C1)c1cccc([N+](=O)[O-])c1 ZINC000181474576 368460001 /nfs/dbraw/zinc/46/00/01/368460001.db2.gz DGCMFUOEQRZTQH-ZDUSSCGKSA-N 0 1 293.323 2.086 20 5 CEBDMN CNC(=O)[C@@H](C)CN(C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182211657 368535206 /nfs/dbraw/zinc/53/52/06/368535206.db2.gz CGSCPJOMXFHIBL-VIFPVBQESA-N 0 1 299.758 2.062 20 5 CEBDMN C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@@H](C)[C@H](O)C1 ZINC000330658910 203088631 /nfs/dbraw/zinc/08/86/31/203088631.db2.gz PIPRZNZFXLSSLT-JTNHKYCSSA-N 0 1 264.325 2.359 20 5 CEBDMN Cc1[nH]nc(C(=O)N(C)C[C@@H]2CC=CCC2)c1[N+](=O)[O-] ZINC000330821677 203278332 /nfs/dbraw/zinc/27/83/32/203278332.db2.gz NOWPRWZESSFARP-SNVBAGLBSA-N 0 1 278.312 2.055 20 5 CEBDMN CN(Cc1ccccc1[N+](=O)[O-])C[C@H](O)CC(F)(F)F ZINC000188618601 369383755 /nfs/dbraw/zinc/38/37/55/369383755.db2.gz WVOFIPBNSZDGCK-SNVBAGLBSA-N 0 1 292.257 2.340 20 5 CEBDMN COc1ccc([N+](=O)[O-])cc1CN(C)C[C@H]1CCC[C@H]1O ZINC000246422989 370958885 /nfs/dbraw/zinc/95/88/85/370958885.db2.gz IIBHILGGTNGULJ-BXUZGUMPSA-N 0 1 294.351 2.196 20 5 CEBDMN O=[N+]([O-])c1ccccc1CN1CCS[C@H]2COCC[C@H]21 ZINC000246548642 370975352 /nfs/dbraw/zinc/97/53/52/370975352.db2.gz AWWKIFBNYAVXSZ-KGLIPLIRSA-N 0 1 294.376 2.301 20 5 CEBDMN C[C@]1(CO)CCC[C@H]1NCc1c(F)cccc1[N+](=O)[O-] ZINC000351495041 369636975 /nfs/dbraw/zinc/63/69/75/369636975.db2.gz PNGKDQCMDGWOFU-ZIAGYGMSSA-N 0 1 282.315 2.375 20 5 CEBDMN CCN(C)C(=O)[C@H](C)NC/C=C\c1ccccc1[N+](=O)[O-] ZINC000353189746 370063144 /nfs/dbraw/zinc/06/31/44/370063144.db2.gz GOIGPHABQZZHAT-UPZNUWHASA-N 0 1 291.351 2.064 20 5 CEBDMN COc1cc(CN(C)C[C@@H](C)OC)ccc1[N+](=O)[O-] ZINC000353205738 370071762 /nfs/dbraw/zinc/07/17/62/370071762.db2.gz PYFHICSIORCJLO-SNVBAGLBSA-N 0 1 268.313 2.070 20 5 CEBDMN O=[N+]([O-])c1ccc(CNCCOC(F)(F)F)c(F)c1 ZINC000353231014 370086451 /nfs/dbraw/zinc/08/64/51/370086451.db2.gz IXNNIYAAURMWAA-UHFFFAOYSA-N 0 1 282.193 2.360 20 5 CEBDMN O=[N+]([O-])c1cc(Cl)ccc1CN1C[C@@H]2CC[C@@H](O)[C@H]2C1 ZINC000252884448 371486688 /nfs/dbraw/zinc/48/66/88/371486688.db2.gz WNGPWWGDDZTOTD-DUFXMDAXSA-N 0 1 296.754 2.451 20 5 CEBDMN CCc1nc([C@@H](C)Nc2ccccc2[N+](=O)[O-])n[nH]1 ZINC000270623584 372871718 /nfs/dbraw/zinc/87/17/18/372871718.db2.gz CYGSCBRUAVMXPU-MRVPVSSYSA-N 0 1 261.285 2.448 20 5 CEBDMN CC(C)CCOCCNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272589133 373563975 /nfs/dbraw/zinc/56/39/75/373563975.db2.gz VKSOBMIPFNSZJK-UHFFFAOYSA-N 0 1 296.323 2.093 20 5 CEBDMN C[C@@H]1[C@@H](C)CCN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272680144 373612309 /nfs/dbraw/zinc/61/23/09/373612309.db2.gz NFLBJIBSCYKZRX-DTWKUNHWSA-N 0 1 264.281 2.171 20 5 CEBDMN Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCOC[C@H](C)C1 ZINC000371893151 374000850 /nfs/dbraw/zinc/00/08/50/374000850.db2.gz DORJRJYLVBLYKN-LLVKDONJSA-N 0 1 264.325 2.372 20 5 CEBDMN O=C(NCc1cccc(-c2ccccn2)c1)[C@H]1CC1[N+](=O)[O-] ZINC000378249860 375054394 /nfs/dbraw/zinc/05/43/94/375054394.db2.gz HCJMYBIGYNWPIN-ZFWWWQNUSA-N 0 1 297.314 2.030 20 5 CEBDMN C[C@@H]1C[C@@H](O)C[C@H](C)N1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000282520508 375507248 /nfs/dbraw/zinc/50/72/48/375507248.db2.gz PKCJDHCCQCYNAH-PEGIJTEDSA-N 0 1 282.315 2.468 20 5 CEBDMN Cc1nc([C@@H](C)Nc2ncc(Cl)cc2[N+](=O)[O-])n[nH]1 ZINC000286221703 375876599 /nfs/dbraw/zinc/87/65/99/375876599.db2.gz BUNRHBCBLDTILG-RXMQYKEDSA-N 0 1 282.691 2.243 20 5 CEBDMN NC1(c2noc(-c3cc(F)cc([N+](=O)[O-])c3)n2)CCC1 ZINC000414631384 375890526 /nfs/dbraw/zinc/89/05/26/375890526.db2.gz WPJKPZVDVHEKGY-UHFFFAOYSA-N 0 1 278.243 2.122 20 5 CEBDMN Cc1ccc(CN2CC[C@H](CO)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000290067295 376628049 /nfs/dbraw/zinc/62/80/49/376628049.db2.gz FOVAKEVBQBQYDK-JSGCOSHPSA-N 0 1 278.352 2.496 20 5 CEBDMN CCN1CCCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])s1 ZINC000264688532 190129376 /nfs/dbraw/zinc/12/93/76/190129376.db2.gz MBFASDPPHOUKJJ-SNVBAGLBSA-N 0 1 297.380 2.261 20 5 CEBDMN CO[C@@H]1C[N@H+](Cc2cc([O-])ccc2[N+](=O)[O-])CC[C@@H]1C ZINC000330458981 377143272 /nfs/dbraw/zinc/14/32/72/377143272.db2.gz SMFYAQQJFFBKKA-IINYFYTJSA-N 0 1 280.324 2.157 20 5 CEBDMN CO[C@@H]1C[N@@H+](Cc2cc([O-])ccc2[N+](=O)[O-])CC[C@@H]1C ZINC000330458981 377143283 /nfs/dbraw/zinc/14/32/83/377143283.db2.gz SMFYAQQJFFBKKA-IINYFYTJSA-N 0 1 280.324 2.157 20 5 CEBDMN CC[C@H]1CCCN1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000330504292 377161595 /nfs/dbraw/zinc/16/15/95/377161595.db2.gz DQMUKBPOIYCYIA-LBPRGKRZSA-N 0 1 291.351 2.432 20 5 CEBDMN Cc1[nH]nc(C(=O)N(CC(C)C)CC(C)C)c1[N+](=O)[O-] ZINC000264839155 190137967 /nfs/dbraw/zinc/13/79/67/190137967.db2.gz AGWSKIWWWVJMHZ-UHFFFAOYSA-N 0 1 282.344 2.381 20 5 CEBDMN CCCc1[nH]nc(C(=O)N2CC[C@H]2C(C)C)c1[N+](=O)[O-] ZINC000331444469 377431202 /nfs/dbraw/zinc/43/12/02/377431202.db2.gz WJILZLULHBFCGY-JTQLQIEISA-N 0 1 280.328 2.141 20 5 CEBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+](C)CCC(=O)[O-] ZINC000565254577 377627930 /nfs/dbraw/zinc/62/79/30/377627930.db2.gz QBQZTOVDMDWGRP-JTQLQIEISA-N 0 1 266.297 2.371 20 5 CEBDMN CCCc1[nH]nc(C(=O)N2CCC(CF)CC2)c1[N+](=O)[O-] ZINC000295826472 378320695 /nfs/dbraw/zinc/32/06/95/378320695.db2.gz UQBQXLNTGFNULH-UHFFFAOYSA-N 0 1 298.318 2.092 20 5 CEBDMN Cc1ncc(CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)c(=O)[nH]1 ZINC000346801731 218018676 /nfs/dbraw/zinc/01/86/76/218018676.db2.gz CEWXKBWMJIMDKY-VIFPVBQESA-N 0 1 288.307 2.250 20 5 CEBDMN C[C@H]1CCC[N@@H+](CCNC(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000298765018 378824200 /nfs/dbraw/zinc/82/42/00/378824200.db2.gz SAXGAWUYWAKZTF-JTQLQIEISA-N 0 1 297.380 2.118 20 5 CEBDMN CC(C)(C)CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000299117253 378905865 /nfs/dbraw/zinc/90/58/65/378905865.db2.gz XYIZSYGJUUCSGH-UHFFFAOYSA-N 0 1 276.296 2.247 20 5 CEBDMN CCCN(CC(C)C)C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000299533492 379034786 /nfs/dbraw/zinc/03/47/86/379034786.db2.gz MMXKWKQILSNMST-UHFFFAOYSA-N 0 1 268.317 2.135 20 5 CEBDMN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@H](C)C1 ZINC000299590759 379057016 /nfs/dbraw/zinc/05/70/16/379057016.db2.gz DUZDAKZYFPHRKM-QWRGUYRKSA-N 0 1 277.324 2.264 20 5 CEBDMN C[C@H](C1CC1)n1cc(Nc2ncc([N+](=O)[O-])cn2)cn1 ZINC000302429665 379373239 /nfs/dbraw/zinc/37/32/39/379373239.db2.gz OJWHPSVWVCJMGY-MRVPVSSYSA-N 0 1 274.284 2.296 20 5 CEBDMN Cc1c(CNc2ccncc2C(N)=O)cccc1[N+](=O)[O-] ZINC000302728386 379438743 /nfs/dbraw/zinc/43/87/43/379438743.db2.gz QJNOCZWXOKMQRT-UHFFFAOYSA-N 0 1 286.291 2.009 20 5 CEBDMN CC1(C)CCCN1CCNC(=O)c1ccc([N+](=O)[O-])s1 ZINC000457078149 379653858 /nfs/dbraw/zinc/65/38/58/379653858.db2.gz QOAZVMDKEMOVJM-UHFFFAOYSA-N 0 1 297.380 2.261 20 5 CEBDMN Cc1nc(CCNc2ccc([N+](=O)[O-])cc2Cl)n[nH]1 ZINC000267515907 190335485 /nfs/dbraw/zinc/33/54/85/190335485.db2.gz NNUIFTZNVPTSEX-UHFFFAOYSA-N 0 1 281.703 2.329 20 5 CEBDMN Cc1nnc(CCNc2ccc([N+](=O)[O-])cc2Cl)[nH]1 ZINC000267515907 190335486 /nfs/dbraw/zinc/33/54/86/190335486.db2.gz NNUIFTZNVPTSEX-UHFFFAOYSA-N 0 1 281.703 2.329 20 5 CEBDMN CC[C@@H]1CN(C)CCN1c1ccc(F)cc1[N+](=O)[O-] ZINC000549261886 380597278 /nfs/dbraw/zinc/59/72/78/380597278.db2.gz WCFZLEHMWGVUIY-LLVKDONJSA-N 0 1 267.304 2.264 20 5 CEBDMN O=[N+]([O-])c1ccc(F)cc1N1CC[C@H](N2CC=CC2)C1 ZINC000302820775 285118956 /nfs/dbraw/zinc/11/89/56/285118956.db2.gz PWYXFBHJWLGMQZ-LBPRGKRZSA-N 0 1 277.299 2.184 20 5 CEBDMN CCN(Cc1ccccc1[N+](=O)[O-])C[C@@H](C)OC ZINC000272869898 285118989 /nfs/dbraw/zinc/11/89/89/285118989.db2.gz ZHBGCDXFBRETHU-LLVKDONJSA-N 0 1 252.314 2.452 20 5 CEBDMN CC[C@H]1CN(CCOc2ccccc2[N+](=O)[O-])CCCO1 ZINC000281332072 195200917 /nfs/dbraw/zinc/20/09/17/195200917.db2.gz JKRASHSVFKZZMP-ZDUSSCGKSA-N 0 1 294.351 2.475 20 5 CEBDMN C[C@H](O)C[C@@H]1CCCN1Cc1c(F)cccc1[N+](=O)[O-] ZINC000305228762 394503550 /nfs/dbraw/zinc/50/35/50/394503550.db2.gz QFDAKJGXFWBRSI-QWRGUYRKSA-N 0 1 282.315 2.469 20 5 CEBDMN Cc1cc([N+](=O)[O-])ccc1CN1CC[C@@]12CCOC2 ZINC000421400015 394524332 /nfs/dbraw/zinc/52/43/32/394524332.db2.gz JIRMMMHQYBDGGR-AWEZNQCLSA-N 0 1 262.309 2.268 20 5 CEBDMN CS[C@H]1CC[N@@H+](Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000331301816 394630398 /nfs/dbraw/zinc/63/03/98/394630398.db2.gz CFBCJLYEJISGMB-NSHDSACASA-N 0 1 268.338 2.238 20 5 CEBDMN COc1ccc([N+](=O)[O-])c(N2C[C@H](C)N(C)[C@@H](C)C2)c1 ZINC000338783234 394929002 /nfs/dbraw/zinc/92/90/02/394929002.db2.gz FXMCBUDDHJSGQN-QWRGUYRKSA-N 0 1 279.340 2.132 20 5 CEBDMN O=[N+]([O-])c1ccccc1CN(CCO)[C@H]1CCCSC1 ZINC000439015318 395245206 /nfs/dbraw/zinc/24/52/06/395245206.db2.gz PGSZXBWTOKDBNO-ZDUSSCGKSA-N 0 1 296.392 2.285 20 5 CEBDMN CCc1nc(CNCC=Cc2ccccc2[N+](=O)[O-])n[nH]1 ZINC000296213571 395311371 /nfs/dbraw/zinc/31/13/71/395311371.db2.gz ZXMNFHLIBKTFBV-FNORWQNLSA-N 0 1 287.323 2.078 20 5 CEBDMN CC1=CCN(CCNC(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000355349678 395417781 /nfs/dbraw/zinc/41/77/81/395417781.db2.gz BBHVDYHWPYJQSD-UHFFFAOYSA-N 0 1 295.364 2.038 20 5 CEBDMN CCc1[nH]nc(C(=O)N(C)[C@@H]2CC[C@H](C)C2)c1[N+](=O)[O-] ZINC000444403494 395430835 /nfs/dbraw/zinc/43/08/35/395430835.db2.gz NOSWALMYAYNGRC-DTWKUNHWSA-N 0 1 280.328 2.141 20 5 CEBDMN Cc1ccc([C@@H]2CCN(C(=O)[C@H]3CC3[N+](=O)[O-])C2)c(C)c1 ZINC000373442023 292217980 /nfs/dbraw/zinc/21/79/80/292217980.db2.gz JDVQRHNJUKYSCF-SNPRPXQTSA-N 0 1 288.347 2.285 20 5 CEBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCCC12CCCCCC2 ZINC000378509759 304382980 /nfs/dbraw/zinc/38/29/80/304382980.db2.gz VRFFQPKSAUWKST-NEPJUHHUSA-N 0 1 266.341 2.367 20 5 CEBDMN C[C@@H](C(=O)[O-])[N@@H+](CCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000263329108 154057984 /nfs/dbraw/zinc/05/79/84/154057984.db2.gz LLZLTNWCJWYPNM-JTQLQIEISA-N 0 1 278.308 2.075 20 5 CEBDMN O=[N+]([O-])c1ccc(N2CCN3CCC2CC3)c(F)c1 ZINC000302762095 154194706 /nfs/dbraw/zinc/19/47/06/154194706.db2.gz KLPVPBKNGKABDJ-UHFFFAOYSA-N 0 1 265.288 2.018 20 5 CEBDMN CC[N@@H+](CCC(=O)[O-])Cc1cccc([N+](=O)[O-])c1C ZINC000038024190 174006912 /nfs/dbraw/zinc/00/69/12/174006912.db2.gz BQYMVMDJSZVFNI-UHFFFAOYSA-N 0 1 266.297 2.200 20 5 CEBDMN CN1CCC[C@H](NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000040690808 174376998 /nfs/dbraw/zinc/37/69/98/174376998.db2.gz VSIGQXINPGUTJX-JTQLQIEISA-N 0 1 297.742 2.072 20 5 CEBDMN Cc1nc([C@H](C)Nc2c3ccccc3ncc2[N+](=O)[O-])n[nH]1 ZINC000392702022 270341592 /nfs/dbraw/zinc/34/15/92/270341592.db2.gz VQMVAUNCKRWLIT-QMMMGPOBSA-N 0 1 298.306 2.165 20 5 CEBDMN COc1ccc(CN2C[C@H](CO)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000398697963 270361641 /nfs/dbraw/zinc/36/16/41/270361641.db2.gz RXEJVRZBTSLHRN-WCQYABFASA-N 0 1 294.351 2.054 20 5 CEBDMN C[C@@H]1CN(C)CCN1c1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000408431755 274333460 /nfs/dbraw/zinc/33/34/60/274333460.db2.gz BNFXALZYTFOGLO-LLVKDONJSA-N 0 1 286.335 2.283 20 5 CEBDMN CC(C)c1[nH]nc(C(=O)N2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000269369436 276040799 /nfs/dbraw/zinc/04/07/99/276040799.db2.gz YDRXZYKJPDBTHE-VIFPVBQESA-N 0 1 280.328 2.313 20 5 CEBDMN CC(C)c1[nH]nc(C(=O)N2C[C@@H](C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000408399899 278001061 /nfs/dbraw/zinc/00/10/61/278001061.db2.gz MDFCCRVOZZWRTC-IUCAKERBSA-N 0 1 280.328 2.312 20 5 CEBDMN C[C@@H](O)[C@@H]1CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000136321070 280060477 /nfs/dbraw/zinc/06/04/77/280060477.db2.gz ZLDUMZZZAXAEEV-VXGBXAGGSA-N 0 1 264.325 2.188 20 5 CEBDMN Cn1c(-c2nc(C3(N)CCCCC3)no2)ccc1[N+](=O)[O-] ZINC000424349751 281152113 /nfs/dbraw/zinc/15/21/13/281152113.db2.gz WKOUCZXQKJQMRG-UHFFFAOYSA-N 0 1 291.311 2.101 20 5 CEBDMN O=C(CN1CC[C@H]2CCC[C@H]21)Nc1ccccc1[N+](=O)[O-] ZINC000426463898 281194225 /nfs/dbraw/zinc/19/42/25/281194225.db2.gz VIZZXLHCRBTADT-DGCLKSJQSA-N 0 1 289.335 2.408 20 5 CEBDMN C[C@H]1C[C@@H](O)CCN1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000430137765 281265961 /nfs/dbraw/zinc/26/59/61/281265961.db2.gz WYYZTERURLYKAU-QMDMKJMKSA-N 0 1 276.336 2.453 20 5 CEBDMN Cc1cc(N[C@@H]2CO[C@@H](C)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000402029782 289288925 /nfs/dbraw/zinc/28/89/25/289288925.db2.gz IAUNPVBVYRZJMC-QWRGUYRKSA-N 0 1 287.319 2.463 20 5 CEBDMN CC(C)C[N@@H+](CCOc1ccccc1[N+](=O)[O-])CC(=O)[O-] ZINC000567359203 299057062 /nfs/dbraw/zinc/05/70/62/299057062.db2.gz NHLZXIBTSQEGJA-UHFFFAOYSA-N 0 1 296.323 2.016 20 5 CEBDMN O=[N+]([O-])c1ccc([O-])cc1C[N@@H+](C[C@@H]1CCOC1)C1CC1 ZINC000577001414 314331435 /nfs/dbraw/zinc/33/14/35/314331435.db2.gz UHSFISHVPADLQN-NSHDSACASA-N 0 1 292.335 2.301 20 5 CEBDMN CC(C)C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)CC(=O)[O-] ZINC000580456744 322319726 /nfs/dbraw/zinc/31/97/26/322319726.db2.gz OVXKRVRQSHGUQT-UHFFFAOYSA-N 0 1 296.323 2.016 20 5 CEBDMN CCOc1cc(C[N@@H+](CC)CCC(=O)[O-])ccc1[N+](=O)[O-] ZINC000581197159 322377296 /nfs/dbraw/zinc/37/72/96/322377296.db2.gz WWKQBVGNYPHJEF-UHFFFAOYSA-N 0 1 296.323 2.290 20 5 CEBDMN COc1cc(CN2CCC[C@H](CO)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000412093959 533807532 /nfs/dbraw/zinc/80/75/32/533807532.db2.gz SAPDEDVMLOIXFX-WCQYABFASA-N 0 1 294.351 2.196 20 5 CEBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@H]1C1CCCCC1 ZINC000363439277 526508588 /nfs/dbraw/zinc/50/85/88/526508588.db2.gz DLSFTRNEXMWEOH-FRRDWIJNSA-N 0 1 266.341 2.223 20 5 CEBDMN O=[N+]([O-])c1ccccc1CN1CCC12CCOCC2 ZINC000365662603 527401606 /nfs/dbraw/zinc/40/16/06/527401606.db2.gz JHZWSBCZHXOPBZ-UHFFFAOYSA-N 0 1 262.309 2.350 20 5 CEBDMN CC(C)NC(=O)CN[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192617131 529132866 /nfs/dbraw/zinc/13/28/66/529132866.db2.gz KVAAQAXSEJITPZ-AWEZNQCLSA-N 0 1 291.351 2.086 20 5 CEBDMN CCc1nc(COC(=O)c2ccc([N+](=O)[O-])[nH]2)cs1 ZINC000730707159 574525935 /nfs/dbraw/zinc/52/59/35/574525935.db2.gz RUKWGJJSCABLOT-UHFFFAOYSA-N 0 1 281.293 2.299 20 5 CEBDMN Cc1occc1COC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000733700488 574684629 /nfs/dbraw/zinc/68/46/29/574684629.db2.gz ARWSGQIKOXRALB-UHFFFAOYSA-N 0 1 250.210 2.181 20 5 CEBDMN O=[N+]([O-])c1ccc(Cl)c(CN[C@H](CO)C2CC2)c1 ZINC000734160966 574703781 /nfs/dbraw/zinc/70/37/81/574703781.db2.gz ISLWENSHYDEYMU-GFCCVEGCSA-N 0 1 270.716 2.109 20 5 CEBDMN CN(Cc1ccoc1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000749686178 575229478 /nfs/dbraw/zinc/22/94/78/575229478.db2.gz FWHDLRRZGHWVQA-AWEZNQCLSA-N 0 1 276.292 2.353 20 5 CEBDMN C[C@H]1C[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1C(=O)[O-] ZINC000251820475 601515567 /nfs/dbraw/zinc/51/55/67/601515567.db2.gz OXVYSRGSJUNADB-GZMMTYOYSA-N 0 1 298.726 2.401 20 5 CEBDMN Cc1c(C[N@H+](C)[C@@H]2CCN(C(=O)[O-])C2)cccc1[N+](=O)[O-] ZINC000829859575 603486629 /nfs/dbraw/zinc/48/66/29/603486629.db2.gz OKYICQOMDPJWAZ-GFCCVEGCSA-N 0 1 293.323 2.087 20 5 CEBDMN O=C([O-])[C@H]1CC[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000819287009 604785887 /nfs/dbraw/zinc/78/58/87/604785887.db2.gz NGNFUUXQGPASQI-VIFPVBQESA-N 0 1 284.699 2.155 20 5 CEBDMN C[C@@H]1CC=CC[C@H]1NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000890768279 622946733 /nfs/dbraw/zinc/94/67/33/622946733.db2.gz CZLKFKNBLADGDX-NOZJJQNGSA-N 0 1 276.292 2.385 20 5 CEBDMN CC[N@H+]1CCN(c2ccc(C)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000804797081 622970654 /nfs/dbraw/zinc/97/06/54/622970654.db2.gz JXENSTYBBOCVIG-LBPRGKRZSA-N 0 1 263.341 2.434 20 5 CEBDMN CCN1CCN(c2ccc(C)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000804797081 622970657 /nfs/dbraw/zinc/97/06/57/622970657.db2.gz JXENSTYBBOCVIG-LBPRGKRZSA-N 0 1 263.341 2.434 20 5 CEBDMN COc1cc(F)c([N+](=O)[O-])c(N[C@H](C)c2n[nH]c(C)n2)c1 ZINC000804838885 623045926 /nfs/dbraw/zinc/04/59/26/623045926.db2.gz QTQPBYOZQWKNRJ-ZCFIWIBFSA-N 0 1 295.274 2.342 20 5 CEBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CC[C@H]1CO ZINC000934015693 624166306 /nfs/dbraw/zinc/16/63/06/624166306.db2.gz GFMNWTKIJLEKQX-PWSUYJOCSA-N 0 1 250.298 2.031 20 5 CEBDMN COC(=O)CC(C)(C)NCc1cc([N+](=O)[O-])ccc1OC ZINC000178324235 627880782 /nfs/dbraw/zinc/88/07/82/627880782.db2.gz XMJKNCCJXGQQSN-UHFFFAOYSA-N 0 1 296.323 2.035 20 5 CEBDMN Cc1cccc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1Br ZINC000840423490 634653858 /nfs/dbraw/zinc/65/38/58/634653858.db2.gz BVTYGZBHGLBKTH-VXNVDRBHSA-N 0 1 299.124 2.361 20 5 CEBDMN O=C(OC[C@H]1CC12CCC2)c1ccc([N+](=O)[O-])[nH]1 ZINC000893466325 628637502 /nfs/dbraw/zinc/63/75/02/628637502.db2.gz CXCSAZUSGGAHRW-MRVPVSSYSA-N 0 1 250.254 2.270 20 5 CEBDMN O=C(OC/C=C/c1cccc(F)c1)[C@@H]1CC1[N+](=O)[O-] ZINC000893547606 628728127 /nfs/dbraw/zinc/72/81/27/628728127.db2.gz LUKBWGHQFCJRHO-VNPHXJNISA-N 0 1 265.240 2.047 20 5 CEBDMN O=[N+]([O-])c1cc2c(cc1CN1CC[C@H](CF)C1)OCCO2 ZINC000895575503 630255790 /nfs/dbraw/zinc/25/57/90/630255790.db2.gz UVHFJKKDYPFOQO-SNVBAGLBSA-N 0 1 296.298 2.157 20 5 CEBDMN CC(C)c1ccc(CN2C[C@@H]3C[C@]3(O)C2)cc1[N+](=O)[O-] ZINC000895649371 630283893 /nfs/dbraw/zinc/28/38/93/630283893.db2.gz PSBSWKVHGYBVMX-WFASDCNBSA-N 0 1 276.336 2.285 20 5 CEBDMN CN1CC[C@@H]1CNc1ccc([N+](=O)[O-])cc1OC(F)F ZINC000895769698 630337585 /nfs/dbraw/zinc/33/75/85/630337585.db2.gz GNVHRLPCVDWXDB-SECBINFHSA-N 0 1 287.266 2.312 20 5 CEBDMN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCCN(C)C2)c1C ZINC000895833690 630370962 /nfs/dbraw/zinc/37/09/62/630370962.db2.gz CSHWUGAIVAYULX-LBPRGKRZSA-N 0 1 291.351 2.036 20 5 CEBDMN CC(C)[C@H](C(=O)OCc1csc([N+](=O)[O-])c1)N(C)C ZINC000803494190 631573839 /nfs/dbraw/zinc/57/38/39/631573839.db2.gz YHQWHZSONIJENQ-LLVKDONJSA-N 0 1 286.353 2.286 20 5 CEBDMN Cc1nc([C@H](C)OC(=O)c2ccc([N+](=O)[O-])c(F)c2)n[nH]1 ZINC000840224779 632341667 /nfs/dbraw/zinc/34/16/67/632341667.db2.gz OAHRLIFCIZOULY-LURJTMIESA-N 0 1 294.242 2.078 20 5 CEBDMN Cc1cc(Cl)ccc1OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840245349 632475669 /nfs/dbraw/zinc/47/56/69/632475669.db2.gz HSDSZOUJRDIXHP-RKDXNWHRSA-N 0 1 255.657 2.219 20 5 CEBDMN Cc1ccoc1COC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000816103423 633118348 /nfs/dbraw/zinc/11/83/48/633118348.db2.gz ZGIVSUIYFGHWKN-UHFFFAOYSA-N 0 1 250.210 2.181 20 5 CEBDMN O=C(CCN1CCC[C@H](F)C1)Nc1ccccc1[N+](=O)[O-] ZINC000902996853 634930293 /nfs/dbraw/zinc/93/02/93/634930293.db2.gz XXGWZODLQRNXQK-NSHDSACASA-N 0 1 295.314 2.357 20 5 CEBDMN CO[C@H](c1ccc(Cl)cc1)[C@H](C)NCC[N+](=O)[O-] ZINC000905126052 635835654 /nfs/dbraw/zinc/83/56/54/635835654.db2.gz CQNBPFMZPHIZEY-CABZTGNLSA-N 0 1 272.732 2.282 20 5 CEBDMN CC(C)(CC[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1)C(=O)[O-] ZINC000905820987 636486172 /nfs/dbraw/zinc/48/61/72/636486172.db2.gz UKKRCITUQHHUKY-UHFFFAOYSA-N 0 1 292.335 2.454 20 5 CEBDMN CC(C)(C)c1ccc(CNC(=O)[C@@H]2CC2[N+](=O)[O-])s1 ZINC000834302356 637770839 /nfs/dbraw/zinc/77/08/39/637770839.db2.gz LOAAYVRXWDIPID-NXEZZACHSA-N 0 1 282.365 2.327 20 5 CEBDMN CSC[C@H](C)COC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000835671911 638348114 /nfs/dbraw/zinc/34/81/14/638348114.db2.gz UNIBSWFRABMVGU-SSDOTTSWSA-N 0 1 258.299 2.079 20 5 CEBDMN C[C@H](C(=O)OCc1cc(O)ccc1[N+](=O)[O-])C1CC1 ZINC000837560314 639282588 /nfs/dbraw/zinc/28/25/88/639282588.db2.gz XSRZWLVHWJZXAQ-QMMMGPOBSA-N 0 1 265.265 2.390 20 5 CEBDMN COC[C@H](C)CC(=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837577823 639291065 /nfs/dbraw/zinc/29/10/65/639291065.db2.gz RNFHLCHFPORLKF-SECBINFHSA-N 0 1 283.280 2.016 20 5 CEBDMN O=C(OCc1cc(O)ccc1[N+](=O)[O-])C1=CCCC1 ZINC000837576913 639291161 /nfs/dbraw/zinc/29/11/61/639291161.db2.gz YQFHSSWVXOXWDH-UHFFFAOYSA-N 0 1 263.249 2.454 20 5 CEBDMN CC(C)[C@H](C)N(CC(F)(F)F)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000841110472 639683431 /nfs/dbraw/zinc/68/34/31/639683431.db2.gz VUNDRCWMMWBUDW-DJLDLDEBSA-N 0 1 282.262 2.087 20 5 CEBDMN Cc1ccc(CC(C)(C)NC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC000841356027 639746741 /nfs/dbraw/zinc/74/67/41/639746741.db2.gz HMNGZXFKQCFYFB-CHWSQXEVSA-N 0 1 276.336 2.098 20 5 CEBDMN CC(C)CO[C@H]1C[C@@H](OC(=O)[C@@H]2CC2[N+](=O)[O-])C1(C)C ZINC000842310193 640007848 /nfs/dbraw/zinc/00/78/48/640007848.db2.gz WMDCVTLLFLBWMW-WISYIIOYSA-N 0 1 285.340 2.035 20 5 CEBDMN CC(C)(C)O[C@@H]1C[C@H](OC(=O)[C@@H]2CC2[N+](=O)[O-])C1(C)C ZINC000842382493 640038023 /nfs/dbraw/zinc/03/80/23/640038023.db2.gz VMHIETSIFCIWIH-CHWFTXMASA-N 0 1 285.340 2.177 20 5 CEBDMN O=[N+]([O-])c1ccccc1Cc1noc(CNCC2CC2)n1 ZINC000843171323 640322814 /nfs/dbraw/zinc/32/28/14/640322814.db2.gz ZXZKMFIMMIMVQT-UHFFFAOYSA-N 0 1 288.307 2.068 20 5 CEBDMN C[C@@H]1CN(Cn2nccc2[N+](=O)[O-])CCc2ccccc21 ZINC000844742188 640822967 /nfs/dbraw/zinc/82/29/67/640822967.db2.gz NDSLRRDUUYWXPM-GFCCVEGCSA-N 0 1 286.335 2.411 20 5 CEBDMN COc1cc(CN[C@H]2C=CCC2)c([N+](=O)[O-])cc1O ZINC000850358565 642681072 /nfs/dbraw/zinc/68/10/72/642681072.db2.gz SBHZVNANEUMKKL-JTQLQIEISA-N 0 1 264.281 2.117 20 5 CEBDMN O=C(OCC[C@@H]1CC1(F)F)c1ccc([N+](=O)[O-])[nH]1 ZINC000851380620 643002487 /nfs/dbraw/zinc/00/24/87/643002487.db2.gz ZDCRLVIGGNULQJ-ZCFIWIBFSA-N 0 1 260.196 2.125 20 5 CEBDMN O=[N+]([O-])c1ccc(CN2CCC[C@](O)(C3CC3)C2)cc1F ZINC000852501491 643446421 /nfs/dbraw/zinc/44/64/21/643446421.db2.gz NLJYJXNMGXCADK-OAHLLOKOSA-N 0 1 294.326 2.471 20 5 CEBDMN O=[N+]([O-])c1ccc(F)cc1CN[C@H]1C[C@@H](O)C12CCC2 ZINC000852584350 643482987 /nfs/dbraw/zinc/48/29/87/643482987.db2.gz LKUWPWLAZWINRP-QWHCGFSZSA-N 0 1 280.299 2.127 20 5 CEBDMN COC(=O)C1CC(NCc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000877721578 650870103 /nfs/dbraw/zinc/87/01/03/650870103.db2.gz SAEYNSUOXXYUMR-UHFFFAOYSA-N 0 1 298.726 2.289 20 5 CEBDMN CCCN(C)Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1 ZINC000853492608 643787733 /nfs/dbraw/zinc/78/77/33/643787733.db2.gz WAWJDLUTWCFSIM-UHFFFAOYSA-N 0 1 275.312 2.153 20 5 CEBDMN CCC(N)=NOCc1c(F)cc([N+](=O)[O-])cc1F ZINC000853656712 643849940 /nfs/dbraw/zinc/84/99/40/643849940.db2.gz YUENTTMVWCSNCR-UHFFFAOYSA-N 0 1 259.212 2.281 20 5 CEBDMN COc1cc(F)c([N+](=O)[O-])c(N(C)Cc2cnc[nH]2)c1 ZINC000853743013 643884734 /nfs/dbraw/zinc/88/47/34/643884734.db2.gz HHSJFPQGRZDQQV-UHFFFAOYSA-N 0 1 280.259 2.102 20 5 CEBDMN CCCN(Cc1ccc(OC)cc1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839513675 644240854 /nfs/dbraw/zinc/24/08/54/644240854.db2.gz YTWRSLILKDGWDJ-ZIAGYGMSSA-N 0 1 292.335 2.099 20 5 CEBDMN Cc1cc(CC(=O)OCc2ccc([N+](=O)[O-])cc2F)n[nH]1 ZINC000756699133 644684188 /nfs/dbraw/zinc/68/41/88/644684188.db2.gz AUQHZOFALKHPGF-UHFFFAOYSA-N 0 1 293.254 2.051 20 5 CEBDMN CC1(C)CN(C(=O)[C@@H]2CC2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000839572809 644746878 /nfs/dbraw/zinc/74/68/78/644746878.db2.gz KMAJTNDQRMFGKN-UPJWGTAASA-N 0 1 274.320 2.261 20 5 CEBDMN CO[C@H]1C[C@@H](C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000877917579 650947269 /nfs/dbraw/zinc/94/72/69/650947269.db2.gz YIPXOROAOFUWJR-BJHJDKERSA-N 0 1 264.325 2.452 20 5 CEBDMN Cc1cc(C)cc([C@@H](C)NC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC000839668239 644769900 /nfs/dbraw/zinc/76/99/00/644769900.db2.gz ZSHMJJVAIBPCDU-RAIGVLPGSA-N 0 1 262.309 2.146 20 5 CEBDMN O=C(N[C@@H]1CCC[C@@H]1Cc1ccccc1)[C@@H]1CC1[N+](=O)[O-] ZINC000839687932 644774708 /nfs/dbraw/zinc/77/47/08/644774708.db2.gz NCUHPLAADPNBMN-KBUPBQIOSA-N 0 1 288.347 2.179 20 5 CEBDMN CC(C)C[C@@H]1CCCCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839695050 644776130 /nfs/dbraw/zinc/77/61/30/644776130.db2.gz WHUKNWNOQLXUPY-YNEHKIRRSA-N 0 1 268.357 2.469 20 5 CEBDMN C[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1nc2ccccc2s1 ZINC000839684402 644784398 /nfs/dbraw/zinc/78/43/98/644784398.db2.gz VAUCIYBUZMFSGO-NQMVMOMDSA-N 0 1 291.332 2.139 20 5 CEBDMN CC(C)c1cccc2c1CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C2 ZINC000839733397 644785801 /nfs/dbraw/zinc/78/58/01/644785801.db2.gz INXSJLXGZLXXMF-HUUCEWRRSA-N 0 1 288.347 2.360 20 5 CEBDMN C/C(=C\c1ccccc1)CN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839735669 644786198 /nfs/dbraw/zinc/78/61/98/644786198.db2.gz DXAOOBCURLVGDX-DVFZLIDBSA-N 0 1 274.320 2.214 20 5 CEBDMN Cc1cc([C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C2CC2)ccc1F ZINC000839713770 644788907 /nfs/dbraw/zinc/78/89/07/644788907.db2.gz FCUUIPFGIKYRKN-BNOWGMLFSA-N 0 1 292.310 2.367 20 5 CEBDMN C[C@H]1C[C@@H](C(C)(C)C)CCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839768322 644798983 /nfs/dbraw/zinc/79/89/83/644798983.db2.gz BYKGOYGSTLTKEJ-NNYUYHANSA-N 0 1 268.357 2.325 20 5 CEBDMN Cc1ccccc1[C@@]1(F)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839757218 644808622 /nfs/dbraw/zinc/80/86/22/644808622.db2.gz GOMLSDKXBWYLEQ-UXIGCNINSA-N 0 1 292.310 2.057 20 5 CEBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@H]1c1ccc(F)cc1F ZINC000839789734 644819427 /nfs/dbraw/zinc/81/94/27/644819427.db2.gz FRRRIDPGZJDRIN-KGYLQXTDSA-N 0 1 296.273 2.294 20 5 CEBDMN O=C(O[C@@H](C1CC1)C(F)(F)F)c1ccc([N+](=O)[O-])[nH]1 ZINC000761262935 645262081 /nfs/dbraw/zinc/26/20/81/645262081.db2.gz LRYDEKHHRDALDH-QMMMGPOBSA-N 0 1 278.186 2.421 20 5 CEBDMN COc1cc([N+](=O)[O-])ccc1CN(C)CCCF ZINC000887140986 645538987 /nfs/dbraw/zinc/53/89/87/645538987.db2.gz AHQOOZMIJQLDIZ-UHFFFAOYSA-N 0 1 256.277 2.395 20 5 CEBDMN CC[C@@H](C)N(OC)C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000764818937 645693656 /nfs/dbraw/zinc/69/36/56/645693656.db2.gz MSNJFPSEOATSEP-MRVPVSSYSA-N 0 1 284.316 2.243 20 5 CEBDMN CC(C)[C@H](O)CCN1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000878303811 651060128 /nfs/dbraw/zinc/06/01/28/651060128.db2.gz ZQLNTPIOIVALTH-OAHLLOKOSA-N 0 1 278.352 2.360 20 5 CEBDMN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])[C@H]1CCC[C@@H]1c1ccccc1 ZINC000839800161 646139328 /nfs/dbraw/zinc/13/93/28/646139328.db2.gz RWVLDCAMLOGOHY-APIJFGDWSA-N 0 1 288.347 2.446 20 5 CEBDMN CCN[C@H](C)c1nc(-c2ccc([N+](=O)[O-])s2)no1 ZINC000863670671 646785581 /nfs/dbraw/zinc/78/55/81/646785581.db2.gz QMMFQDOMBBEVNO-ZCFIWIBFSA-N 0 1 268.298 2.377 20 5 CEBDMN CN(Cc1cn(CC(C)(C)[N+](=O)[O-])nn1)C1CCCCC1 ZINC000864641827 647074549 /nfs/dbraw/zinc/07/45/49/647074549.db2.gz CTUJEQLTSCCAFK-UHFFFAOYSA-N 0 1 295.387 2.098 20 5 CEBDMN CCOC(=O)[C@@H](CC)[C@H](C)OC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000789473938 648307505 /nfs/dbraw/zinc/30/75/05/648307505.db2.gz ZUWRGKGUCGTIDV-IUCAKERBSA-N 0 1 298.295 2.058 20 5 CEBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@@](F)(c2ccccc2)C1 ZINC000871368938 649072492 /nfs/dbraw/zinc/07/24/92/649072492.db2.gz APVSWOVYZOIJGH-NFAWXSAZSA-N 0 1 292.310 2.139 20 5 CEBDMN C[C@@H](NCC(C)(C)CO)c1c(F)cccc1[N+](=O)[O-] ZINC000872052000 649254933 /nfs/dbraw/zinc/25/49/33/649254933.db2.gz MAXIWKNFUSLOKF-SECBINFHSA-N 0 1 270.304 2.403 20 5 CEBDMN CC[C@@H](O)CNCc1cc([N+](=O)[O-])ccc1Cl ZINC000124390128 649555607 /nfs/dbraw/zinc/55/56/07/649555607.db2.gz RHTNSXKDWSLMLY-SNVBAGLBSA-N 0 1 258.705 2.109 20 5 CEBDMN CC[C@H](CCc1cccnc1)OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000873585058 649704628 /nfs/dbraw/zinc/70/46/28/649704628.db2.gz WXUWESAGLLZFKV-JHJVBQTASA-N 0 1 278.308 2.001 20 5 CEBDMN CC(C)(O)[C@H]1CCN(Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000721788889 805420037 /nfs/dbraw/zinc/42/00/37/805420037.db2.gz OFWWJIVKUVVBRW-NSHDSACASA-N 0 1 282.315 2.327 20 5 CEBDMN O=C(O[C@@H]1CCCOc2ccccc21)[C@@H]1CC1[N+](=O)[O-] ZINC001127280971 807618773 /nfs/dbraw/zinc/61/87/73/807618773.db2.gz SQPVLTOXVDSBEC-NQBHXWOUSA-N 0 1 277.276 2.109 20 5 CEBDMN CC[C@H]1COC[C@H]1NCc1cc([N+](=O)[O-])ccc1OC ZINC000699831941 807865761 /nfs/dbraw/zinc/86/57/61/807865761.db2.gz AKJXLJCYBVFYNY-GXFFZTMASA-N 0 1 280.324 2.118 20 5 CEBDMN Cc1c(CNCc2cnn(CCF)c2)cccc1[N+](=O)[O-] ZINC000922047972 809018142 /nfs/dbraw/zinc/01/81/42/809018142.db2.gz AERVPQDVBWXQJE-UHFFFAOYSA-N 0 1 292.314 2.359 20 5 CEBDMN C[C@@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)C1(C)CC1 ZINC001120804876 815277726 /nfs/dbraw/zinc/27/77/26/815277726.db2.gz ALSBQKPPRMXICH-MRVPVSSYSA-N 0 1 264.281 2.219 20 5 CEBDMN CC[N@@H+](Cc1cc(F)ccc1[N+](=O)[O-])[C@H](C)C(=O)[O-] ZINC000707962760 809915615 /nfs/dbraw/zinc/91/56/15/809915615.db2.gz VJDLQWBVGVJHMX-MRVPVSSYSA-N 0 1 270.260 2.029 20 5 CEBDMN CN(C)C1(C(=O)Nc2cccc([N+](=O)[O-])c2)CCC1 ZINC000119289746 810767865 /nfs/dbraw/zinc/76/78/65/810767865.db2.gz XPHVSZUOFOLHIA-UHFFFAOYSA-N 0 1 263.297 2.018 20 5 CEBDMN O=C1CC[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)[C@H]2CCCC[C@@H]12 ZINC001169007586 811332674 /nfs/dbraw/zinc/33/26/74/811332674.db2.gz OIBNIIQAQUOFNJ-DGAVXFQQSA-N 0 1 280.368 2.265 20 5 CEBDMN C[C@@H](COC(=O)c1ccc(CN2CCCCC2)o1)[N+](=O)[O-] ZINC001122950037 815456904 /nfs/dbraw/zinc/45/69/04/815456904.db2.gz FBPGOZUIFABWSQ-NSHDSACASA-N 0 1 296.323 2.088 20 5 CEBDMN C[C@H]1[C@H](C)N(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CCN1C ZINC000771286890 811954650 /nfs/dbraw/zinc/95/46/50/811954650.db2.gz HGUCAGLZEFNSGR-UWVGGRQHSA-N 0 1 294.311 2.032 20 5 CEBDMN COc1ccc(C[C@@H](C)N2CC(C)C2)c([N+](=O)[O-])c1 ZINC001170327747 812386448 /nfs/dbraw/zinc/38/64/48/812386448.db2.gz HLWFQLKNGIOYGE-LLVKDONJSA-N 0 1 264.325 2.486 20 5 CEBDMN CN(Cc1cnc[nH]1)C(=O)c1cccc([N+](=O)[O-])c1Cl ZINC001147072796 814379298 /nfs/dbraw/zinc/37/92/98/814379298.db2.gz OSMMJFDYPAYEHW-UHFFFAOYSA-N 0 1 294.698 2.244 20 5 CEBDMN COc1ccc([N+](=O)[O-])c(C[C@H](C)N[C@@H]2C[C@H]2F)c1F ZINC001173180984 815617153 /nfs/dbraw/zinc/61/71/53/815617153.db2.gz AHHNOEGRKNIWMI-FXBDTBDDSA-N 0 1 286.278 2.374 20 5 CEBDMN CCN1CC[C@@H]1CNc1cccc(F)c1[N+](=O)[O-] ZINC000712613325 814758043 /nfs/dbraw/zinc/75/80/43/814758043.db2.gz GVNLKDGZUUKVAT-SECBINFHSA-N 0 1 253.277 2.240 20 5 CEBDMN CC[N@@H+]1CC[C@@H]1CNCc1cc([N+](=O)[O-])ccc1Cl ZINC000712571766 814767537 /nfs/dbraw/zinc/76/75/37/814767537.db2.gz YCWDKMFJAQHMCN-GFCCVEGCSA-N 0 1 283.759 2.432 20 5 CEBDMN O=[N+]([O-])c1ccccc1CN1CC[C@@H](c2ncccn2)C1 ZINC001176524240 816433834 /nfs/dbraw/zinc/43/38/34/816433834.db2.gz MZKXBOWHBDBJKD-CYBMUJFWSA-N 0 1 284.319 2.374 20 5 CEBDMN O=C(NCCN1CCC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000337431289 214077770 /nfs/dbraw/zinc/07/77/70/214077770.db2.gz ZBJMKNZFNJUCLG-UHFFFAOYSA-N 0 1 298.730 2.075 20 5 CEBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N(CC(F)F)C1CC1 ZINC000269298849 190484375 /nfs/dbraw/zinc/48/43/75/190484375.db2.gz SPRIMQAVQNMWOT-UHFFFAOYSA-N 0 1 286.234 2.170 20 5 CEBDMN C[C@@H](NCc1ccnn1C)c1cccc([N+](=O)[O-])c1 ZINC000037775636 361935761 /nfs/dbraw/zinc/93/57/61/361935761.db2.gz ODSIHZOWZIWRGQ-SNVBAGLBSA-N 0 1 260.297 2.179 20 5 CEBDMN Cc1[nH]ncc1CNC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000037983025 361971005 /nfs/dbraw/zinc/97/10/05/361971005.db2.gz DPEUIYINXYPOBZ-UHFFFAOYSA-N 0 1 294.698 2.210 20 5 CEBDMN O=C(N[C@]12C[C@H]1CCCC2)c1cc(O)cc([N+](=O)[O-])c1 ZINC000601776707 346895924 /nfs/dbraw/zinc/89/59/24/346895924.db2.gz RDCCFVSYMQIVQS-QMTHXVAHSA-N 0 1 276.292 2.363 20 5 CEBDMN CCCc1[nH]nc(C(=O)N2CCC(C)(F)CC2)c1[N+](=O)[O-] ZINC000601866398 346918893 /nfs/dbraw/zinc/91/88/93/346918893.db2.gz CPVORSPJWCHOCM-UHFFFAOYSA-N 0 1 298.318 2.235 20 5 CEBDMN COc1ccc(C[N@H+]2CCC[C@@H]2CC(=O)[O-])cc1[N+](=O)[O-] ZINC000042163678 362064291 /nfs/dbraw/zinc/06/42/91/362064291.db2.gz NVEWQKQPJIBXIQ-LLVKDONJSA-N 0 1 294.307 2.043 20 5 CEBDMN CCc1c(C)[nH]n(-c2ccc([N+](=O)[O-])cc2OC)c1=O ZINC000601936559 346932475 /nfs/dbraw/zinc/93/24/75/346932475.db2.gz UIXYHQYKJIPCCY-SNVBAGLBSA-N 0 1 277.280 2.352 20 5 CEBDMN Cc1c([N+](=O)[O-])cccc1-n1[nH]c2c(c1=O)CSCC2 ZINC000601938674 346933951 /nfs/dbraw/zinc/93/39/51/346933951.db2.gz HWXGCVIKTLWDOC-SECBINFHSA-N 0 1 291.332 2.359 20 5 CEBDMN C[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])[C@H](C)c1ccccc1 ZINC000127321292 365741244 /nfs/dbraw/zinc/74/12/44/365741244.db2.gz LPPCACXTPQIQAK-VHSXEESVSA-N 0 1 288.307 2.240 20 5 CEBDMN CCC[N@@H+](C)Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000127545088 365752879 /nfs/dbraw/zinc/75/28/79/365752879.db2.gz COTULEYNNZXVGY-UHFFFAOYSA-N 0 1 268.313 2.454 20 5 CEBDMN CCCN(C)Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000127545088 365752885 /nfs/dbraw/zinc/75/28/85/365752885.db2.gz COTULEYNNZXVGY-UHFFFAOYSA-N 0 1 268.313 2.454 20 5 CEBDMN CN(Cc1cccc([N+](=O)[O-])c1)C[C@H]1CCCO1 ZINC000046784023 343504153 /nfs/dbraw/zinc/50/41/53/343504153.db2.gz ZTOVVFDEBDQUTB-CYBMUJFWSA-N 0 1 250.298 2.206 20 5 CEBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@H]1C1CCCCC1 ZINC000055600654 343606519 /nfs/dbraw/zinc/60/65/19/343606519.db2.gz DLSFTRNEXMWEOH-AGIUHOORSA-N 0 1 266.341 2.223 20 5 CEBDMN CC[C@H]1C[N@@H+](CC)CCN1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000449566935 282286505 /nfs/dbraw/zinc/28/65/05/282286505.db2.gz SLYVJHABYHSMFM-ZDUSSCGKSA-N 0 1 293.367 2.217 20 5 CEBDMN CC(C)N1CCCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000068801100 343773761 /nfs/dbraw/zinc/77/37/61/343773761.db2.gz ZOZIGTBQYRYAHV-UHFFFAOYSA-N 0 1 297.380 2.213 20 5 CEBDMN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@@H](C)N(C)C ZINC000602082475 346969661 /nfs/dbraw/zinc/96/96/61/346969661.db2.gz DZBVQWDZPNVYMP-GFCCVEGCSA-N 0 1 293.367 2.282 20 5 CEBDMN COCC[N@H+](Cc1cc([O-])ccc1[N+](=O)[O-])CC(C)C ZINC000092563132 344195066 /nfs/dbraw/zinc/19/50/66/344195066.db2.gz BQTGTWYGWBPSTM-UHFFFAOYSA-N 0 1 282.340 2.405 20 5 CEBDMN Cc1cccc(-c2nc([C@H]3CCCN3)no2)c1[N+](=O)[O-] ZINC000228560388 344560743 /nfs/dbraw/zinc/56/07/43/344560743.db2.gz UWWZBEKIGXSVGN-SNVBAGLBSA-N 0 1 274.280 2.378 20 5 CEBDMN O=[N+]([O-])c1ccccc1-c1nc([C@H]2CCCN2)no1 ZINC000228560318 344561147 /nfs/dbraw/zinc/56/11/47/344561147.db2.gz GSPUOCLQPPSHNR-SECBINFHSA-N 0 1 260.253 2.069 20 5 CEBDMN C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](C(=O)[O-])[C@H]1C ZINC000252606229 344640809 /nfs/dbraw/zinc/64/08/09/344640809.db2.gz QJPFOWHHRDPDHE-CKYFFXLPSA-N 0 1 278.308 2.451 20 5 CEBDMN CN1CCC[C@H]1CNc1c(Cl)cncc1[N+](=O)[O-] ZINC000310670874 344730768 /nfs/dbraw/zinc/73/07/68/344730768.db2.gz HLGHKEJCQDZCLX-QMMMGPOBSA-N 0 1 270.720 2.149 20 5 CEBDMN COc1ccc([N+](=O)[O-])cc1CN1CCC[C@H](CO)CC1 ZINC000293359088 344691948 /nfs/dbraw/zinc/69/19/48/344691948.db2.gz ZUFFTIKJGUSWTF-LBPRGKRZSA-N 0 1 294.351 2.198 20 5 CEBDMN O=[N+]([O-])c1ccc(CN2CCC[C@@H]3COC[C@@H]32)cc1 ZINC000590972134 345207740 /nfs/dbraw/zinc/20/77/40/345207740.db2.gz HKOMRZDSJZACCI-OCCSQVGLSA-N 0 1 262.309 2.206 20 5 CEBDMN CC(C)(NCc1ccc(N)nc1)c1ccc([N+](=O)[O-])cc1 ZINC000592429251 345351627 /nfs/dbraw/zinc/35/16/27/345351627.db2.gz CPYGCIWROGJPCZ-UHFFFAOYSA-N 0 1 286.335 2.427 20 5 CEBDMN CCCN(C(=O)c1csc([N+](=O)[O-])c1)[C@H]1CCN(C)C1 ZINC000592832146 345402016 /nfs/dbraw/zinc/40/20/16/345402016.db2.gz RNSRQDJVDXOBHB-NSHDSACASA-N 0 1 297.380 2.213 20 5 CEBDMN COc1ccc(C[N@H+]2[C@@H](C)CC[C@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC000593290349 345462880 /nfs/dbraw/zinc/46/28/80/345462880.db2.gz GADPADLCGPYMNE-ONGXEEELSA-N 0 1 294.307 2.041 20 5 CEBDMN COc1cc([N+](=O)[O-])ccc1CN1CCCCC[C@H]1CO ZINC000594016801 345566682 /nfs/dbraw/zinc/56/66/82/345566682.db2.gz IOUGMAJLYDSNGZ-AWEZNQCLSA-N 0 1 294.351 2.340 20 5 CEBDMN O=[N+]([O-])c1cc(CNCCO[C@H]2CC2(F)F)cs1 ZINC000594970137 345719644 /nfs/dbraw/zinc/71/96/44/345719644.db2.gz CMBKYTWBCPUMAW-QMMMGPOBSA-N 0 1 278.280 2.170 20 5 CEBDMN CO[C@@]1(C)C[C@H]1NCc1ccc([N+](=O)[O-])cc1F ZINC000594993542 345722772 /nfs/dbraw/zinc/72/27/72/345722772.db2.gz BOORRLSTCLNGCI-NEPJUHHUSA-N 0 1 254.261 2.001 20 5 CEBDMN O=[N+]([O-])c1ccc(CN[C@@H]2CCCn3nccc32)cc1 ZINC000595014344 345726819 /nfs/dbraw/zinc/72/68/19/345726819.db2.gz OQCZXOSGJRWBNB-CYBMUJFWSA-N 0 1 272.308 2.416 20 5 CEBDMN COCC1(N[C@@H](C)c2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000595030319 345730942 /nfs/dbraw/zinc/73/09/42/345730942.db2.gz QDYXOUVJESTFDM-JTQLQIEISA-N 0 1 280.324 2.433 20 5 CEBDMN COC[C@@H](CN(Cc1ccc([N+](=O)[O-])cc1)C1CC1)OC ZINC000595405099 345775390 /nfs/dbraw/zinc/77/53/90/345775390.db2.gz SSOUECBEQOJKDW-OAHLLOKOSA-N 0 1 294.351 2.221 20 5 CEBDMN Cc1noc(CN2CC[C@@H]3CCC[C@@H]32)c1[N+](=O)[O-] ZINC000595446415 345784612 /nfs/dbraw/zinc/78/46/12/345784612.db2.gz LFEKGFQIHAUBBS-UWVGGRQHSA-N 0 1 251.286 2.266 20 5 CEBDMN Cc1c(CN(C)Cc2cnc[nH]2)cccc1[N+](=O)[O-] ZINC000595597793 345821856 /nfs/dbraw/zinc/82/18/56/345821856.db2.gz WEIDFSDQOHCKNO-UHFFFAOYSA-N 0 1 260.297 2.258 20 5 CEBDMN COc1ccc(CN2C[C@H]3COC[C@]3(C)C2)cc1[N+](=O)[O-] ZINC000595756456 345868264 /nfs/dbraw/zinc/86/82/64/345868264.db2.gz GFULTDXRMTWBFV-WFASDCNBSA-N 0 1 292.335 2.072 20 5 CEBDMN COCCN1CCC[C@H](Nc2cc(C)sc2[N+](=O)[O-])C1 ZINC000596117128 345943580 /nfs/dbraw/zinc/94/35/80/345943580.db2.gz WFLVKVBMFBEZPY-NSHDSACASA-N 0 1 299.396 2.487 20 5 CEBDMN COCCC1CN(Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000597183546 346143492 /nfs/dbraw/zinc/14/34/92/346143492.db2.gz KEQALTRCTRKPIP-UHFFFAOYSA-N 0 1 264.325 2.372 20 5 CEBDMN COc1ccc(CN2CC[C@@H](C)[C@@H](CO)C2)cc1[N+](=O)[O-] ZINC000598645113 346391208 /nfs/dbraw/zinc/39/12/08/346391208.db2.gz DREPUWVESRPLBS-DGCLKSJQSA-N 0 1 294.351 2.054 20 5 CEBDMN COc1ccc(CN2CC[C@H](C)[C@H](CO)C2)cc1[N+](=O)[O-] ZINC000598645111 346391575 /nfs/dbraw/zinc/39/15/75/346391575.db2.gz DREPUWVESRPLBS-AAEUAGOBSA-N 0 1 294.351 2.054 20 5 CEBDMN COc1ccc(CN2CC[C@@H](C)[C@H](CO)C2)cc1[N+](=O)[O-] ZINC000598645115 346391625 /nfs/dbraw/zinc/39/16/25/346391625.db2.gz DREPUWVESRPLBS-YPMHNXCESA-N 0 1 294.351 2.054 20 5 CEBDMN COC(=O)[C@H]1CCN([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000339221414 215020638 /nfs/dbraw/zinc/02/06/38/215020638.db2.gz BCEXSVPYOHINSD-JQWIXIFHSA-N 0 1 278.308 2.151 20 5 CEBDMN CCC(F)(F)CNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000600379647 346637194 /nfs/dbraw/zinc/63/71/94/346637194.db2.gz JDFZWKDRTSTPGZ-UHFFFAOYSA-N 0 1 274.223 2.076 20 5 CEBDMN Cc1ncc([N+](=O)[O-])n1CCN(C)[C@H](C)c1cccnc1 ZINC000602801666 347205181 /nfs/dbraw/zinc/20/51/81/347205181.db2.gz YUQDCZKPZYXBDN-LLVKDONJSA-N 0 1 289.339 2.188 20 5 CEBDMN CN[C@@H](C)c1cn([C@@H](C)c2ccccc2[N+](=O)[O-])nn1 ZINC000603220314 347312394 /nfs/dbraw/zinc/31/23/94/347312394.db2.gz SRCZIOMBZYUQIL-UWVGGRQHSA-N 0 1 275.312 2.076 20 5 CEBDMN CN[C@H](C)c1cn([C@H](C)c2ccccc2[N+](=O)[O-])nn1 ZINC000603220313 347312478 /nfs/dbraw/zinc/31/24/78/347312478.db2.gz SRCZIOMBZYUQIL-NXEZZACHSA-N 0 1 275.312 2.076 20 5 CEBDMN CC(C)(NCc1cn[nH]c1)c1ccc([N+](=O)[O-])cc1 ZINC000610575211 347692583 /nfs/dbraw/zinc/69/25/83/347692583.db2.gz NWGIYTMVHRVZKL-UHFFFAOYSA-N 0 1 260.297 2.343 20 5 CEBDMN COCC(C)(C)NCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000610585881 347694400 /nfs/dbraw/zinc/69/44/00/347694400.db2.gz SXSVYHHTPXVDOK-UHFFFAOYSA-N 0 1 279.296 2.251 20 5 CEBDMN C[C@H](NCc1ccn(C)c(=O)c1)c1ccccc1[N+](=O)[O-] ZINC000611407615 347774605 /nfs/dbraw/zinc/77/46/05/347774605.db2.gz VOPJUHOMAPAUAM-NSHDSACASA-N 0 1 287.319 2.144 20 5 CEBDMN CCN(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C1CC1 ZINC000611254428 347759426 /nfs/dbraw/zinc/75/94/26/347759426.db2.gz OBHOWZCHQOCTNQ-UHFFFAOYSA-N 0 1 278.308 2.350 20 5 CEBDMN Cc1occc1CNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000611555455 347793876 /nfs/dbraw/zinc/79/38/76/347793876.db2.gz CIWLFEPZJMVJNQ-UHFFFAOYSA-N 0 1 276.248 2.132 20 5 CEBDMN O=C([O-])C[C@H]1CCCC[N@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000086775251 179327692 /nfs/dbraw/zinc/32/76/92/179327692.db2.gz LOPAGOILROJJTM-SNVBAGLBSA-N 0 1 284.337 2.486 20 5 CEBDMN C[C@H]1CN(Cc2cc(O)ccc2[N+](=O)[O-])C[C@H](C2CC2)O1 ZINC000619431547 349179771 /nfs/dbraw/zinc/17/97/71/349179771.db2.gz TYSNLOCFWWAWQV-ZUZCIYMTSA-N 0 1 292.335 2.300 20 5 CEBDMN COCCCOCCN(C)Cc1ccc([N+](=O)[O-])cc1 ZINC000091102029 180098366 /nfs/dbraw/zinc/09/83/66/180098366.db2.gz VZTFFVIHMQLFOC-UHFFFAOYSA-N 0 1 282.340 2.080 20 5 CEBDMN CN(Cc1cc([N+](=O)[O-])ccc1Cl)CC1CC(O)C1 ZINC000091463410 180162354 /nfs/dbraw/zinc/16/23/54/180162354.db2.gz VXMMALUAVZZVRR-UHFFFAOYSA-N 0 1 284.743 2.451 20 5 CEBDMN COc1ccc(CN2CCC[C@@H](CO)[C@@H]2C)cc1[N+](=O)[O-] ZINC000412100330 233339199 /nfs/dbraw/zinc/33/91/99/233339199.db2.gz XMYUBJCMBGRIGL-AAEUAGOBSA-N 0 1 294.351 2.196 20 5 CEBDMN C[C@H]1[C@@H](CO)CCCN1Cc1ccc([N+](=O)[O-])cc1F ZINC000412101313 233339266 /nfs/dbraw/zinc/33/92/66/233339266.db2.gz YQNUUWZCTSSGJB-CMPLNLGQSA-N 0 1 282.315 2.327 20 5 CEBDMN Cn1cnc([N+](=O)[O-])c1CN1CC(C)(C)[C@H]2CCC[C@H]21 ZINC000339710142 215309509 /nfs/dbraw/zinc/30/95/09/215309509.db2.gz FZGNHHPEGIDVFP-WDEREUQCSA-N 0 1 278.356 2.339 20 5 CEBDMN COc1ccc([N+](=O)[O-])cc1CN(C)C1CC(OC)C1 ZINC000352202676 219360533 /nfs/dbraw/zinc/36/05/33/219360533.db2.gz LOCJSKNXJKIOAI-UHFFFAOYSA-N 0 1 280.324 2.213 20 5 CEBDMN C[C@H](c1ccccc1[N+](=O)[O-])N1C[C@@H](O)C(C)(C)C1 ZINC000279721858 290267518 /nfs/dbraw/zinc/26/75/18/290267518.db2.gz IYDGQWIBMYISIY-ZWNOBZJWSA-N 0 1 264.325 2.359 20 5 CEBDMN CCCc1[nH]nc(C(=O)N2C[C@@H]3CCC[C@H]3C2)c1[N+](=O)[O-] ZINC000154201575 188129378 /nfs/dbraw/zinc/12/93/78/188129378.db2.gz HZGQORWLMPHGAF-UWVGGRQHSA-N 0 1 292.339 2.143 20 5 CEBDMN C[C@@H]1CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C[C@H](C)N1 ZINC000132718058 366166671 /nfs/dbraw/zinc/16/66/71/366166671.db2.gz VJFPGEWDXHNPCP-DTORHVGOSA-N 0 1 297.742 2.071 20 5 CEBDMN Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC000570094055 299237694 /nfs/dbraw/zinc/23/76/94/299237694.db2.gz YTVSUZMYDIAAPY-YGRLFVJLSA-N 0 1 292.335 2.446 20 5 CEBDMN Cc1[nH]nc(C(=O)N2CC(C)(C)[C@H]3CCC[C@H]32)c1[N+](=O)[O-] ZINC000294583416 199095745 /nfs/dbraw/zinc/09/57/45/199095745.db2.gz FOCKGVOAFDQTAA-VHSXEESVSA-N 0 1 292.339 2.277 20 5 CEBDMN CCc1nc(CNc2cccc(C)c2[N+](=O)[O-])n[nH]1 ZINC000294853004 199214716 /nfs/dbraw/zinc/21/47/16/199214716.db2.gz CIHHOLFCEWLICN-UHFFFAOYSA-N 0 1 261.285 2.196 20 5 CEBDMN CCC[C@@H](C(=O)[O-])[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000579260183 366620278 /nfs/dbraw/zinc/62/02/78/366620278.db2.gz CKXAKTUCUVILGK-ZDUSSCGKSA-N 0 1 280.324 2.322 20 5 CEBDMN CN(Cc1cc(O)ccc1[N+](=O)[O-])CC(F)(F)F ZINC000338991810 366602961 /nfs/dbraw/zinc/60/29/61/366602961.db2.gz BOWGVFMHYUNZOB-UHFFFAOYSA-N 0 1 264.203 2.295 20 5 CEBDMN CC(C)[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])CC(=O)[O-] ZINC000579328589 366627456 /nfs/dbraw/zinc/62/74/56/366627456.db2.gz BGDUZKBMAWCBTG-ALCCZGGFSA-N 0 1 278.308 2.403 20 5 CEBDMN O=C([O-])[C@@H]1CCCC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000003756180 304105390 /nfs/dbraw/zinc/10/53/90/304105390.db2.gz YAHSRDAQQHEUPZ-LBPRGKRZSA-N 0 1 264.281 2.034 20 5 CEBDMN CCN(CC(=O)Nc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000029912086 361693296 /nfs/dbraw/zinc/69/32/96/361693296.db2.gz GLZWRMPMBOLBKG-UHFFFAOYSA-N 0 1 263.297 2.018 20 5 CEBDMN Cc1ccc([C@H](C)NCc2cnc[nH]2)cc1[N+](=O)[O-] ZINC000088750554 363918818 /nfs/dbraw/zinc/91/88/18/363918818.db2.gz GVBZFKPHIIHAAG-JTQLQIEISA-N 0 1 260.297 2.477 20 5 CEBDMN C[C@@H](N[C@@H]1CC(=O)N(C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000090181198 364046499 /nfs/dbraw/zinc/04/64/99/364046499.db2.gz DQDSOIRQQOLBBI-ZYHUDNBSSA-N 0 1 289.335 2.009 20 5 CEBDMN C[C@H](CC1CC1)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356593102 370766881 /nfs/dbraw/zinc/76/68/81/370766881.db2.gz KXKAOGAOEBDWBC-MRVPVSSYSA-N 0 1 264.281 2.219 20 5 CEBDMN COC[C@H]1CCN(Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000094774895 364295151 /nfs/dbraw/zinc/29/51/51/364295151.db2.gz TYLPBCOBWHPHAV-NSHDSACASA-N 0 1 268.288 2.202 20 5 CEBDMN Cc1nc2ccc(NC(=O)c3ccc([N+](=O)[O-])[nH]3)cc2[nH]1 ZINC000340577858 366942222 /nfs/dbraw/zinc/94/22/22/366942222.db2.gz SLCRNZCYLWAGEA-UHFFFAOYSA-N 0 1 285.263 2.360 20 5 CEBDMN COc1ccc([N+](=O)[O-])cc1CN(C)C[C@@H]1CCC[C@@H]1O ZINC000159627296 366934540 /nfs/dbraw/zinc/93/45/40/366934540.db2.gz IIBHILGGTNGULJ-FZMZJTMJSA-N 0 1 294.351 2.196 20 5 CEBDMN C[C@@H]1CN(CCOc2ccc([N+](=O)[O-])cc2)CCS1 ZINC000171686987 367593229 /nfs/dbraw/zinc/59/32/29/367593229.db2.gz ODSYGTYHFTXENE-LLVKDONJSA-N 0 1 282.365 2.411 20 5 CEBDMN O=[N+]([O-])c1ccc(N2CCN(CCCF)CC2)cc1 ZINC000178263266 368294495 /nfs/dbraw/zinc/29/44/95/368294495.db2.gz ZTTZWIYAVNVYOR-UHFFFAOYSA-N 0 1 267.304 2.076 20 5 CEBDMN CC[C@@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)C(F)(F)F ZINC000348060516 368880523 /nfs/dbraw/zinc/88/05/23/368880523.db2.gz BHNKAUWYJCRBHL-SECBINFHSA-N 0 1 292.213 2.371 20 5 CEBDMN CC[C@@H](C)N(C)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000330788816 203237988 /nfs/dbraw/zinc/23/79/88/203237988.db2.gz YWGPIDKBDBHFGK-MRVPVSSYSA-N 0 1 252.270 2.171 20 5 CEBDMN C[C@H]1CCC[C@H](N(C)Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000355550073 370596537 /nfs/dbraw/zinc/59/65/37/370596537.db2.gz FQXKWKLJUYTCAE-QWRGUYRKSA-N 0 1 266.345 2.339 20 5 CEBDMN C[C@@H]1C[C@@H](O)C[C@H](C)N1Cc1cccc([N+](=O)[O-])c1 ZINC000248984734 371279024 /nfs/dbraw/zinc/27/90/24/371279024.db2.gz DXCUYGHABZAGOA-GNXNZQSNSA-N 0 1 264.325 2.329 20 5 CEBDMN CCC[C@H]1CNCCN1C(=O)c1cccc([N+](=O)[O-])c1C ZINC000359219997 371381772 /nfs/dbraw/zinc/38/17/72/371381772.db2.gz IBMLDNHGNBLLEV-LBPRGKRZSA-N 0 1 291.351 2.117 20 5 CEBDMN CCOc1cc(CN2CC[C@H](O)C2(C)C)ccc1[N+](=O)[O-] ZINC000361416510 371837074 /nfs/dbraw/zinc/83/70/74/371837074.db2.gz SQHIBRRYDORIND-AWEZNQCLSA-N 0 1 294.351 2.339 20 5 CEBDMN C[C@H]1C[C@H](CO)CCN1Cc1cccc([N+](=O)[O-])c1 ZINC000344146344 217073339 /nfs/dbraw/zinc/07/33/39/217073339.db2.gz PTOYFSCYAOJJSW-WCQYABFASA-N 0 1 264.325 2.188 20 5 CEBDMN C[C@@H]1SCCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@H]1C ZINC000269621879 372509468 /nfs/dbraw/zinc/50/94/68/372509468.db2.gz BDOUUKOJQLARCM-MJVIPROJSA-N 0 1 296.392 2.454 20 5 CEBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@H](CC2CCCC2)C1 ZINC000364592082 372762548 /nfs/dbraw/zinc/76/25/48/372762548.db2.gz QMMCZCYORWOFJN-JHJVBQTASA-N 0 1 266.341 2.080 20 5 CEBDMN O=C(N[C@@H]1CCC[C@@H]1c1ccc(F)cc1)[C@H]1CC1[N+](=O)[O-] ZINC000365565638 372894882 /nfs/dbraw/zinc/89/48/82/372894882.db2.gz KAZTXCBCVIDWDO-XJFOESAGSA-N 0 1 292.310 2.243 20 5 CEBDMN CN(Cc1cccnc1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000271047433 373090549 /nfs/dbraw/zinc/09/05/49/373090549.db2.gz WBKIFRSNDVZRBD-OAHLLOKOSA-N 0 1 287.319 2.155 20 5 CEBDMN CO[C@H]1CCN(Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000271163740 373152958 /nfs/dbraw/zinc/15/29/58/373152958.db2.gz FCSDEANEZFOJPX-LBPRGKRZSA-N 0 1 250.298 2.124 20 5 CEBDMN O=[N+]([O-])c1ccn(C2CCN(Cc3ccccn3)CC2)n1 ZINC000369672075 373486294 /nfs/dbraw/zinc/48/62/94/373486294.db2.gz XMBJAXPUMBHYLY-UHFFFAOYSA-N 0 1 287.323 2.023 20 5 CEBDMN C[C@@]1(CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)CCCS1 ZINC000272642807 373596253 /nfs/dbraw/zinc/59/62/53/373596253.db2.gz DUNNMAAZOIWIFU-ZDUSSCGKSA-N 0 1 296.348 2.316 20 5 CEBDMN CC(C)C[C@H](C)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272707406 373623780 /nfs/dbraw/zinc/62/37/80/373623780.db2.gz WPYYIQIBECSQKT-VIFPVBQESA-N 0 1 266.297 2.465 20 5 CEBDMN CCc1[nH]nc(C(=O)N2C[C@H]3CCCCC[C@@H]32)c1[N+](=O)[O-] ZINC000371164296 373805590 /nfs/dbraw/zinc/80/55/90/373805590.db2.gz JVBYIPMQIQOCBT-KOLCDFICSA-N 0 1 292.339 2.285 20 5 CEBDMN O=[N+]([O-])c1ccc(N2CCC[C@H](c3nc[nH]n3)C2)cc1 ZINC000371270529 373826605 /nfs/dbraw/zinc/82/66/05/373826605.db2.gz FSCREAGJWQGYIT-JTQLQIEISA-N 0 1 273.296 2.097 20 5 CEBDMN Cc1csc([C@@H]2CCCCN2C(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC000377555859 374883730 /nfs/dbraw/zinc/88/37/30/374883730.db2.gz DXRVEHXXWJVZCV-OUAUKWLOSA-N 0 1 295.364 2.170 20 5 CEBDMN O=C(N[C@@H]1CCC[C@@H]1c1ccccc1)[C@H]1CC1[N+](=O)[O-] ZINC000377603741 374893872 /nfs/dbraw/zinc/89/38/72/374893872.db2.gz CNKDVVYZIOUOPK-RQJABVFESA-N 0 1 274.320 2.104 20 5 CEBDMN COc1cc(CN2[C@@H](C)CCC[C@H]2CO)ccc1[N+](=O)[O-] ZINC000305878404 376525680 /nfs/dbraw/zinc/52/56/80/376525680.db2.gz SNHNIRLKUFSTTP-AAEUAGOBSA-N 0 1 294.351 2.339 20 5 CEBDMN C[C@@H]1CC[C@@H]([N@@H+](CCO)Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000330449558 377138001 /nfs/dbraw/zinc/13/80/01/377138001.db2.gz JDVOBLDYRHYAFV-DGCLKSJQSA-N 0 1 294.351 2.283 20 5 CEBDMN Cn1cnc([N+](=O)[O-])c1CSc1nc(C(C)(C)C)n[nH]1 ZINC000331047273 377257059 /nfs/dbraw/zinc/25/70/59/377257059.db2.gz GYQSWVYIDOQYHJ-UHFFFAOYSA-N 0 1 296.356 2.036 20 5 CEBDMN Cn1cnc([N+](=O)[O-])c1CSc1n[nH]c(C(C)(C)C)n1 ZINC000331047273 377257064 /nfs/dbraw/zinc/25/70/64/377257064.db2.gz GYQSWVYIDOQYHJ-UHFFFAOYSA-N 0 1 296.356 2.036 20 5 CEBDMN CCC[C@@H](C)C(=O)NCCNCc1ccccc1[N+](=O)[O-] ZINC000292822381 377298880 /nfs/dbraw/zinc/29/88/80/377298880.db2.gz XEBLIIFQGSPCNI-GFCCVEGCSA-N 0 1 293.367 2.237 20 5 CEBDMN Cc1noc([C@@H]2CCN(Cc3ccccc3[N+](=O)[O-])C2)n1 ZINC000332073476 377509548 /nfs/dbraw/zinc/50/95/48/377509548.db2.gz DOZDYFUOLYHYMH-GFCCVEGCSA-N 0 1 288.307 2.276 20 5 CEBDMN CN(CCC1CC1)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000135302366 249317754 /nfs/dbraw/zinc/31/77/54/249317754.db2.gz TXZOFVGSYKQOQG-UHFFFAOYSA-N 0 1 277.324 2.265 20 5 CEBDMN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CC[C@H](O)[C@H](C)C1 ZINC000186931040 249337038 /nfs/dbraw/zinc/33/70/38/249337038.db2.gz ZHRZNULIVJGQAV-SUNKGSAMSA-N 0 1 264.325 2.359 20 5 CEBDMN CN(CCCO)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000294056733 377889261 /nfs/dbraw/zinc/88/92/61/377889261.db2.gz JTLKNDTYCWDGGV-UHFFFAOYSA-N 0 1 292.257 2.428 20 5 CEBDMN COc1ccc([N+](=O)[O-])cc1CN(C)[C@@H](C)C(C)(C)O ZINC000295226493 378059274 /nfs/dbraw/zinc/05/92/74/378059274.db2.gz WHZPVXJESAPXCS-JTQLQIEISA-N 0 1 282.340 2.195 20 5 CEBDMN Cc1[nH]nc(C(=O)N(C)[C@H]2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC000299536709 379035139 /nfs/dbraw/zinc/03/51/39/379035139.db2.gz NHFNJZYGUUUXGU-SCZZXKLOSA-N 0 1 280.328 2.277 20 5 CEBDMN Cc1[nH]nc(C(=O)N(C)[C@H]2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000299529248 379032233 /nfs/dbraw/zinc/03/22/33/379032233.db2.gz LHSABGCSXOWNCY-SCZZXKLOSA-N 0 1 280.328 2.277 20 5 CEBDMN Cc1c(C[N@@H+]2CC[C@H](C)[C@@H](C(=O)[O-])C2)cccc1[N+](=O)[O-] ZINC000521042798 379513320 /nfs/dbraw/zinc/51/33/20/379513320.db2.gz QYPRWNIVMJPETF-GWCFXTLKSA-N 0 1 292.335 2.446 20 5 CEBDMN CN(Cc1ccc([N+](=O)[O-])cc1F)C[C@H]1CCC[C@H]1O ZINC000305294331 379702431 /nfs/dbraw/zinc/70/24/31/379702431.db2.gz GBLFCDKHRGRLGU-BXUZGUMPSA-N 0 1 282.315 2.327 20 5 CEBDMN CC(C)[C@@]1(C)C[C@@H]1NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000458112649 380012412 /nfs/dbraw/zinc/01/24/12/380012412.db2.gz HCKSYYLQJPRHHA-GXTWGEPZSA-N 0 1 278.308 2.465 20 5 CEBDMN O=[N+]([O-])c1cc(F)ccc1N1CC[C@@H](N2CC=CC2)C1 ZINC000266279043 285095852 /nfs/dbraw/zinc/09/58/52/285095852.db2.gz SXCOBXCLRIKLTA-GFCCVEGCSA-N 0 1 277.299 2.184 20 5 CEBDMN O=C([O-])[C@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000003756178 394454442 /nfs/dbraw/zinc/45/44/42/394454442.db2.gz JSMQXKIDAJNTOW-GFCCVEGCSA-N 0 1 264.281 2.034 20 5 CEBDMN CCN(Cc1ccccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000348276955 395141215 /nfs/dbraw/zinc/14/12/15/395141215.db2.gz QFPVRLSIMRRBKA-GFCCVEGCSA-N 0 1 250.298 2.206 20 5 CEBDMN C[C@H]1CN(c2ccc(F)cc2[N+](=O)[O-])[C@@H](C)CN1C ZINC000351509826 395225682 /nfs/dbraw/zinc/22/56/82/395225682.db2.gz MWRWZFZUTQGQGM-UWVGGRQHSA-N 0 1 267.304 2.263 20 5 CEBDMN Cc1[nH]nc(C(=O)N2C[C@@H](C)CCC[C@H]2C)c1[N+](=O)[O-] ZINC000408223458 395295660 /nfs/dbraw/zinc/29/56/60/395295660.db2.gz DLLOWSBBQQUNIA-DTWKUNHWSA-N 0 1 280.328 2.277 20 5 CEBDMN CN(CCn1cc([N+](=O)[O-])cn1)Cc1cc(F)cc(F)c1 ZINC000444697843 395447186 /nfs/dbraw/zinc/44/71/86/395447186.db2.gz ZICHSAHAMQNXEQ-UHFFFAOYSA-N 0 1 296.277 2.202 20 5 CEBDMN CC(C)c1[nH]nc(C(=O)N2CCC[C@H](F)C2)c1[N+](=O)[O-] ZINC000568138618 395549718 /nfs/dbraw/zinc/54/97/18/395549718.db2.gz RNJNZSKROAUMRX-QMMMGPOBSA-N 0 1 284.291 2.015 20 5 CEBDMN Cc1ccc(N2CCC[C@@H](c3nc[nH]n3)C2)c([N+](=O)[O-])c1 ZINC000371271149 292131785 /nfs/dbraw/zinc/13/17/85/292131785.db2.gz NACFCQIEGGPDPE-LLVKDONJSA-N 0 1 287.323 2.405 20 5 CEBDMN CC1=C[C@@H](C)CN(C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])C1 ZINC000436030387 400579383 /nfs/dbraw/zinc/57/93/83/400579383.db2.gz UYKBHURXRWYVGP-SECBINFHSA-N 0 1 292.339 2.480 20 5 CEBDMN O=[N+]([O-])c1cc(F)ccc1NCCN1CC=CCC1 ZINC000360101467 155216501 /nfs/dbraw/zinc/21/65/01/155216501.db2.gz LCBYRVPATXSOJN-UHFFFAOYSA-N 0 1 265.288 2.408 20 5 CEBDMN Cc1ccc(C[N@H+]2CCCC[C@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC000263426180 154082615 /nfs/dbraw/zinc/08/26/15/154082615.db2.gz QNMUGGCIVKXPHJ-LBPRGKRZSA-N 0 1 278.308 2.342 20 5 CEBDMN C[C@H](O)CCCN(C)Cc1ccccc1[N+](=O)[O-] ZINC000354871201 154359505 /nfs/dbraw/zinc/35/95/05/154359505.db2.gz MCMCRJIZIUUPGL-NSHDSACASA-N 0 1 252.314 2.188 20 5 CEBDMN C[C@H]1[C@H](C)N(Cc2csc([N+](=O)[O-])c2)CCN1C ZINC000356981480 154367951 /nfs/dbraw/zinc/36/79/51/154367951.db2.gz QPKJOKOXRMFDME-UWVGGRQHSA-N 0 1 269.370 2.181 20 5 CEBDMN Cc1cc(C)cc([C@@H]2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)c1 ZINC000368250025 156311821 /nfs/dbraw/zinc/31/18/21/156311821.db2.gz AYFZIKHEBKRNLM-BPLDGKMQSA-N 0 1 288.347 2.285 20 5 CEBDMN O=[N+]([O-])c1ccccc1CN1CCC[C@H]2COC[C@H]21 ZINC000368521704 156358433 /nfs/dbraw/zinc/35/84/33/156358433.db2.gz HXTGTYKUCBLMIP-GXTWGEPZSA-N 0 1 262.309 2.206 20 5 CEBDMN COc1ccc(CN2CC[C@H]3OCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000376028677 157180092 /nfs/dbraw/zinc/18/00/92/157180092.db2.gz KRQIMLDHZPWGSF-GXTWGEPZSA-N 0 1 292.335 2.214 20 5 CEBDMN CCNC(=O)[C@@H](C)N[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000540822408 298268660 /nfs/dbraw/zinc/26/86/60/298268660.db2.gz HJHXRNLNYCPQMY-WDEREUQCSA-N 0 1 279.340 2.078 20 5 CEBDMN CC[C@H](C)N(C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000170915821 162373427 /nfs/dbraw/zinc/37/34/27/162373427.db2.gz BUXIGLPEWVPZPX-NSHDSACASA-N 0 1 279.340 2.288 20 5 CEBDMN C[C@H](CO)[C@H](C)NCc1c(Cl)cccc1[N+](=O)[O-] ZINC000167080811 165036103 /nfs/dbraw/zinc/03/61/03/165036103.db2.gz RBAZAMSJUSLGDM-BDAKNGLRSA-N 0 1 272.732 2.355 20 5 CEBDMN Cc1ccc(CN2CCN(C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000878317814 651064978 /nfs/dbraw/zinc/06/49/78/651064978.db2.gz SGDSOZQQVWWSME-LBPRGKRZSA-N 0 1 263.341 2.039 20 5 CEBDMN C[C@H]1COCC[C@H]1NCc1c(F)cc([N+](=O)[O-])cc1F ZINC000285446462 196286670 /nfs/dbraw/zinc/28/66/70/196286670.db2.gz XSMXNFPALRWHQB-ISVAXAHUSA-N 0 1 286.278 2.388 20 5 CEBDMN O=C([C@H]1CC1[N+](=O)[O-])N1CCC(c2ccccc2)CC1 ZINC000044466594 175177815 /nfs/dbraw/zinc/17/78/15/175177815.db2.gz PVSAMNWBKVRQPM-UONOGXRCSA-N 0 1 274.320 2.058 20 5 CEBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(C)C(C)C ZINC000070944213 176016267 /nfs/dbraw/zinc/01/62/67/176016267.db2.gz VSPPSLIFVPTIJQ-UHFFFAOYSA-N 0 1 265.313 2.182 20 5 CEBDMN CCc1[nH]nc(C(=O)N2C[C@H](C)CC[C@H]2C)c1[N+](=O)[O-] ZINC000192664436 262207557 /nfs/dbraw/zinc/20/75/57/262207557.db2.gz HIOUHRNRRDNZBA-RKDXNWHRSA-N 0 1 280.328 2.141 20 5 CEBDMN COc1cc([N+](=O)[O-])ccc1CN1[C@@H](C)CC(O)C[C@@H]1C ZINC000430245578 271366413 /nfs/dbraw/zinc/36/64/13/271366413.db2.gz UBCIVNIUPXUNJD-QWRGUYRKSA-N 0 1 294.351 2.337 20 5 CEBDMN CCCN1CCN(c2cc(OC)c(F)cc2[N+](=O)[O-])CC1 ZINC000176902809 273614376 /nfs/dbraw/zinc/61/43/76/273614376.db2.gz PNBPGTJUNJRZFC-UHFFFAOYSA-N 0 1 297.330 2.275 20 5 CEBDMN CC[C@H](C)N1CCN(c2nc(C)ccc2[N+](=O)[O-])CC1 ZINC000295961608 273744255 /nfs/dbraw/zinc/74/42/55/273744255.db2.gz JNEGEEODTQTIDM-LBPRGKRZSA-N 0 1 278.356 2.219 20 5 CEBDMN C[C@@H]1CN(Cc2c(Cl)cccc2[N+](=O)[O-])C[C@@H]1CO ZINC000362091015 274353032 /nfs/dbraw/zinc/35/30/32/274353032.db2.gz QZJPQHGGVRSAHT-NXEZZACHSA-N 0 1 284.743 2.308 20 5 CEBDMN C[C@@H]1C[C@H](NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@@H](C)O1 ZINC000296842922 274406045 /nfs/dbraw/zinc/40/60/45/274406045.db2.gz OIJVAOBCXSLYKY-LNLATYFQSA-N 0 1 290.323 2.127 20 5 CEBDMN C[C@H](F)CCN1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000351846096 274501275 /nfs/dbraw/zinc/50/12/75/274501275.db2.gz ZTGKRWIJLVBURB-LBPRGKRZSA-N 0 1 281.331 2.465 20 5 CEBDMN Cc1cc(C)c([N+](=O)[O-])c(N2CCN(C3CCC3)CC2)n1 ZINC000408169743 274686232 /nfs/dbraw/zinc/68/62/32/274686232.db2.gz ALCZVAYRARQIHZ-UHFFFAOYSA-N 0 1 290.367 2.281 20 5 CEBDMN CCC[C@H](C)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000298116444 276040122 /nfs/dbraw/zinc/04/01/22/276040122.db2.gz OSLXPPZBWNIDNR-LBPRGKRZSA-N 0 1 278.356 2.300 20 5 CEBDMN CC(C)c1[nH]nc(C(=O)N2CC[C@@H](C)[C@H]2C)c1[N+](=O)[O-] ZINC000269336996 278000666 /nfs/dbraw/zinc/00/06/66/278000666.db2.gz BNOFPUXFHLCLJK-RKDXNWHRSA-N 0 1 280.328 2.312 20 5 CEBDMN CC1(C)CCC[C@@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000135241669 278227943 /nfs/dbraw/zinc/22/79/43/278227943.db2.gz QSKZDMIGQPJHBL-MRVPVSSYSA-N 0 1 266.301 2.017 20 5 CEBDMN C[C@@H]1[C@H](C)N(C)CCN1Cc1c(F)cccc1[N+](=O)[O-] ZINC000356977100 279102997 /nfs/dbraw/zinc/10/29/97/279102997.db2.gz CFEJEHCMCDEFMD-WDEREUQCSA-N 0 1 281.331 2.258 20 5 CEBDMN C[C@H]1CN(c2ccc(F)cc2[N+](=O)[O-])C[C@H](C)N1C ZINC000338792371 279882024 /nfs/dbraw/zinc/88/20/24/279882024.db2.gz GYKDHJMRNYMLBO-UWVGGRQHSA-N 0 1 267.304 2.263 20 5 CEBDMN Cc1[nH]nc(C(=O)N2Cc3ccc(C)cc3C2)c1[N+](=O)[O-] ZINC000361333164 280189469 /nfs/dbraw/zinc/18/94/69/280189469.db2.gz ZQFOZBHOFKFSMV-UHFFFAOYSA-N 0 1 286.291 2.091 20 5 CEBDMN C[C@H](NCCOc1ccccc1[N+](=O)[O-])c1ccn(C)n1 ZINC000459802765 290245672 /nfs/dbraw/zinc/24/56/72/290245672.db2.gz YXGMTWCJDZGMRK-NSHDSACASA-N 0 1 290.323 2.058 20 5 CEBDMN Cc1cnc(N2CCN(C)[C@H](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000487065043 290329961 /nfs/dbraw/zinc/32/99/61/290329961.db2.gz QCQCHUFIKBTYQB-ZDUSSCGKSA-N 0 1 278.356 2.075 20 5 CEBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCC(=O)NCC1CC1 ZINC000540918115 298270786 /nfs/dbraw/zinc/27/07/86/298270786.db2.gz GIPPJZAOJFQLBP-LLVKDONJSA-N 0 1 291.351 2.080 20 5 CEBDMN O=[N+]([O-])c1ccc(CNC[C@H]2CCCO2)c(F)c1 ZINC000386676129 321872889 /nfs/dbraw/zinc/87/28/89/321872889.db2.gz XQCZIMUHRIJFJT-LLVKDONJSA-N 0 1 254.261 2.003 20 5 CEBDMN C[C@H]1CC[C@@H](C(=O)[O-])C[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000397007390 329319524 /nfs/dbraw/zinc/31/95/24/329319524.db2.gz LSJOUKBYOZJZIT-WCQYABFASA-N 0 1 292.335 2.322 20 5 CEBDMN Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc2[nH]nnc2c1 ZINC000176729756 534335540 /nfs/dbraw/zinc/33/55/40/534335540.db2.gz JHFXSMKWQLTYNO-UHFFFAOYSA-N 0 1 297.274 2.427 20 5 CEBDMN O=C(Nc1cnn(C(F)F)c1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000355947531 534464386 /nfs/dbraw/zinc/46/43/86/534464386.db2.gz KBNBXSQBVOSBRN-UHFFFAOYSA-N 0 1 298.205 2.144 20 5 CEBDMN CN(C)[C@@H](CNc1ncccc1[N+](=O)[O-])c1ccco1 ZINC000067949174 522035306 /nfs/dbraw/zinc/03/53/06/522035306.db2.gz NRJRGERZXGHYSA-NSHDSACASA-N 0 1 276.296 2.298 20 5 CEBDMN Cc1c(C[N@H+](C)C(C)(C)C(=O)[O-])cccc1[N+](=O)[O-] ZINC000061171801 525702943 /nfs/dbraw/zinc/70/29/43/525702943.db2.gz SUJAOZVCICZEOZ-UHFFFAOYSA-N 0 1 266.297 2.198 20 5 CEBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC(Cc2ccccc2Cl)C1 ZINC000374548005 526507237 /nfs/dbraw/zinc/50/72/37/526507237.db2.gz ISJFCXQREFCKSC-DGCLKSJQSA-N 0 1 294.738 2.006 20 5 CEBDMN O=[N+]([O-])c1cccc(F)c1N[C@H]1CCN(C2CC2)C1 ZINC000156422079 527389600 /nfs/dbraw/zinc/38/96/00/527389600.db2.gz MAWGWRMRJQYZGV-VIFPVBQESA-N 0 1 265.288 2.383 20 5 CEBDMN O=C(Nc1n[nH]c(C2CCC2)n1)c1ccc([N+](=O)[O-])cc1 ZINC000184608289 527496462 /nfs/dbraw/zinc/49/64/62/527496462.db2.gz RYDLWNVVAFYBOE-UHFFFAOYSA-N 0 1 287.279 2.233 20 5 CEBDMN O=C(Nc1nc(C2CCC2)n[nH]1)c1ccc([N+](=O)[O-])cc1 ZINC000184608289 527496459 /nfs/dbraw/zinc/49/64/59/527496459.db2.gz RYDLWNVVAFYBOE-UHFFFAOYSA-N 0 1 287.279 2.233 20 5 CEBDMN C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)CCCNC(=O)[O-] ZINC000739059784 574891461 /nfs/dbraw/zinc/89/14/61/574891461.db2.gz POHLRLFEJPOGKA-JTQLQIEISA-N 0 1 281.312 2.245 20 5 CEBDMN CO[C@]1(C)C[C@@H](OC(=O)c2ccc([N+](=O)[O-])[nH]2)C1(C)C ZINC000747330239 575169451 /nfs/dbraw/zinc/16/94/51/575169451.db2.gz MSWBUKQMYXDOGN-NOZJJQNGSA-N 0 1 282.296 2.283 20 5 CEBDMN O=[N+]([O-])c1ccc2nc(NCCN3CCC3)sc2c1 ZINC000751941564 575301925 /nfs/dbraw/zinc/30/19/25/575301925.db2.gz VEPFLFPLNYGEAK-UHFFFAOYSA-N 0 1 278.337 2.322 20 5 CEBDMN CC[N@@H+](CC(=O)[O-])Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000093633504 601113215 /nfs/dbraw/zinc/11/32/15/601113215.db2.gz GIIULZAXOJBNTK-UHFFFAOYSA-N 0 1 272.688 2.155 20 5 CEBDMN C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)CC(C)(C)CNC(=O)[O-] ZINC000828360579 603544395 /nfs/dbraw/zinc/54/43/95/603544395.db2.gz ZMQRVBLRNCDFER-UHFFFAOYSA-N 0 1 295.339 2.320 20 5 CEBDMN O=C(CNCc1cccc([N+](=O)[O-])c1)NC1CCCCC1 ZINC000052926395 625065103 /nfs/dbraw/zinc/06/51/03/625065103.db2.gz ATEREYUDUNLLAX-UHFFFAOYSA-N 0 1 291.351 2.133 20 5 CEBDMN COc1c(O)ccc(CNCCOC(C)(C)C)c1[N+](=O)[O-] ZINC000892745136 627744364 /nfs/dbraw/zinc/74/43/64/627744364.db2.gz KXDRPBNPWUMULF-UHFFFAOYSA-N 0 1 298.339 2.214 20 5 CEBDMN O=C(NCCC1CCC1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000122734038 628039905 /nfs/dbraw/zinc/03/99/05/628039905.db2.gz UZYGRUYSCOHHEE-UHFFFAOYSA-N 0 1 288.307 2.391 20 5 CEBDMN CSCc1ccccc1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000840416540 634648900 /nfs/dbraw/zinc/64/89/00/634648900.db2.gz AJWUZWFMYDKDGA-MWLCHTKSSA-N 0 1 266.322 2.153 20 5 CEBDMN Cn1ncc(CNCc2ccc([N+](=O)[O-])cc2)c1C1CC1 ZINC000893330440 628339169 /nfs/dbraw/zinc/33/91/69/628339169.db2.gz YDNOALPZOSXMRK-UHFFFAOYSA-N 0 1 286.335 2.496 20 5 CEBDMN CCOC1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000178577847 628952242 /nfs/dbraw/zinc/95/22/42/628952242.db2.gz NQQZIWNKRJNLFO-HNNXBMFYSA-N 0 1 294.351 2.129 20 5 CEBDMN Cc1ccc([N+](=O)[O-])cc1-c1nc(C2(N)CCC2)no1 ZINC000261754890 629183232 /nfs/dbraw/zinc/18/32/32/629183232.db2.gz MADNCIVUXWPVOW-UHFFFAOYSA-N 0 1 274.280 2.291 20 5 CEBDMN Cc1nc([C@H](C)NCc2ccc([N+](=O)[O-])cc2F)n[nH]1 ZINC000894771965 629626528 /nfs/dbraw/zinc/62/65/28/629626528.db2.gz CDGKYCFNXILKMO-ZETCQYMHSA-N 0 1 279.275 2.011 20 5 CEBDMN O=[N+]([O-])c1ccc(CNCCO[C@@H]2CCCCO2)c(F)c1 ZINC000894798196 629646948 /nfs/dbraw/zinc/64/69/48/629646948.db2.gz COYNWZBXLCDQTK-CQSZACIVSA-N 0 1 298.314 2.367 20 5 CEBDMN CO[C@@H]1CC[C@@H]1[N@@H+](C)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000902636059 634755897 /nfs/dbraw/zinc/75/58/97/634755897.db2.gz DURHMDMTXATTPE-GXTWGEPZSA-N 0 1 290.323 2.011 20 5 CEBDMN CO[C@@H]1CC[C@@H]1N(C)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000902636059 634755902 /nfs/dbraw/zinc/75/59/02/634755902.db2.gz DURHMDMTXATTPE-GXTWGEPZSA-N 0 1 290.323 2.011 20 5 CEBDMN COC(=O)[C@H]1C[C@@H](NCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000895435315 630183752 /nfs/dbraw/zinc/18/37/52/630183752.db2.gz ZPAHSBJIKIMXTJ-JGZJWPJOSA-N 0 1 298.726 2.289 20 5 CEBDMN CC(=O)c1ccc(N[C@H]2CCN(C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000895736308 630326636 /nfs/dbraw/zinc/32/66/36/630326636.db2.gz KDXGHQXUDNNYKT-SKDRFNHKSA-N 0 1 277.324 2.302 20 5 CEBDMN CN1CC[C@H]1CNc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000895771294 630339917 /nfs/dbraw/zinc/33/99/17/630339917.db2.gz JTGPMUSRYSFJME-VIFPVBQESA-N 0 1 287.266 2.312 20 5 CEBDMN O=[N+]([O-])c1sccc1NC[C@@H]1CCN1C1CCOCC1 ZINC000896517757 630587100 /nfs/dbraw/zinc/58/71/00/630587100.db2.gz JCUHFTMTQPKMGH-NSHDSACASA-N 0 1 297.380 2.322 20 5 CEBDMN C[C@H](NCC(C)(C)CO)c1c(F)cccc1[N+](=O)[O-] ZINC000872052001 631241473 /nfs/dbraw/zinc/24/14/73/631241473.db2.gz MAXIWKNFUSLOKF-VIFPVBQESA-N 0 1 270.304 2.403 20 5 CEBDMN O=[N+]([O-])c1cccc([N+](=O)[O-])c1N[C@@H]1CCN(C2CC2)C1 ZINC000804378002 631672897 /nfs/dbraw/zinc/67/28/97/631672897.db2.gz XMLOXJLEDCCCHN-SECBINFHSA-N 0 1 292.295 2.152 20 5 CEBDMN C[C@H](c1ccc(F)cc1)N(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840250313 632517656 /nfs/dbraw/zinc/51/76/56/632517656.db2.gz ZVVBCEBKIGYOTP-GGZOMVNGSA-N 0 1 266.272 2.010 20 5 CEBDMN CCCN(Cc1ccc(C)cc1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840253395 632521601 /nfs/dbraw/zinc/52/16/01/632521601.db2.gz MUCYPCXXRZHOME-ZIAGYGMSSA-N 0 1 276.336 2.399 20 5 CEBDMN Cc1cc(CN[C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)[nH]n1 ZINC000815583047 633034800 /nfs/dbraw/zinc/03/48/00/633034800.db2.gz VSRFHWNXNJIXBC-VIFPVBQESA-N 0 1 275.312 2.059 20 5 CEBDMN Cc1cc(CN[C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)n[nH]1 ZINC000815583047 633034807 /nfs/dbraw/zinc/03/48/07/633034807.db2.gz VSRFHWNXNJIXBC-VIFPVBQESA-N 0 1 275.312 2.059 20 5 CEBDMN Cc1cccc(Cl)c1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000840367781 633998673 /nfs/dbraw/zinc/99/86/73/633998673.db2.gz BSXUWYLIUCXIAI-VXNVDRBHSA-N 0 1 254.673 2.252 20 5 CEBDMN CC[N@@H+](CC(=O)[O-])Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000901427049 634106329 /nfs/dbraw/zinc/10/63/29/634106329.db2.gz ZSJKBIWWGXSHSN-UHFFFAOYSA-N 0 1 266.297 2.118 20 5 CEBDMN C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H]2[C@@H](C1)[C@H]2C(=O)[O-] ZINC000903627933 635190051 /nfs/dbraw/zinc/19/00/51/635190051.db2.gz UZBOYVGYKZOUKP-ZKCLLBTKSA-N 0 1 290.319 2.308 20 5 CEBDMN O=C([O-])[C@]12C[C@H]1CCC[N@H+]2Cc1ccccc1[N+](=O)[O-] ZINC000903936681 635361859 /nfs/dbraw/zinc/36/18/59/635361859.db2.gz RHPWBZHDFQMKHB-RISCZKNCSA-N 0 1 276.292 2.034 20 5 CEBDMN CC(C)COc1cccc(CNCC[N+](=O)[O-])c1 ZINC000905068642 635810425 /nfs/dbraw/zinc/81/04/25/635810425.db2.gz QASNILGRSQOUMU-UHFFFAOYSA-N 0 1 252.314 2.088 20 5 CEBDMN Cc1ccc([N+](=O)[O-])c(C)c1CN1CCC(O)CC1 ZINC000876540819 650313900 /nfs/dbraw/zinc/31/39/00/650313900.db2.gz NVFHBOIBQURAMR-UHFFFAOYSA-N 0 1 264.325 2.168 20 5 CEBDMN CC(C)OCCC(=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837419123 639221888 /nfs/dbraw/zinc/22/18/88/639221888.db2.gz ISZUUJICUHEARJ-UHFFFAOYSA-N 0 1 283.280 2.159 20 5 CEBDMN Cc1nc(CNC2CC(n3cc([N+](=O)[O-])cn3)C2)cs1 ZINC000876913165 650483348 /nfs/dbraw/zinc/48/33/48/650483348.db2.gz BPVLZCXJBJFKMY-UHFFFAOYSA-N 0 1 293.352 2.050 20 5 CEBDMN CC(C)O[C@H](COC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccccc1 ZINC000840673837 639521104 /nfs/dbraw/zinc/52/11/04/639521104.db2.gz APPYTKIBYYBICN-MGPQQGTHSA-N 0 1 293.319 2.361 20 5 CEBDMN CCc1nc(C(C)C)ccc1COC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840674032 639521506 /nfs/dbraw/zinc/52/15/06/639521506.db2.gz DRJGVYHPILUAKD-BXUZGUMPSA-N 0 1 292.335 2.476 20 5 CEBDMN O=C(OCc1ccc(Cl)cc1F)[C@@H]1CC1[N+](=O)[O-] ZINC000840673591 639521582 /nfs/dbraw/zinc/52/15/82/639521582.db2.gz UJWYSDMUXHSVCM-PSASIEDQSA-N 0 1 273.647 2.188 20 5 CEBDMN O=[N+]([O-])c1ccc(F)cc1CN(CCCCO)C1CC1 ZINC000172351551 639760246 /nfs/dbraw/zinc/76/02/46/639760246.db2.gz ZOIQHXPBQDTHEY-UHFFFAOYSA-N 0 1 282.315 2.471 20 5 CEBDMN C[C@H]1CCCN1Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000173527009 639864142 /nfs/dbraw/zinc/86/41/42/639864142.db2.gz DTEJPRGMPYCSMP-NSHDSACASA-N 0 1 287.323 2.295 20 5 CEBDMN O=C(O[C@@H](c1ccccc1)c1cccnc1)[C@@H]1CC1[N+](=O)[O-] ZINC000842300976 640003997 /nfs/dbraw/zinc/00/39/97/640003997.db2.gz GPPHOPZVAGHHPD-KFWWJZLASA-N 0 1 298.298 2.379 20 5 CEBDMN C[C@@H](COC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1ccc(F)cc1 ZINC000842339459 640020895 /nfs/dbraw/zinc/02/08/95/640020895.db2.gz OANXZRMDWBGUMB-OASPWFOLSA-N 0 1 281.283 2.213 20 5 CEBDMN CC(C)[C@@H](N)c1noc(CNc2ccccc2[N+](=O)[O-])n1 ZINC000843147589 640306009 /nfs/dbraw/zinc/30/60/09/640306009.db2.gz BMOISSUQTQMCII-GFCCVEGCSA-N 0 1 291.311 2.246 20 5 CEBDMN Cc1ncc([N+](=O)[O-])cc1-c1nc([C@@H](N)C(C)C)no1 ZINC000843148296 640307574 /nfs/dbraw/zinc/30/75/74/640307574.db2.gz PGDFDRSWALLBJW-JTQLQIEISA-N 0 1 277.284 2.004 20 5 CEBDMN C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])s1)N1CCCCC1 ZINC000917838151 640920591 /nfs/dbraw/zinc/92/05/91/640920591.db2.gz JJSYJVRAEOVWIW-JTQLQIEISA-N 0 1 297.380 2.261 20 5 CEBDMN CC[C@H](OCCOC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccccc1 ZINC000845174080 640921298 /nfs/dbraw/zinc/92/12/98/640921298.db2.gz BHMVFKLYLPEHNQ-MCIONIFRSA-N 0 1 293.319 2.363 20 5 CEBDMN CCCN(C)CN1CCN(c2ccccc2[N+](=O)[O-])C1=O ZINC000154722880 640959087 /nfs/dbraw/zinc/95/90/87/640959087.db2.gz QBQLRRAEWBMPDA-UHFFFAOYSA-N 0 1 292.339 2.136 20 5 CEBDMN O=C([O-])[C@@]12CCC[C@@H]1C[N@@H+](Cc1ccccc1[N+](=O)[O-])C2 ZINC000846286076 641260498 /nfs/dbraw/zinc/26/04/98/641260498.db2.gz XXWYUONJBJHHCO-IUODEOHRSA-N 0 1 290.319 2.282 20 5 CEBDMN O=[N+]([O-])c1cccc(CNCc2cnn(CCF)c2)c1 ZINC000921619852 642276742 /nfs/dbraw/zinc/27/67/42/642276742.db2.gz QLIUHJQFKVAJFI-UHFFFAOYSA-N 0 1 278.287 2.051 20 5 CEBDMN CCC(=O)NC1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001002192588 642758748 /nfs/dbraw/zinc/75/87/48/642758748.db2.gz NUXIPUXVACIKDF-UHFFFAOYSA-N 0 1 291.351 2.085 20 5 CEBDMN CC1(C)Cc2cc(COC(=O)[C@@H]3CC3[N+](=O)[O-])ccc2O1 ZINC000851457917 643023939 /nfs/dbraw/zinc/02/39/39/643023939.db2.gz COWPHNWAZJOIEE-VXGBXAGGSA-N 0 1 291.303 2.109 20 5 CEBDMN C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839489023 644239561 /nfs/dbraw/zinc/23/95/61/644239561.db2.gz UKJCWSNZOMZCSH-JWKOBGCHSA-N 0 1 284.262 2.149 20 5 CEBDMN CC(C)(C)[C@H]1CCCC[C@H]1NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839508297 644245269 /nfs/dbraw/zinc/24/52/69/644245269.db2.gz GRYBXVFNYYIAGI-WRWGMCAJSA-N 0 1 268.357 2.373 20 5 CEBDMN Cc1ccc([C@H](C)N(C)C(=O)[C@@H]2CC2[N+](=O)[O-])c(C)c1 ZINC000839509546 644245678 /nfs/dbraw/zinc/24/56/78/644245678.db2.gz RSAXJYWWJHMHJK-IACUBPJLSA-N 0 1 276.336 2.488 20 5 CEBDMN O=[N+]([O-])c1cnc2c(c1)CN(C/C=C\Cl)CC2 ZINC000754217869 644342152 /nfs/dbraw/zinc/34/21/52/644342152.db2.gz FTIFYQCZZXVXQM-IWQZZHSRSA-N 0 1 253.689 2.100 20 5 CEBDMN CCC1(CC)CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000855822344 644497638 /nfs/dbraw/zinc/49/76/38/644497638.db2.gz JKGIQRLCHVJMSE-GHMZBOCLSA-N 0 1 254.330 2.080 20 5 CEBDMN CC(C)Oc1ccccc1[C@H](C)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839540026 644742166 /nfs/dbraw/zinc/74/21/66/644742166.db2.gz UWRRCFFRGVRACN-CYZMBNFOSA-N 0 1 292.335 2.316 20 5 CEBDMN Cc1c(Br)cccc1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839629820 644759685 /nfs/dbraw/zinc/75/96/85/644759685.db2.gz OOPUJGCFZKMLQB-GMSGAONNSA-N 0 1 299.124 2.361 20 5 CEBDMN CC[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1cc(F)ccc1F ZINC000839692819 644775551 /nfs/dbraw/zinc/77/55/51/644775551.db2.gz MSWVSOCEURSMCY-YUSALJHKSA-N 0 1 284.262 2.197 20 5 CEBDMN Cc1c2ccccc2oc1CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839682533 644783505 /nfs/dbraw/zinc/78/35/05/644783505.db2.gz FFQUSDQSEQATPC-GHMZBOCLSA-N 0 1 274.276 2.023 20 5 CEBDMN C[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccc2ncsc2c1 ZINC000839728401 644794406 /nfs/dbraw/zinc/79/44/06/644794406.db2.gz KDDRNFXQRUTKRQ-JVUFJMBOSA-N 0 1 291.332 2.139 20 5 CEBDMN Cc1ccc(SC[C@@H](C)NC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC000839727844 644794446 /nfs/dbraw/zinc/79/44/46/644794446.db2.gz FSPFPVQSLALYFS-RAIGVLPGSA-N 0 1 294.376 2.257 20 5 CEBDMN CC(F)(F)c1ccccc1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839782336 644816382 /nfs/dbraw/zinc/81/63/82/644816382.db2.gz GHBCBSGTWMSUTA-GMSGAONNSA-N 0 1 270.235 2.402 20 5 CEBDMN Cc1cc(NCCN2CC[C@@H](O)C2)c(Cl)cc1[N+](=O)[O-] ZINC000858812144 645262454 /nfs/dbraw/zinc/26/24/54/645262454.db2.gz LLBSZVIHMZWHTK-SNVBAGLBSA-N 0 1 299.758 2.035 20 5 CEBDMN CC(C)[C@H]1C[C@@H]1COC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000774846804 646901840 /nfs/dbraw/zinc/90/18/40/646901840.db2.gz DZDDAFZALXECSF-RKDXNWHRSA-N 0 1 252.270 2.372 20 5 CEBDMN CC(C)N(Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C[C@H](C)O ZINC000774879076 646905770 /nfs/dbraw/zinc/90/57/70/646905770.db2.gz ICGCNJKGHFBSEQ-JTQLQIEISA-N 0 1 297.311 2.094 20 5 CEBDMN CC[C@H]1CN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCS1 ZINC000776589251 647075992 /nfs/dbraw/zinc/07/59/92/647075992.db2.gz QMHGOIPTSIGZJJ-UONOGXRCSA-N 0 1 296.392 2.456 20 5 CEBDMN Cc1nn(CN2CCC[C@H]2C(C)C)cc1[N+](=O)[O-] ZINC000779858466 647365694 /nfs/dbraw/zinc/36/56/94/647365694.db2.gz FNMIFOOEVGTAPL-NSHDSACASA-N 0 1 252.318 2.178 20 5 CEBDMN CN1CCN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1(C)C ZINC000865914390 647534098 /nfs/dbraw/zinc/53/40/98/647534098.db2.gz KSLNHEBBSGJFJF-UHFFFAOYSA-N 0 1 294.311 2.033 20 5 CEBDMN COCCCN(C)Cn1nc(C)c2ccc([N+](=O)[O-])cc21 ZINC000121120693 647834895 /nfs/dbraw/zinc/83/48/95/647834895.db2.gz BVBZSCXXRQLMPD-UHFFFAOYSA-N 0 1 292.339 2.179 20 5 CEBDMN C[C@@H]1CCC[C@H]1NC(=O)[C@](C)(N)c1cccc([N+](=O)[O-])c1 ZINC000867956703 648001040 /nfs/dbraw/zinc/00/10/40/648001040.db2.gz SDDOCIDSSUTYFP-WDBKCZKBSA-N 0 1 291.351 2.074 20 5 CEBDMN COCCc1cccc(OC(=O)c2ccc([N+](=O)[O-])[nH]2)c1 ZINC000786763764 648043194 /nfs/dbraw/zinc/04/31/94/648043194.db2.gz SZZVZTKEVFEEOR-UHFFFAOYSA-N 0 1 290.275 2.331 20 5 CEBDMN C[C@@H]1C[C@@H](C)N1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000791564907 648543826 /nfs/dbraw/zinc/54/38/26/648543826.db2.gz BOYWTISUHRMPNS-BREBYQMCSA-N 0 1 250.298 2.111 20 5 CEBDMN CC(C)(C)Oc1cccc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 ZINC000888556467 649027120 /nfs/dbraw/zinc/02/71/20/649027120.db2.gz CTCRUIANPOZSRX-VXGBXAGGSA-N 0 1 278.308 2.468 20 5 CEBDMN CCN1CC[C@H]1CNC(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000879123070 651247087 /nfs/dbraw/zinc/24/70/87/651247087.db2.gz ZJLFWGCDJADCAU-LBPRGKRZSA-N 0 1 292.339 2.119 20 5 CEBDMN CC1(F)CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000879381970 651295277 /nfs/dbraw/zinc/29/52/77/651295277.db2.gz NWJOIYVYCFPUEC-ZDUSSCGKSA-N 0 1 282.315 2.452 20 5 CEBDMN O=[N+]([O-])c1ccc([O-])cc1C[N@H+]1CC[C@@H](CF)C1 ZINC000880298995 651419196 /nfs/dbraw/zinc/41/91/96/651419196.db2.gz MVQXOUSEEJNCMI-VIFPVBQESA-N 0 1 254.261 2.092 20 5 CEBDMN COC(=O)c1ccc([N+](=O)[O-])c(CN2CC[C@H](CF)C2)c1 ZINC000880300226 651419870 /nfs/dbraw/zinc/41/98/70/651419870.db2.gz PQUVUKCQLQVLMD-SNVBAGLBSA-N 0 1 296.298 2.173 20 5 CEBDMN Cc1noc(CN[C@@H]2CCC[C@]23CCCO3)c1[N+](=O)[O-] ZINC000880499800 651451156 /nfs/dbraw/zinc/45/11/56/651451156.db2.gz UWZIZQDXNPPICJ-YPMHNXCESA-N 0 1 281.312 2.083 20 5 CEBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC[C@H](CF)C1 ZINC000881598211 651814801 /nfs/dbraw/zinc/81/48/01/651814801.db2.gz BUTOHXVHQKVYGX-SECBINFHSA-N 0 1 282.271 2.122 20 5 CEBDMN CCN1CC[C@@H]1CNc1ccc([N+](=O)[O-])c(OC(C)C)n1 ZINC000882959025 652289591 /nfs/dbraw/zinc/28/95/91/652289591.db2.gz SAKPUZQSKCAQLA-LLVKDONJSA-N 0 1 294.355 2.283 20 5 CEBDMN C[C@H]1CN(c2cc(Cl)ncc2[N+](=O)[O-])[C@@H](C)CN1C ZINC001164642314 719168668 /nfs/dbraw/zinc/16/86/68/719168668.db2.gz XJDBMFKOCUGGMF-IUCAKERBSA-N 0 1 284.747 2.172 20 5 CEBDMN Cc1cnc(N2CCN(CC(C)C)CC2)c([N+](=O)[O-])c1 ZINC000078625727 719329447 /nfs/dbraw/zinc/32/94/47/719329447.db2.gz DUEAHSVYSZGNPP-UHFFFAOYSA-N 0 1 278.356 2.076 20 5 CEBDMN COC(=O)c1ccnnc1Nc1ccc(F)cc1[N+](=O)[O-] ZINC001210952387 802757989 /nfs/dbraw/zinc/75/79/89/802757989.db2.gz FLSOTFYPDLLXOZ-UHFFFAOYSA-N 0 1 292.226 2.054 20 5 CEBDMN C[C@@H](NCC(=O)N1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000135110602 803156108 /nfs/dbraw/zinc/15/61/08/803156108.db2.gz PKWXFTTVLFHCMB-GFCCVEGCSA-N 0 1 291.351 2.258 20 5 CEBDMN C[C@H](NC[C@@](C)(O)C(F)F)c1ccccc1[N+](=O)[O-] ZINC000698567948 807247683 /nfs/dbraw/zinc/24/76/83/807247683.db2.gz DKEGLAPJSYVXRA-QPUJVOFHSA-N 0 1 274.267 2.262 20 5 CEBDMN Cc1cc(CNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])n[nH]1 ZINC000716513091 815134477 /nfs/dbraw/zinc/13/44/77/815134477.db2.gz MWIHTZGYWIMUKT-UHFFFAOYSA-N 0 1 277.240 2.147 20 5 CEBDMN CC[C@]1(O)CCCN(Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000710630320 810001696 /nfs/dbraw/zinc/00/16/96/810001696.db2.gz AGNZILQBGIIHCV-AWEZNQCLSA-N 0 1 282.315 2.471 20 5 CEBDMN CN1CCC[C@@H](Oc2ccc(Cl)nc2[N+](=O)[O-])C1 ZINC001230871880 810561445 /nfs/dbraw/zinc/56/14/45/810561445.db2.gz HFSHQCKFMXGIBS-MRVPVSSYSA-N 0 1 271.704 2.116 20 5 CEBDMN O=[N+]([O-])c1cc(F)cnc1N[C@@H]1CNCc2ccsc21 ZINC001155558642 811084611 /nfs/dbraw/zinc/08/46/11/811084611.db2.gz FWLGMEWBCMMLQH-SECBINFHSA-N 0 1 294.311 2.447 20 5 CEBDMN COc1cc(F)c([N+](=O)[O-])c(N2CCc3cn[nH]c3C2)c1 ZINC000771257203 811957141 /nfs/dbraw/zinc/95/71/41/811957141.db2.gz IUXMQWWCTNGKNT-UHFFFAOYSA-N 0 1 292.270 2.028 20 5 CEBDMN NCc1nccn1[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172895185 815542627 /nfs/dbraw/zinc/54/26/27/815542627.db2.gz ALZXJHPGDQYFLF-CYBMUJFWSA-N 0 1 286.335 2.370 20 5 CEBDMN CC[C@](N)(CO)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC001170863174 813559790 /nfs/dbraw/zinc/55/97/90/813559790.db2.gz BQWJTZCYHRNAFD-SNVBAGLBSA-N 0 1 293.245 2.083 20 5 CEBDMN CC[C@@](N)(CO)Nc1cc(OC(C)C)c([N+](=O)[O-])cc1C ZINC001170864991 813561290 /nfs/dbraw/zinc/56/12/90/813561290.db2.gz BKYVFVKLFBESBW-AWEZNQCLSA-N 0 1 297.355 2.160 20 5 CEBDMN CCN1CCN(c2ccc(C)cc2[N+](=O)[O-])C[C@H]1C ZINC000754081038 814118681 /nfs/dbraw/zinc/11/86/81/814118681.db2.gz WVCLQXMMNNRTTN-GFCCVEGCSA-N 0 1 263.341 2.434 20 5 CEBDMN CCC(=O)CN[C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173185518 815617326 /nfs/dbraw/zinc/61/73/26/815617326.db2.gz ZSGDLQLVFFVSAH-VIFPVBQESA-N 0 1 298.314 2.242 20 5 CEBDMN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CCc2ncncc2C1 ZINC001173227013 815630613 /nfs/dbraw/zinc/63/06/13/815630613.db2.gz MBXIFRFOBKZRHI-LBPRGKRZSA-N 0 1 298.346 2.374 20 5 CEBDMN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CCCC12COC2 ZINC001173228455 815631433 /nfs/dbraw/zinc/63/14/33/815631433.db2.gz XDLQRHOMRMQHQT-GFCCVEGCSA-N 0 1 276.336 2.391 20 5 CEBDMN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CCn2cncc2C1 ZINC001173234005 815632590 /nfs/dbraw/zinc/63/25/90/815632590.db2.gz NVNLCGWOZSVHQU-LBPRGKRZSA-N 0 1 286.335 2.238 20 5 CEBDMN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)NCc1ncco1 ZINC001173213084 815636572 /nfs/dbraw/zinc/63/65/72/815636572.db2.gz DPNQKUGNXHIMGR-JTQLQIEISA-N 0 1 261.281 2.304 20 5 CEBDMN COc1nc(Nc2ccc(C=C[N+](=O)[O-])cc2)cc(=O)[nH]1 ZINC001175899232 816302537 /nfs/dbraw/zinc/30/25/37/816302537.db2.gz POCPRBIOWKOKNQ-VOTSOKGWSA-N 0 1 288.263 2.182 20 5 CEBDMN CCc1nc(CNc2ccc([N+](=O)[O-])c(C)c2)n[nH]1 ZINC000294950988 199267560 /nfs/dbraw/zinc/26/75/60/199267560.db2.gz MKWQIHDTSCPKKW-UHFFFAOYSA-N 0 1 261.285 2.196 20 5 CEBDMN O=c1cc(C[C@H]2CCCO2)[nH]n1-c1cccc([N+](=O)[O-])c1 ZINC000601931201 346929428 /nfs/dbraw/zinc/92/94/28/346929428.db2.gz GNBCNQSLKLWMLT-CYBMUJFWSA-N 0 1 289.291 2.257 20 5 CEBDMN COc1cc([N+](=O)[O-])ccc1-n1[nH]c(C)c(C2CC2)c1=O ZINC000601936077 346932414 /nfs/dbraw/zinc/93/24/14/346932414.db2.gz OXONAZYKOKPYFJ-CYBMUJFWSA-N 0 1 289.291 2.352 20 5 CEBDMN C[C@@H]1CCc2c(=O)n(-c3ccc([N+](=O)[O-])cc3F)[nH]c21 ZINC000601941372 346934358 /nfs/dbraw/zinc/93/43/58/346934358.db2.gz AEKRFBQHICGFAR-VXNVDRBHSA-N 0 1 277.255 2.483 20 5 CEBDMN C[C@@H]1CCc2c(=O)n(-c3ccc([N+](=O)[O-])cc3F)[nH]c21 ZINC000601941369 346934381 /nfs/dbraw/zinc/93/43/81/346934381.db2.gz AEKRFBQHICGFAR-APPZFPTMSA-N 0 1 277.255 2.483 20 5 CEBDMN Cc1cc(OCc2nc(C(C)(C)N)no2)ccc1[N+](=O)[O-] ZINC000043402659 343463711 /nfs/dbraw/zinc/46/37/11/343463711.db2.gz WLSVMKUOPSNAEN-UHFFFAOYSA-N 0 1 292.295 2.059 20 5 CEBDMN CCN(C)C(=O)[C@@H](NCc1cccc([N+](=O)[O-])c1)C(C)C ZINC000295057295 199322770 /nfs/dbraw/zinc/32/27/70/199322770.db2.gz NZEFFWYHBIJCTI-AWEZNQCLSA-N 0 1 293.367 2.187 20 5 CEBDMN C[C@@H](NC(=O)[C@@H]1CCCCN1C)c1ccccc1[N+](=O)[O-] ZINC000602133271 346980811 /nfs/dbraw/zinc/98/08/11/346980811.db2.gz QXYGZKIREHKFGO-RISCZKNCSA-N 0 1 291.351 2.256 20 5 CEBDMN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@H](O)C1 ZINC000048417261 362268087 /nfs/dbraw/zinc/26/80/87/362268087.db2.gz WGTHMNLIZGWSDD-MFKMUULPSA-N 0 1 250.298 2.113 20 5 CEBDMN CCn1cc([C@H](C)NCc2cc(O)ccc2[N+](=O)[O-])cn1 ZINC000449668115 282323887 /nfs/dbraw/zinc/32/38/87/282323887.db2.gz KCWQJIKIDKPSFC-JTQLQIEISA-N 0 1 290.323 2.368 20 5 CEBDMN C[N@@H+](Cc1cc([O-])ccc1[N+](=O)[O-])[C@@H](CO)C(C)(C)C ZINC000093821730 344230553 /nfs/dbraw/zinc/23/05/53/344230553.db2.gz VUEQFDYLQFEQRR-ZDUSSCGKSA-N 0 1 282.340 2.139 20 5 CEBDMN CC1(C)C[N@H+](Cc2cc([O-])ccc2[N+](=O)[O-])[C@@H]2COC[C@@H]21 ZINC000449780884 282364942 /nfs/dbraw/zinc/36/49/42/282364942.db2.gz GUTOJVITGRTRPO-GXTWGEPZSA-N 0 1 292.335 2.157 20 5 CEBDMN CC1(C)C[N@@H+](Cc2cc([O-])ccc2[N+](=O)[O-])[C@@H]2COC[C@@H]21 ZINC000449780884 282364946 /nfs/dbraw/zinc/36/49/46/282364946.db2.gz GUTOJVITGRTRPO-GXTWGEPZSA-N 0 1 292.335 2.157 20 5 CEBDMN CC(C)[N@H+]1CC[C@@H](N(C)Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000449785624 282367086 /nfs/dbraw/zinc/36/70/86/282367086.db2.gz HUXNKWGASFEMFL-CYBMUJFWSA-N 0 1 293.367 2.215 20 5 CEBDMN O=C([O-])C[C@@H]1CCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000054298636 362524357 /nfs/dbraw/zinc/52/43/57/362524357.db2.gz GODHUEYMPKHBBM-ZDUSSCGKSA-N 0 1 292.335 2.324 20 5 CEBDMN O=[N+]([O-])c1cnc2c(c1)C[N@H+](CCC[C@@H]1CCOC1)CC2 ZINC000592097771 345321315 /nfs/dbraw/zinc/32/13/15/345321315.db2.gz KREVEDXPQGBYPK-GFCCVEGCSA-N 0 1 291.351 2.165 20 5 CEBDMN C[C@@H]1CC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C[C@@H]1C(=O)[O-] ZINC000592397736 345350035 /nfs/dbraw/zinc/35/00/35/345350035.db2.gz RYMDBEJHBYMMDG-ZJUUUORDSA-N 0 1 296.298 2.277 20 5 CEBDMN CCc1nc([C@@H](C)N(C)Cc2ccccc2[N+](=O)[O-])n[nH]1 ZINC000595291053 345755014 /nfs/dbraw/zinc/75/50/14/345755014.db2.gz WSINKQOOGBTDSG-SNVBAGLBSA-N 0 1 289.339 2.468 20 5 CEBDMN O=[N+]([O-])c1ccc(CNCc2cnn3c2CCC3)cc1 ZINC000594927170 345705199 /nfs/dbraw/zinc/70/51/99/345705199.db2.gz YUEUCEAPSZEXPN-UHFFFAOYSA-N 0 1 272.308 2.027 20 5 CEBDMN C[C@@H]1C[C@H](CO)CN(Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595553542 345811313 /nfs/dbraw/zinc/81/13/13/345811313.db2.gz XQNHXLHGDHYVSB-MNOVXSKESA-N 0 1 282.315 2.184 20 5 CEBDMN CN(CC[N@@H+](C)C1CC1)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595443488 345783957 /nfs/dbraw/zinc/78/39/57/345783957.db2.gz ATJZIINVYMXYEO-UHFFFAOYSA-N 0 1 281.331 2.260 20 5 CEBDMN C[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2F)C[C@]1(C)CO ZINC000595871961 345902726 /nfs/dbraw/zinc/90/27/26/345902726.db2.gz JEWNRYJPBLGZLI-IINYFYTJSA-N 0 1 282.315 2.184 20 5 CEBDMN COc1cc(N[C@@H]2CCN(C3CC3)C2)c([N+](=O)[O-])cc1F ZINC000596090920 345938108 /nfs/dbraw/zinc/93/81/08/345938108.db2.gz SCEWYWUYGPONAG-SECBINFHSA-N 0 1 295.314 2.391 20 5 CEBDMN Cc1cc(NC[C@H](C)N2CCN(C)CC2)c([N+](=O)[O-])s1 ZINC000596104745 345940587 /nfs/dbraw/zinc/94/05/87/345940587.db2.gz MUFRHLDXMXCIRP-JTQLQIEISA-N 0 1 298.412 2.013 20 5 CEBDMN COC[C@@H](CSCc1cc(O)ccc1[N+](=O)[O-])OC ZINC000596393117 346013518 /nfs/dbraw/zinc/01/35/18/346013518.db2.gz HRTFIIQQCWZFRD-NSHDSACASA-N 0 1 287.337 2.195 20 5 CEBDMN CC(C)[N@@H+](Cc1cc([O-])ccc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000339207243 215014107 /nfs/dbraw/zinc/01/41/07/215014107.db2.gz JTVQKJFQKKVOHO-LBPRGKRZSA-N 0 1 280.324 2.300 20 5 CEBDMN C[C@@H]1CCN(Cc2cn(C)nc2[N+](=O)[O-])CC12CCC2 ZINC000602596208 347093422 /nfs/dbraw/zinc/09/34/22/347093422.db2.gz NOAJUVIJWBJIPK-LLVKDONJSA-N 0 1 278.356 2.340 20 5 CEBDMN O=C(c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1)N1C[C@@H]2C[C@@H]2C1 ZINC000600218556 346625893 /nfs/dbraw/zinc/62/58/93/346625893.db2.gz IHIBYIDUWBHESE-PHIMTYICSA-N 0 1 298.302 2.077 20 5 CEBDMN CN1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000601228583 346796230 /nfs/dbraw/zinc/79/62/30/346796230.db2.gz PHAXIZPPEDERNX-UHFFFAOYSA-N 0 1 292.339 2.153 20 5 CEBDMN CCN(C#N)CCN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000602801277 347204824 /nfs/dbraw/zinc/20/48/24/347204824.db2.gz MSTZVOYKMDJHKC-NSHDSACASA-N 0 1 262.313 2.048 20 5 CEBDMN CN(Cc1ccns1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000602881973 347237174 /nfs/dbraw/zinc/23/71/74/347237174.db2.gz ILSLJVQEHDNSPZ-UHFFFAOYSA-N 0 1 279.321 2.389 20 5 CEBDMN CN(C)[C@H](CNc1cccnc1[N+](=O)[O-])c1ccco1 ZINC000603837390 347390761 /nfs/dbraw/zinc/39/07/61/347390761.db2.gz NDTSHJHLMMGTJQ-LLVKDONJSA-N 0 1 276.296 2.298 20 5 CEBDMN CCCCCNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000128539593 187376096 /nfs/dbraw/zinc/37/60/96/187376096.db2.gz ZSPJOFYFNCWCLZ-UHFFFAOYSA-N 0 1 290.316 2.202 20 5 CEBDMN CCN1CCN(Cc2c(F)cccc2[N+](=O)[O-])C[C@H]1C ZINC000611092521 347738813 /nfs/dbraw/zinc/73/88/13/347738813.db2.gz XIASSDZOVYHJDF-LLVKDONJSA-N 0 1 281.331 2.260 20 5 CEBDMN CC(C)(C)C[N@@H+](CCO)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000611269560 347760946 /nfs/dbraw/zinc/76/09/46/347760946.db2.gz PMZQROOGOJZTCE-UHFFFAOYSA-N 0 1 282.340 2.141 20 5 CEBDMN CCCc1[nH]nc(C(=O)N2CC[C@@H](C)[C@@H](F)C2)c1[N+](=O)[O-] ZINC000611505252 347786697 /nfs/dbraw/zinc/78/66/97/347786697.db2.gz AMAJGKXSBCDSGF-BDAKNGLRSA-N 0 1 298.318 2.091 20 5 CEBDMN CC(C)C[N@@H+](CC(=O)[O-])Cc1csc([N+](=O)[O-])c1 ZINC000086777829 179329210 /nfs/dbraw/zinc/32/92/10/179329210.db2.gz SJERMOGRNQBMAU-UHFFFAOYSA-N 0 1 272.326 2.199 20 5 CEBDMN CC[C@@H](N[C@H]1CCCN(C)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000351917082 219246481 /nfs/dbraw/zinc/24/64/81/219246481.db2.gz LGQBAPIVSGJJAV-KGLIPLIRSA-N 0 1 291.351 2.256 20 5 CEBDMN COC[C@]1(C)CCN(Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000295152035 199374248 /nfs/dbraw/zinc/37/42/48/199374248.db2.gz RFSFUCPWLSRYAO-OAHLLOKOSA-N 0 1 294.351 2.462 20 5 CEBDMN CC[C@]1(NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCOC1 ZINC000618308943 348923702 /nfs/dbraw/zinc/92/37/02/348923702.db2.gz YQAFJIJDEHXPTR-AWEZNQCLSA-N 0 1 290.323 2.130 20 5 CEBDMN COC[C@@H]1C[C@H](O)CN1[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000411907032 233297248 /nfs/dbraw/zinc/29/72/48/233297248.db2.gz FAGBJQICIBSGJF-XBFCOCLRSA-N 0 1 294.351 2.046 20 5 CEBDMN C[C@@H]1[C@@H](CO)CCCN1Cc1ccc([N+](=O)[O-])cc1F ZINC000412101320 233339100 /nfs/dbraw/zinc/33/91/00/233339100.db2.gz YQNUUWZCTSSGJB-ZYHUDNBSSA-N 0 1 282.315 2.327 20 5 CEBDMN COc1cc([N+](=O)[O-])ccc1CN(C)C1CC(OC)C1 ZINC000352212756 219365826 /nfs/dbraw/zinc/36/58/26/219365826.db2.gz RRMCNWXOSQLOFA-UHFFFAOYSA-N 0 1 280.324 2.213 20 5 CEBDMN COc1cc(CN(C)[C@@H]2CCCOC2)ccc1[N+](=O)[O-] ZINC000352223305 219369734 /nfs/dbraw/zinc/36/97/34/219369734.db2.gz VAZXBIZCONKAKB-GFCCVEGCSA-N 0 1 280.324 2.214 20 5 CEBDMN CCc1nc(NC(=O)c2ccc(CC)c([N+](=O)[O-])c2)n[nH]1 ZINC000123290971 187082958 /nfs/dbraw/zinc/08/29/58/187082958.db2.gz DJEUGCCBPKULGV-UHFFFAOYSA-N 0 1 289.295 2.090 20 5 CEBDMN CCc1n[nH]c(NC(=O)c2ccc(CC)c([N+](=O)[O-])c2)n1 ZINC000123290971 187082959 /nfs/dbraw/zinc/08/29/59/187082959.db2.gz DJEUGCCBPKULGV-UHFFFAOYSA-N 0 1 289.295 2.090 20 5 CEBDMN Cc1cc(CC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000123371609 187087965 /nfs/dbraw/zinc/08/79/65/187087965.db2.gz WQKLWFMCRKJBHP-JTQLQIEISA-N 0 1 288.307 2.046 20 5 CEBDMN O=[N+]([O-])c1cccc(F)c1CN[C@H]1CCO[C@H]1C1CC1 ZINC000494459060 290974589 /nfs/dbraw/zinc/97/45/89/290974589.db2.gz TVYSZQIPLMHUJJ-JSGCOSHPSA-N 0 1 280.299 2.391 20 5 CEBDMN CC(C)(NCc1cnc[nH]1)c1ccccc1[N+](=O)[O-] ZINC000292268810 198224861 /nfs/dbraw/zinc/22/48/61/198224861.db2.gz ZIXVKUJQCYRYPS-UHFFFAOYSA-N 0 1 260.297 2.343 20 5 CEBDMN CCS[C@H]1CCCC[C@@H]1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000133912947 366267323 /nfs/dbraw/zinc/26/73/23/366267323.db2.gz XASKUYBTGIZIQY-WPRPVWTQSA-N 0 1 298.368 2.112 20 5 CEBDMN O=[N+]([O-])c1cccc(F)c1CN1CC[C@H](CCCO)C1 ZINC000452123112 283195437 /nfs/dbraw/zinc/19/54/37/283195437.db2.gz IBDCXLLMCFKGAX-NSHDSACASA-N 0 1 282.315 2.328 20 5 CEBDMN C[C@H](NCC(=O)N1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000134822794 366363107 /nfs/dbraw/zinc/36/31/07/366363107.db2.gz BOGRCNXEYWRRHT-LBPRGKRZSA-N 0 1 291.351 2.258 20 5 CEBDMN CCC[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])C(C)(C)C ZINC000452662635 283348527 /nfs/dbraw/zinc/34/85/27/283348527.db2.gz NWVPXDGTMFSWRY-SECBINFHSA-N 0 1 268.317 2.263 20 5 CEBDMN CN(CCC1CC1)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000135280138 366421301 /nfs/dbraw/zinc/42/13/01/366421301.db2.gz OMHDJGAHKQEFMV-UHFFFAOYSA-N 0 1 291.351 2.290 20 5 CEBDMN CCc1nc(CNc2ccc(C(C)=O)cc2[N+](=O)[O-])n[nH]1 ZINC000294918592 199248809 /nfs/dbraw/zinc/24/88/09/199248809.db2.gz JRAUMZFNLCUQBO-UHFFFAOYSA-N 0 1 289.295 2.090 20 5 CEBDMN O=[N+]([O-])c1cc(CN[C@H]2CCN(CC(F)F)C2)cs1 ZINC000418135395 237315837 /nfs/dbraw/zinc/31/58/37/237315837.db2.gz PBFHGQQZULKOCV-VIFPVBQESA-N 0 1 291.323 2.085 20 5 CEBDMN CC(C)[N@H+]1CCCN(Cc2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC000338963136 366592783 /nfs/dbraw/zinc/59/27/83/366592783.db2.gz ZCOMZGDOMOOWOE-UHFFFAOYSA-N 0 1 293.367 2.217 20 5 CEBDMN CCCC[N@@H+](CCCO)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000339074540 366641645 /nfs/dbraw/zinc/64/16/45/366641645.db2.gz BRBBIMQDHXSTNG-UHFFFAOYSA-N 0 1 282.340 2.285 20 5 CEBDMN C[C@@H]1[C@@H](C)CCN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000177054977 189024610 /nfs/dbraw/zinc/02/46/10/189024610.db2.gz IJBFPKPZWDTCOY-DTWKUNHWSA-N 0 1 288.307 2.342 20 5 CEBDMN C[C@@H](NCC1(C)OCCO1)c1cccc([N+](=O)[O-])c1 ZINC000179568562 189202754 /nfs/dbraw/zinc/20/27/54/189202754.db2.gz OYMGBLXVNZXQON-SNVBAGLBSA-N 0 1 266.297 2.008 20 5 CEBDMN Cc1c([C@H](C)NCC2(C)OCCO2)cccc1[N+](=O)[O-] ZINC000179568190 189202919 /nfs/dbraw/zinc/20/29/19/189202919.db2.gz AWPZONRQCRGOCT-NSHDSACASA-N 0 1 280.324 2.317 20 5 CEBDMN CCOCCN(C)Cc1ccc([N+](=O)[O-])cc1C ZINC000183681010 189365577 /nfs/dbraw/zinc/36/55/77/189365577.db2.gz XFMDZMIFQOEHSO-UHFFFAOYSA-N 0 1 252.314 2.372 20 5 CEBDMN O=[N+]([O-])c1ccc2c(c1)CN(CC[C@H]1CCOC1)CCO2 ZINC000356535291 370745466 /nfs/dbraw/zinc/74/54/66/370745466.db2.gz XYJXNUPPMHCNPB-LBPRGKRZSA-N 0 1 292.335 2.216 20 5 CEBDMN C[C@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)c1cccnc1 ZINC000356552811 370752113 /nfs/dbraw/zinc/75/21/13/370752113.db2.gz SQUSIXPAMMUMQD-VIFPVBQESA-N 0 1 287.275 2.186 20 5 CEBDMN O=C(Nc1cccc([N+](=O)[O-])c1)[C@H]1Cc2ccccc2CN1 ZINC000237907446 370759037 /nfs/dbraw/zinc/75/90/37/370759037.db2.gz YHVHJDSEAVCTKR-OAHLLOKOSA-N 0 1 297.314 2.248 20 5 CEBDMN O=[N+]([O-])c1cc(Cl)ccc1NCCN1CCCOCC1 ZINC000275453149 193044219 /nfs/dbraw/zinc/04/42/19/193044219.db2.gz LUPVQWSAXKZACG-UHFFFAOYSA-N 0 1 299.758 2.382 20 5 CEBDMN Cc1ccc([C@@H](C)CNC(=O)c2n[nH]cc2[N+](=O)[O-])cc1 ZINC000162621009 367175889 /nfs/dbraw/zinc/17/58/89/367175889.db2.gz RFAZUVGNUVAKQR-JTQLQIEISA-N 0 1 288.307 2.160 20 5 CEBDMN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]1C ZINC000245457785 370822355 /nfs/dbraw/zinc/82/23/55/370822355.db2.gz UMVSTAGFFTWGDQ-WDEREUQCSA-N 0 1 277.324 2.406 20 5 CEBDMN C[C@@H]1CCCN1[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000245467454 370825522 /nfs/dbraw/zinc/82/55/22/370825522.db2.gz ZMFRHSADRNERLS-RISCZKNCSA-N 0 1 289.335 2.184 20 5 CEBDMN CO[C@H]1CCCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000170818410 367423087 /nfs/dbraw/zinc/42/30/87/367423087.db2.gz ZBCBCSQHASNRFO-ZDUSSCGKSA-N 0 1 250.298 2.206 20 5 CEBDMN CCc1[nH]nc(C(=O)N2CCCC[C@@H]2CC)c1[N+](=O)[O-] ZINC000171366606 367528408 /nfs/dbraw/zinc/52/84/08/367528408.db2.gz DACSWYQOZJYEBF-VIFPVBQESA-N 0 1 280.328 2.285 20 5 CEBDMN Cc1nc(CCNc2ccc3ncccc3c2[N+](=O)[O-])n[nH]1 ZINC000343473598 367835526 /nfs/dbraw/zinc/83/55/26/367835526.db2.gz QBUUVXCMOYGZQW-UHFFFAOYSA-N 0 1 298.306 2.224 20 5 CEBDMN Cc1nnc(CCNc2ccc3ncccc3c2[N+](=O)[O-])[nH]1 ZINC000343473598 367835533 /nfs/dbraw/zinc/83/55/33/367835533.db2.gz QBUUVXCMOYGZQW-UHFFFAOYSA-N 0 1 298.306 2.224 20 5 CEBDMN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC[C@H]1C ZINC000173986598 367968316 /nfs/dbraw/zinc/96/83/16/367968316.db2.gz UMVSTAGFFTWGDQ-MNOVXSKESA-N 0 1 277.324 2.406 20 5 CEBDMN COC(=O)N1CC(N[C@H](C)c2cccc([N+](=O)[O-])c2C)C1 ZINC000181464594 368458698 /nfs/dbraw/zinc/45/86/98/368458698.db2.gz TYSGLYMIEQBGHH-SNVBAGLBSA-N 0 1 293.323 2.004 20 5 CEBDMN CC[C@H](C)NC(=O)CN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000181826389 368497536 /nfs/dbraw/zinc/49/75/36/368497536.db2.gz QYMCQIDJWBJYCS-NWDGAFQWSA-N 0 1 293.367 2.469 20 5 CEBDMN CNC(=O)[C@H](C)CN(C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182211677 368535575 /nfs/dbraw/zinc/53/55/75/368535575.db2.gz CGSCPJOMXFHIBL-SECBINFHSA-N 0 1 299.758 2.062 20 5 CEBDMN CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1nncs1 ZINC000348021609 368861770 /nfs/dbraw/zinc/86/17/70/368861770.db2.gz VWWFQYCUUYWMGG-UHFFFAOYSA-N 0 1 294.292 2.097 20 5 CEBDMN C[C@@H]1CCN(C/C=C\c2ccccc2[N+](=O)[O-])C[C@H]1O ZINC000349403044 369319296 /nfs/dbraw/zinc/31/92/96/369319296.db2.gz BFPZYMVFZAWDAS-HQWBGCBWSA-N 0 1 276.336 2.311 20 5 CEBDMN COCCO[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000188829611 369415605 /nfs/dbraw/zinc/41/56/05/369415605.db2.gz MUSVXZQXUOPJFS-OAHLLOKOSA-N 0 1 294.351 2.141 20 5 CEBDMN COCCO[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000188829611 369415610 /nfs/dbraw/zinc/41/56/10/369415610.db2.gz MUSVXZQXUOPJFS-OAHLLOKOSA-N 0 1 294.351 2.141 20 5 CEBDMN CO[C@H]1CN(Cc2cccc([N+](=O)[O-])c2)CC[C@@H]1C ZINC000189282061 369488361 /nfs/dbraw/zinc/48/83/61/369488361.db2.gz QKNYNJKEYGQIBR-FZMZJTMJSA-N 0 1 264.325 2.452 20 5 CEBDMN CCOCCOCCN(C)Cc1ccc([N+](=O)[O-])cc1 ZINC000190260788 369608611 /nfs/dbraw/zinc/60/86/11/369608611.db2.gz BAOCBWKVHYEJGQ-UHFFFAOYSA-N 0 1 282.340 2.080 20 5 CEBDMN C[N@H+]1CC[C@H](CNc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000227889838 370388072 /nfs/dbraw/zinc/38/80/72/370388072.db2.gz JHJQHAIWZZOSDP-MRVPVSSYSA-N 0 1 271.267 2.237 20 5 CEBDMN Cc1cnc(NCCN2CC=C(C)CC2)c([N+](=O)[O-])c1 ZINC000358331517 371017349 /nfs/dbraw/zinc/01/73/49/371017349.db2.gz GMNMXSAXVFVTET-UHFFFAOYSA-N 0 1 276.340 2.362 20 5 CEBDMN NC1(c2noc(Cc3cccc([N+](=O)[O-])c3)n2)CCCC1 ZINC000261894318 371765624 /nfs/dbraw/zinc/76/56/24/371765624.db2.gz XTSBVNCWKPRAGR-UHFFFAOYSA-N 0 1 288.307 2.297 20 5 CEBDMN COc1cc(CN2CC[C@H](CO)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000344136786 217067614 /nfs/dbraw/zinc/06/76/14/217067614.db2.gz VAQCFQYJYBHPJH-AAEUAGOBSA-N 0 1 294.351 2.196 20 5 CEBDMN Cc1[nH]nc(C(=O)N2CCC[C@@H]3CCC[C@H]32)c1[N+](=O)[O-] ZINC000266260842 372041001 /nfs/dbraw/zinc/04/10/01/372041001.db2.gz VAAKVHJLFSNFGE-VHSXEESVSA-N 0 1 278.312 2.031 20 5 CEBDMN CCOc1ccc([N+](=O)[O-])cc1CN1C[C@H](C)[C@H](CO)C1 ZINC000361663794 372013440 /nfs/dbraw/zinc/01/34/40/372013440.db2.gz WWOQMWKZRDHUNR-AAEUAGOBSA-N 0 1 294.351 2.054 20 5 CEBDMN CCNC(=O)[C@@H](C)N[C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000268701943 372185485 /nfs/dbraw/zinc/18/54/85/372185485.db2.gz BUGSPRSTWAFZPI-WDEREUQCSA-N 0 1 279.340 2.078 20 5 CEBDMN O=C(N[C@@H]1CCCc2cn[nH]c21)c1ccc([N+](=O)[O-])s1 ZINC000269034709 372319631 /nfs/dbraw/zinc/31/96/31/372319631.db2.gz XKIVKJWLBZAZEC-MRVPVSSYSA-N 0 1 292.320 2.187 20 5 CEBDMN O=[N+]([O-])c1ccc(CN2CC([C@@H]3CCOC3)C2)cc1 ZINC000366252114 373015661 /nfs/dbraw/zinc/01/56/61/373015661.db2.gz REXHEWUAQHUCGY-GFCCVEGCSA-N 0 1 262.309 2.063 20 5 CEBDMN Cc1ccc([C@@H]2CCCCN2C(=O)[C@@H]2CC2[N+](=O)[O-])o1 ZINC000371766438 373973693 /nfs/dbraw/zinc/97/36/93/373973693.db2.gz QGUGVPFKPQTPOH-GRYCIOLGSA-N 0 1 278.308 2.307 20 5 CEBDMN CO[C@@H]1CN([C@H](C)c2cc([N+](=O)[O-])ccc2C)C[C@@H]1OC ZINC000276812722 374309754 /nfs/dbraw/zinc/30/97/54/374309754.db2.gz DWYCCENDWFDHQB-DFBGVHRSSA-N 0 1 294.351 2.310 20 5 CEBDMN C[C@]1(Cc2ccccc2)CCCN1C(=O)[C@H]1CC1[N+](=O)[O-] ZINC000373344761 374332605 /nfs/dbraw/zinc/33/26/05/374332605.db2.gz CBGHIUPCLHXHLD-SQWLQELKSA-N 0 1 288.347 2.275 20 5 CEBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCSC[C@H]1c1cccs1 ZINC000374122763 374492937 /nfs/dbraw/zinc/49/29/37/374492937.db2.gz QXYPAJLMLBVKMM-BBBLOLIVSA-N 0 1 298.389 2.030 20 5 CEBDMN C[C@@H]1[C@H](C)N(C)CCN1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000408084669 375404402 /nfs/dbraw/zinc/40/44/02/375404402.db2.gz SDYPZZCJACRNAD-WDEREUQCSA-N 0 1 292.339 2.151 20 5 CEBDMN COC[C@@H](NCc1ccc([N+](=O)[O-])c(F)c1)[C@@H]1CCCO1 ZINC000282609065 375528982 /nfs/dbraw/zinc/52/89/82/375528982.db2.gz YQODGMBOQIEKIA-OCCSQVGLSA-N 0 1 298.314 2.018 20 5 CEBDMN NC1(c2noc(-c3c[nH]c4ccc([N+](=O)[O-])cc34)n2)CCC1 ZINC000414630711 375888320 /nfs/dbraw/zinc/88/83/20/375888320.db2.gz VCPZDJYDBGTXMT-UHFFFAOYSA-N 0 1 299.290 2.464 20 5 CEBDMN Cc1nn(C)cc1CN(C)CCc1ccccc1[N+](=O)[O-] ZINC000289670103 376439899 /nfs/dbraw/zinc/43/98/99/376439899.db2.gz YZEHYFJNKZXFMA-UHFFFAOYSA-N 0 1 288.351 2.311 20 5 CEBDMN CN(CCc1ccccc1[N+](=O)[O-])Cc1ccno1 ZINC000556823839 376498338 /nfs/dbraw/zinc/49/83/38/376498338.db2.gz USLSJMRZIAXQCK-UHFFFAOYSA-N 0 1 261.281 2.257 20 5 CEBDMN COc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H](C)[C@@H]1CO ZINC000330439393 377132120 /nfs/dbraw/zinc/13/21/20/377132120.db2.gz ZWZWNKPNELWPOF-RISCZKNCSA-N 0 1 294.351 2.196 20 5 CEBDMN CCC[C@@H](C(=O)[O-])[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000564803164 377459667 /nfs/dbraw/zinc/45/96/67/377459667.db2.gz PEQOQVBOHQJCRE-ZDUSSCGKSA-N 0 1 280.324 2.322 20 5 CEBDMN Cc1noc([C@H]2CCN(Cc3cccc([N+](=O)[O-])c3)C2)n1 ZINC000332078318 377512415 /nfs/dbraw/zinc/51/24/15/377512415.db2.gz HLECMWIHBFULIO-LBPRGKRZSA-N 0 1 288.307 2.276 20 5 CEBDMN C[C@@H]1CN(CCOc2ccccc2[N+](=O)[O-])[C@H]1C ZINC000293336469 377526172 /nfs/dbraw/zinc/52/61/72/377526172.db2.gz GVZZFFMGAFZLKI-MNOVXSKESA-N 0 1 250.298 2.314 20 5 CEBDMN CCn1cc(CNCc2ccc(C)c([N+](=O)[O-])c2)cn1 ZINC000265592437 190192284 /nfs/dbraw/zinc/19/22/84/190192284.db2.gz ZTSYOXKCWUNRDJ-UHFFFAOYSA-N 0 1 274.324 2.409 20 5 CEBDMN CCc1[nH]nc(C(=O)N2C[C@@H](C)C[C@H]2CC)c1[N+](=O)[O-] ZINC000332732974 377687049 /nfs/dbraw/zinc/68/70/49/377687049.db2.gz WNCZCUBICXHLFV-DTWKUNHWSA-N 0 1 280.328 2.141 20 5 CEBDMN C[C@@H](N(C)Cc1ccc([N+](=O)[O-])cc1F)C(C)(C)O ZINC000295233758 378063498 /nfs/dbraw/zinc/06/34/98/378063498.db2.gz XGBPLHUFIOMUTC-SECBINFHSA-N 0 1 270.304 2.325 20 5 CEBDMN O=[N+]([O-])c1ccc([O-])cc1C[N@H+]1CCC[C@]2(CCOC2)C1 ZINC000449689094 378219935 /nfs/dbraw/zinc/21/99/35/378219935.db2.gz XTYPPUQGYOKFJA-HNNXBMFYSA-N 0 1 292.335 2.303 20 5 CEBDMN CCN(CCOC)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000299148090 378917671 /nfs/dbraw/zinc/91/76/71/378917671.db2.gz WYEIXQAZPQPYBN-UHFFFAOYSA-N 0 1 268.313 2.072 20 5 CEBDMN Cc1ccc(C[N@@H+]2CC[C@@H](C)[C@H](C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000514602649 379130433 /nfs/dbraw/zinc/13/04/33/379130433.db2.gz IILPIPLZIGDPJR-ZWNOBZJWSA-N 0 1 292.335 2.446 20 5 CEBDMN C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC[C@@H](OCCO)C1 ZINC000266538220 190265279 /nfs/dbraw/zinc/26/52/79/190265279.db2.gz PAIYHIYTJGIKQD-QWHCGFSZSA-N 0 1 294.351 2.129 20 5 CEBDMN Cc1[nH]nc(C(=O)N2C[C@@H](C(C)C)[C@@H]2C(C)C)c1[N+](=O)[O-] ZINC000456291844 379375918 /nfs/dbraw/zinc/37/59/18/379375918.db2.gz AFJWELJRAUFZDV-JQWIXIFHSA-N 0 1 294.355 2.379 20 5 CEBDMN COc1ccc([N+](=O)[O-])cc1CN(C[C@H](C)O)C(C)C ZINC000304004220 379509016 /nfs/dbraw/zinc/50/90/16/379509016.db2.gz SGEINMNHYBQVGV-NSHDSACASA-N 0 1 282.340 2.195 20 5 CEBDMN COc1ccc([N+](=O)[O-])cc1CN(C[C@@H](C)O)C(C)C ZINC000304004218 379509327 /nfs/dbraw/zinc/50/93/27/379509327.db2.gz SGEINMNHYBQVGV-LLVKDONJSA-N 0 1 282.340 2.195 20 5 CEBDMN CN(Cc1ccc([N+](=O)[O-])cc1F)C[C@H]1CCC[C@@H]1O ZINC000305294333 379702768 /nfs/dbraw/zinc/70/27/68/379702768.db2.gz GBLFCDKHRGRLGU-RISCZKNCSA-N 0 1 282.315 2.327 20 5 CEBDMN COCCN(Cc1ccc([N+](=O)[O-])cc1)[C@H]1CCO[C@H]1C ZINC000489393997 380184130 /nfs/dbraw/zinc/18/41/30/380184130.db2.gz CXZYDIDSBYVHRV-WFASDCNBSA-N 0 1 294.351 2.221 20 5 CEBDMN O=[N+]([O-])c1cc(CNC[C@@H]2COC3(CCCC3)O2)cs1 ZINC000271447244 285086596 /nfs/dbraw/zinc/08/65/96/285086596.db2.gz RFVZWKJTFLAYAS-LLVKDONJSA-N 0 1 298.364 2.432 20 5 CEBDMN COc1ccc(CN2CCC[C@H](CO)[C@H]2C)cc1[N+](=O)[O-] ZINC000412100331 533558905 /nfs/dbraw/zinc/55/89/05/533558905.db2.gz XMYUBJCMBGRIGL-DGCLKSJQSA-N 0 1 294.351 2.196 20 5 CEBDMN C[C@H](CN1CCCCC1)Nc1ncc([N+](=O)[O-])s1 ZINC000189684555 130007508 /nfs/dbraw/zinc/00/75/08/130007508.db2.gz PXRKUJBTBFJHCA-SECBINFHSA-N 0 1 270.358 2.338 20 5 CEBDMN C[N@H+]1CCC[C@H](CNc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC000211452038 394448349 /nfs/dbraw/zinc/44/83/49/394448349.db2.gz LGBQSLPIEBAXHB-SNVBAGLBSA-N 0 1 293.323 2.047 20 5 CEBDMN C[C@H]1[C@H](Nc2ncc([N+](=O)[O-])cc2F)CCCN1C ZINC000413233315 394509280 /nfs/dbraw/zinc/50/92/80/394509280.db2.gz DATIEVPLXRBGEW-GZMMTYOYSA-N 0 1 268.292 2.024 20 5 CEBDMN C[C@H](O)CCN(C)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000266561555 394667274 /nfs/dbraw/zinc/66/72/74/394667274.db2.gz XTOVIYQZVVQSEC-QWRGUYRKSA-N 0 1 252.314 2.359 20 5 CEBDMN CC[C@H](C)CNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000421918322 394638862 /nfs/dbraw/zinc/63/88/62/394638862.db2.gz PFPWJMFLKCMYOV-QMMMGPOBSA-N 0 1 252.270 2.076 20 5 CEBDMN Cc1cnc([C@@H]2CCCCN2C(=O)[C@H]2CC2[N+](=O)[O-])s1 ZINC000360829172 394808537 /nfs/dbraw/zinc/80/85/37/394808537.db2.gz MLCGJKYOTXACGX-GARJFASQSA-N 0 1 295.364 2.170 20 5 CEBDMN CC(C)N1CCN(Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000285901508 394982012 /nfs/dbraw/zinc/98/20/12/394982012.db2.gz GXDFGCMMLDWQFB-UHFFFAOYSA-N 0 1 299.321 2.399 20 5 CEBDMN C[C@H]1[C@@H](C)N(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C[C@H]1C ZINC000416316683 395054371 /nfs/dbraw/zinc/05/43/71/395054371.db2.gz HOFBOJHYFYHQBY-OPRDCNLKSA-N 0 1 278.308 2.417 20 5 CEBDMN C[C@H]1CCN(C)CCN1c1ncc([N+](=O)[O-])cc1Cl ZINC000346399871 395098585 /nfs/dbraw/zinc/09/85/85/395098585.db2.gz GJYKNMFZTRYKDG-VIFPVBQESA-N 0 1 284.747 2.174 20 5 CEBDMN Cc1nc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)n[nH]1 ZINC000348041857 395134256 /nfs/dbraw/zinc/13/42/56/395134256.db2.gz ISGWBJPAUYJQJE-UHFFFAOYSA-N 0 1 287.235 2.020 20 5 CEBDMN C[C@@H]1CN(CCn2ccc([N+](=O)[O-])n2)[C@@H]1c1ccccc1 ZINC000177826470 395156913 /nfs/dbraw/zinc/15/69/13/395156913.db2.gz LBFRXXLXZXVGDH-DOMZBBRYSA-N 0 1 286.335 2.484 20 5 CEBDMN CC[C@H](N[C@H]1CCCN(C)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000351917081 395239738 /nfs/dbraw/zinc/23/97/38/395239738.db2.gz LGQBAPIVSGJJAV-KBPBESRZSA-N 0 1 291.351 2.256 20 5 CEBDMN O=[N+]([O-])c1ccccc1CN(Cc1cnc[nH]1)C1CC1 ZINC000179318540 395190945 /nfs/dbraw/zinc/19/09/45/395190945.db2.gz PQEVEEPZNCZOLG-UHFFFAOYSA-N 0 1 272.308 2.483 20 5 CEBDMN CCC[C@H](NC1CN(C(C)=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000519698475 395209776 /nfs/dbraw/zinc/20/97/76/395209776.db2.gz AEDDKKJTABZMMZ-HNNXBMFYSA-N 0 1 291.351 2.256 20 5 CEBDMN C[C@@H]1CC[C@@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000444483096 395434157 /nfs/dbraw/zinc/43/41/57/395434157.db2.gz NIUNYRXPHLGVQF-PSASIEDQSA-N 0 1 264.281 2.219 20 5 CEBDMN COc1cc(C[N@H+]2CCC[C@H]2CC(=O)[O-])ccc1[N+](=O)[O-] ZINC000568064720 395545371 /nfs/dbraw/zinc/54/53/71/395545371.db2.gz NZXXCTPCYPZUIR-NSHDSACASA-N 0 1 294.307 2.043 20 5 CEBDMN O=C([O-])C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CCC1 ZINC000574531638 395632021 /nfs/dbraw/zinc/63/20/21/395632021.db2.gz SZDGBRJYPNOAQD-UHFFFAOYSA-N 0 1 264.281 2.034 20 5 CEBDMN CC(C)(O)C(C)(C)NCc1c(F)cccc1[N+](=O)[O-] ZINC000359513850 155038385 /nfs/dbraw/zinc/03/83/85/155038385.db2.gz HTINONYZMDVUPX-UHFFFAOYSA-N 0 1 270.304 2.373 20 5 CEBDMN Cc1cccc([C@]2(F)CCN(C(=O)[C@H]3CC3[N+](=O)[O-])C2)c1 ZINC000367715454 156230255 /nfs/dbraw/zinc/23/02/55/156230255.db2.gz JZFCHOBPLHNGNR-GUTXKFCHSA-N 0 1 292.310 2.057 20 5 CEBDMN O=C(N[C@@H]1CC[C@H](c2ccc(F)cc2)C1)[C@H]1CC1[N+](=O)[O-] ZINC000375907987 157164188 /nfs/dbraw/zinc/16/41/88/157164188.db2.gz ULBDWPDELNXZNA-GHYVTOPFSA-N 0 1 292.310 2.243 20 5 CEBDMN C[C@H]1C[C@H](C)N1CCOc1ccccc1[N+](=O)[O-] ZINC000548424408 298409626 /nfs/dbraw/zinc/40/96/26/298409626.db2.gz FDVDMYVGGQABSY-QWRGUYRKSA-N 0 1 250.298 2.456 20 5 CEBDMN CC[C@H](C)N(C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000170915861 162373819 /nfs/dbraw/zinc/37/38/19/162373819.db2.gz VPMAWWHYJLTWLR-NSHDSACASA-N 0 1 291.351 2.214 20 5 CEBDMN CC[C@@H](C)[N@@H+](CC(=O)[O-])Cc1cccc([N+](=O)[O-])c1 ZINC000037598766 173551900 /nfs/dbraw/zinc/55/19/00/173551900.db2.gz FJLOYPJQRQCHQA-SNVBAGLBSA-N 0 1 266.297 2.280 20 5 CEBDMN COCCOCCNCc1cc([N+](=O)[O-])ccc1Cl ZINC000044694079 175235034 /nfs/dbraw/zinc/23/50/34/175235034.db2.gz NHGAYWDSYSBJKS-UHFFFAOYSA-N 0 1 288.731 2.001 20 5 CEBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCc2n[nH]nc2C1 ZINC000429303510 271322596 /nfs/dbraw/zinc/32/25/96/271322596.db2.gz WMDNMPDNNLJYQQ-SNVBAGLBSA-N 0 1 287.323 2.141 20 5 CEBDMN CC[C@H](C)N1CCN(c2nccc(C)c2[N+](=O)[O-])CC1 ZINC000296137961 273744251 /nfs/dbraw/zinc/74/42/51/273744251.db2.gz XAMVVGWPJGQNQO-LBPRGKRZSA-N 0 1 278.356 2.219 20 5 CEBDMN C[C@@H]1CN(C)CCN1c1ccc(Cl)cc1[N+](=O)[O-] ZINC000349215864 274333689 /nfs/dbraw/zinc/33/36/89/274333689.db2.gz JEPYERFGISALJF-SECBINFHSA-N 0 1 269.732 2.389 20 5 CEBDMN CN1CC[C@H]2CCN(c3ncc([N+](=O)[O-])cc3Cl)[C@H]2C1 ZINC000272232311 277178980 /nfs/dbraw/zinc/17/89/80/277178980.db2.gz UXCUSNBRWBDQEH-CABZTGNLSA-N 0 1 296.758 2.174 20 5 CEBDMN CC(C)c1[nH]nc(C(=O)N2CC[C@H]2C(C)C)c1[N+](=O)[O-] ZINC000331583095 278001052 /nfs/dbraw/zinc/00/10/52/278001052.db2.gz SYRQGQYTNZHBQB-VIFPVBQESA-N 0 1 280.328 2.312 20 5 CEBDMN CC(=O)c1ccc(N(C)[C@@H]2CCCN(C)C2)c([N+](=O)[O-])c1 ZINC000053245570 278246441 /nfs/dbraw/zinc/24/64/41/278246441.db2.gz OOZNKLPLAPZTTJ-CYBMUJFWSA-N 0 1 291.351 2.328 20 5 CEBDMN O=[N+]([O-])c1cc(CNCC2=CCOCC2)cs1 ZINC000397859730 280686060 /nfs/dbraw/zinc/68/60/60/280686060.db2.gz WYILZBSMVKWOHF-UHFFFAOYSA-N 0 1 254.311 2.093 20 5 CEBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCc1ccnn1C ZINC000152193565 289080305 /nfs/dbraw/zinc/08/03/05/289080305.db2.gz CRPUIJPDDJQDEK-LLVKDONJSA-N 0 1 274.324 2.488 20 5 CEBDMN C[C@H]1CC(C)(C)CC[C@@H]1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000132193267 290336449 /nfs/dbraw/zinc/33/64/49/290336449.db2.gz LMRWFFQZVYFEHJ-IUCAKERBSA-N 0 1 280.328 2.263 20 5 CEBDMN COC(C)(C)CN(C)Cc1ccccc1[N+](=O)[O-] ZINC000531830601 298122866 /nfs/dbraw/zinc/12/28/66/298122866.db2.gz XNJCBPGZPRZWJQ-UHFFFAOYSA-N 0 1 252.314 2.452 20 5 CEBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@@H]1CCCN(C)C1=O ZINC000532248269 313343421 /nfs/dbraw/zinc/34/34/21/313343421.db2.gz SNFXJDMAMBLGRZ-BXUZGUMPSA-N 0 1 291.351 2.175 20 5 CEBDMN COc1cc(CN2CCC[C@H](CO)[C@H]2C)ccc1[N+](=O)[O-] ZINC000412093957 533806026 /nfs/dbraw/zinc/80/60/26/533806026.db2.gz SAPDEDVMLOIXFX-DGCLKSJQSA-N 0 1 294.351 2.196 20 5 CEBDMN CN(C)[C@H](CNc1ncccc1[N+](=O)[O-])c1ccco1 ZINC000067949175 522089598 /nfs/dbraw/zinc/08/95/98/522089598.db2.gz NRJRGERZXGHYSA-LLVKDONJSA-N 0 1 276.296 2.298 20 5 CEBDMN Cc1ccc([C@@H]2C[C@H](C)N(C(=O)[C@H]3CC3[N+](=O)[O-])C2)cc1 ZINC000365892218 525855167 /nfs/dbraw/zinc/85/51/67/525855167.db2.gz ZBPQHFMOTCAVRP-PMOUVXMZSA-N 0 1 288.347 2.365 20 5 CEBDMN C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCCN(C(=O)[O-])CC1 ZINC000739056768 574891583 /nfs/dbraw/zinc/89/15/83/574891583.db2.gz FYKYEQJIMJQUMF-LLVKDONJSA-N 0 1 293.323 2.342 20 5 CEBDMN C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCCN(C(=O)[O-])CC1 ZINC000739056768 574891584 /nfs/dbraw/zinc/89/15/84/574891584.db2.gz FYKYEQJIMJQUMF-LLVKDONJSA-N 0 1 293.323 2.342 20 5 CEBDMN O=C(OCC1(C(F)(F)F)CC1)c1ccc([N+](=O)[O-])[nH]1 ZINC000739338510 574911878 /nfs/dbraw/zinc/91/18/78/574911878.db2.gz GVTDCBLPENRYFO-UHFFFAOYSA-N 0 1 278.186 2.422 20 5 CEBDMN CN(C[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1)C(=O)[O-] ZINC000739665625 574930093 /nfs/dbraw/zinc/93/00/93/574930093.db2.gz MIFSZWWYMCLSIO-GFCCVEGCSA-N 0 1 293.323 2.027 20 5 CEBDMN CCOCCCN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000741773329 574997275 /nfs/dbraw/zinc/99/72/75/574997275.db2.gz SZWBEXLKXLIFQS-UHFFFAOYSA-N 0 1 293.367 2.143 20 5 CEBDMN C[C@@H](C[N@@H+](C)Cc1ccc(Cl)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000827442763 604787813 /nfs/dbraw/zinc/78/78/13/604787813.db2.gz SABAHBGXZGBLMA-QMMMGPOBSA-N 0 1 286.715 2.401 20 5 CEBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CC[C@@H](NC(=O)[O-])C1 ZINC000833907455 605550861 /nfs/dbraw/zinc/55/08/61/605550861.db2.gz JPKDJASZHDAASD-GHMZBOCLSA-N 0 1 293.323 2.306 20 5 CEBDMN CCO[C@H]1CCN(Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000932971900 623430501 /nfs/dbraw/zinc/43/05/01/623430501.db2.gz AVQVQLMZDBTIAL-ZDUSSCGKSA-N 0 1 280.324 2.214 20 5 CEBDMN COc1c(O)ccc(C[N@H+]2CC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000891799274 623979127 /nfs/dbraw/zinc/97/91/27/623979127.db2.gz VDZVNSMGDVLILE-SECBINFHSA-N 0 1 266.297 2.151 20 5 CEBDMN COc1c(O)ccc(CN2CC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000891799274 623979129 /nfs/dbraw/zinc/97/91/29/623979129.db2.gz VDZVNSMGDVLILE-SECBINFHSA-N 0 1 266.297 2.151 20 5 CEBDMN COc1c(O)ccc(C[N@H+]2CCC[C@@H]2C)c1[N+](=O)[O-] ZINC000892012129 624249041 /nfs/dbraw/zinc/24/90/41/624249041.db2.gz AISAPUGTYFLUPF-VIFPVBQESA-N 0 1 266.297 2.293 20 5 CEBDMN COc1c(O)ccc(CN2CCC[C@@H]2C)c1[N+](=O)[O-] ZINC000892012129 624249044 /nfs/dbraw/zinc/24/90/44/624249044.db2.gz AISAPUGTYFLUPF-VIFPVBQESA-N 0 1 266.297 2.293 20 5 CEBDMN Cc1ccc(OCCCOC(=O)[C@@H]2CC2[N+](=O)[O-])cc1C ZINC000840672783 629344232 /nfs/dbraw/zinc/34/42/32/629344232.db2.gz OBIQQIVYACQJEC-ZIAGYGMSSA-N 0 1 293.319 2.281 20 5 CEBDMN CC/C=C/CNCc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000894705371 629602219 /nfs/dbraw/zinc/60/22/19/629602219.db2.gz ZNXGEJZFERBRJP-SNAWJCMRSA-N 0 1 266.297 2.365 20 5 CEBDMN CC1(C)CN(Cn2nccc2[N+](=O)[O-])[C@@H]2CCC[C@@H]21 ZINC000902674270 634770320 /nfs/dbraw/zinc/77/03/20/634770320.db2.gz PJFXKGGPXBSQKS-WDEREUQCSA-N 0 1 264.329 2.259 20 5 CEBDMN CS[C@H](C)[C@@H](C)OC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000797208911 630174739 /nfs/dbraw/zinc/17/47/39/630174739.db2.gz KRGXSZGSTHNRCX-RNFRBKRXSA-N 0 1 258.299 2.220 20 5 CEBDMN Cc1cc(N[C@@H]2CC[N@@H+](C)[C@H]2C)c([N+](=O)[O-])s1 ZINC000895736479 630326657 /nfs/dbraw/zinc/32/66/57/630326657.db2.gz JDEUGPLNJCCHGL-DTWKUNHWSA-N 0 1 255.343 2.469 20 5 CEBDMN Cc1cc(N[C@@H]2CCN(C)[C@H]2C)c([N+](=O)[O-])s1 ZINC000895736479 630326658 /nfs/dbraw/zinc/32/66/58/630326658.db2.gz JDEUGPLNJCCHGL-DTWKUNHWSA-N 0 1 255.343 2.469 20 5 CEBDMN Cc1nc(N2CCN(C)C[C@H]2CC(C)C)ccc1[N+](=O)[O-] ZINC000896650470 630625002 /nfs/dbraw/zinc/62/50/02/630625002.db2.gz IHAVKIJIWUNRMO-CYBMUJFWSA-N 0 1 292.383 2.465 20 5 CEBDMN CC1(C)CCN(CCNc2ncc([N+](=O)[O-])s2)C1 ZINC000897249682 631018692 /nfs/dbraw/zinc/01/86/92/631018692.db2.gz ZVURYMSRRSUDQY-UHFFFAOYSA-N 0 1 270.358 2.195 20 5 CEBDMN O=C(O[C@@H]1CCCC12CCOCC2)c1ccc([N+](=O)[O-])[nH]1 ZINC000800426849 631122215 /nfs/dbraw/zinc/12/22/15/631122215.db2.gz ZWWKLMIFOPXNTQ-LLVKDONJSA-N 0 1 294.307 2.429 20 5 CEBDMN Cc1cn[nH]c1CN1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000811463874 632387093 /nfs/dbraw/zinc/38/70/93/632387093.db2.gz JSOKITUXCLXLNB-UHFFFAOYSA-N 0 1 272.308 2.185 20 5 CEBDMN COc1cc(F)c([N+](=O)[O-])c(N2C[C@@H](C)N(C)[C@@H](C)C2)c1 ZINC000814928842 632932527 /nfs/dbraw/zinc/93/25/27/632932527.db2.gz MEVGOUSCNRNTFQ-AOOOYVTPSA-N 0 1 297.330 2.271 20 5 CEBDMN C[C@@H](CN[C@@H](C)c1cnn(C)n1)c1ccccc1[N+](=O)[O-] ZINC000903245229 635025849 /nfs/dbraw/zinc/02/58/49/635025849.db2.gz KRWQTIPBCQVPKP-QWRGUYRKSA-N 0 1 289.339 2.178 20 5 CEBDMN COc1ccccc1[C@H](CNCC[N+](=O)[O-])OC(C)C ZINC000905217077 636165256 /nfs/dbraw/zinc/16/52/56/636165256.db2.gz UXCSWLIQMILAJI-AWEZNQCLSA-N 0 1 282.340 2.028 20 5 CEBDMN CC(C)(C)Oc1cccc(CNCC[N+](=O)[O-])c1 ZINC000905410124 636261658 /nfs/dbraw/zinc/26/16/58/636261658.db2.gz YUCGZEGNCJIXGE-UHFFFAOYSA-N 0 1 252.314 2.230 20 5 CEBDMN CC(C)N(CC[S@](C)=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000827487510 636331793 /nfs/dbraw/zinc/33/17/93/636331793.db2.gz VMVAXMBDWBHLPJ-IBGZPJMESA-N 0 1 284.381 2.184 20 5 CEBDMN CCCCC[C@@H](OC(=O)c1ccc([N+](=O)[O-])[nH]1)C(=O)OC ZINC000836028428 638500751 /nfs/dbraw/zinc/50/07/51/638500751.db2.gz BTQGQPQDXYXKCT-SNVBAGLBSA-N 0 1 298.295 2.202 20 5 CEBDMN Cc1cc(C)c(C(=O)COC(=O)[C@@H]2CC2[N+](=O)[O-])c(C)c1 ZINC000840671892 639520869 /nfs/dbraw/zinc/52/08/69/639520869.db2.gz DRRSZWYXXBUSOJ-VXGBXAGGSA-N 0 1 291.303 2.003 20 5 CEBDMN C[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)CCN1 ZINC000841103225 639670430 /nfs/dbraw/zinc/67/04/30/639670430.db2.gz NPIBLLYNZHFCHF-QMMMGPOBSA-N 0 1 298.730 2.074 20 5 CEBDMN CC(C)(C)c1ccc(COC(=O)[C@@H]2CC2[N+](=O)[O-])nc1 ZINC000841201805 639704638 /nfs/dbraw/zinc/70/46/38/639704638.db2.gz RJWFFUWCTMCNAJ-VXGBXAGGSA-N 0 1 278.308 2.088 20 5 CEBDMN O=C(OC[C@H]1CC[C@@H](c2ccccc2)O1)[C@@H]1CC1[N+](=O)[O-] ZINC000842366527 640031085 /nfs/dbraw/zinc/03/10/85/640031085.db2.gz BHTZCUWKLUWENH-SYQHCUMBSA-N 0 1 291.303 2.115 20 5 CEBDMN Cc1nc(Cn2cc([N+](=O)[O-])c(C3CC3)n2)c(C)[nH]1 ZINC000917484982 640888852 /nfs/dbraw/zinc/88/88/52/640888852.db2.gz QSTFGAPXAVWYFR-UHFFFAOYSA-N 0 1 261.285 2.057 20 5 CEBDMN O=C(OCc1ccc2c(c1)OCO2)c1ccc([N+](=O)[O-])[nH]1 ZINC000918491948 640964425 /nfs/dbraw/zinc/96/44/25/640964425.db2.gz KDDITZKMEUVLQK-UHFFFAOYSA-N 0 1 290.231 2.009 20 5 CEBDMN O=C(OCCN1CCCCC1)c1cc([N+](=O)[O-])ccc1F ZINC000919251439 641026837 /nfs/dbraw/zinc/02/68/37/641026837.db2.gz ORFATMCZNCGKFT-UHFFFAOYSA-N 0 1 296.298 2.377 20 5 CEBDMN Cc1nn(C[N@@H+]2CC[C@@H](C)[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000174963750 641298981 /nfs/dbraw/zinc/29/89/81/641298981.db2.gz IPHWWFGMUGOZLT-SCZZXKLOSA-N 0 1 252.318 2.096 20 5 CEBDMN Cc1nn(CN2CC[C@@H](C)[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000174963750 641298985 /nfs/dbraw/zinc/29/89/85/641298985.db2.gz IPHWWFGMUGOZLT-SCZZXKLOSA-N 0 1 252.318 2.096 20 5 CEBDMN O=C(OCC[C@H]1CC1(F)F)c1ccc([N+](=O)[O-])[nH]1 ZINC000851380619 643002908 /nfs/dbraw/zinc/00/29/08/643002908.db2.gz ZDCRLVIGGNULQJ-LURJTMIESA-N 0 1 260.196 2.125 20 5 CEBDMN CCOc1cc(CN2CCN(C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000755064196 644466207 /nfs/dbraw/zinc/46/62/07/644466207.db2.gz JFLGVDREUJBMRR-GFCCVEGCSA-N 0 1 293.367 2.129 20 5 CEBDMN O=C(N[C@H](c1ccccc1)C1CCC1)[C@@H]1CC1[N+](=O)[O-] ZINC000839686704 644773381 /nfs/dbraw/zinc/77/33/81/644773381.db2.gz OYTFFYACSABTBO-MGPQQGTHSA-N 0 1 274.320 2.309 20 5 CEBDMN CCc1nc(C)c([C@H](C)N(C)C(=O)[C@@H]2CC2[N+](=O)[O-])s1 ZINC000839689806 644774630 /nfs/dbraw/zinc/77/46/30/644774630.db2.gz UBJRVSDSEKKTBQ-IVZWLZJFSA-N 0 1 297.380 2.199 20 5 CEBDMN CC(C)(C)C[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])C(F)(F)F ZINC000839726238 644793561 /nfs/dbraw/zinc/79/35/61/644793561.db2.gz WDYKZMOPYKGAPH-BWZBUEFSSA-N 0 1 282.262 2.135 20 5 CEBDMN COc1cc(SC)ccc1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839742438 644801919 /nfs/dbraw/zinc/80/19/19/644801919.db2.gz WYNMHXIMFXUYME-PSASIEDQSA-N 0 1 282.321 2.021 20 5 CEBDMN C[C@@H]1CN(C)[C@@H](C)CN1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000768767986 646162485 /nfs/dbraw/zinc/16/24/85/646162485.db2.gz CYNQHPSSACHCGP-WDEREUQCSA-N 0 1 281.331 2.258 20 5 CEBDMN Cc1nc(COC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)n[nH]1 ZINC000770649742 646422457 /nfs/dbraw/zinc/42/24/57/646422457.db2.gz WEZUKYZQJOUODY-UHFFFAOYSA-N 0 1 296.670 2.032 20 5 CEBDMN COC(=O)C1=CC[C@@H](NCc2csc([N+](=O)[O-])c2)C1 ZINC000862465631 646470867 /nfs/dbraw/zinc/47/08/67/646470867.db2.gz RYGDGDUXCFCZAS-SNVBAGLBSA-N 0 1 282.321 2.008 20 5 CEBDMN Cc1nn(CN(C)[C@@H](C)C(C)(C)C)cc1[N+](=O)[O-] ZINC000779859365 647366100 /nfs/dbraw/zinc/36/61/00/647366100.db2.gz HEJJLIOIWZQPJL-JTQLQIEISA-N 0 1 254.334 2.424 20 5 CEBDMN C[C@@](N)(C(=O)NCC1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000867927961 647991856 /nfs/dbraw/zinc/99/18/56/647991856.db2.gz SLLPRZBARZYCPF-HNNXBMFYSA-N 0 1 291.351 2.075 20 5 CEBDMN CCO[C@H]1C[C@@H](N(C)CC[N+](=O)[O-])C12CCCCC2 ZINC000791052948 648476272 /nfs/dbraw/zinc/47/62/72/648476272.db2.gz PWNKMPRARSISIG-OLZOCXBDSA-N 0 1 270.373 2.323 20 5 CEBDMN COC[C@@H](C)N[C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872017264 649241848 /nfs/dbraw/zinc/24/18/48/649241848.db2.gz XXSMJFQZLXFSKO-BDAKNGLRSA-N 0 1 256.277 2.419 20 5 CEBDMN Cc1ccc(C[N@H+]2C3CCC2(C(=O)[O-])CC3)cc1[N+](=O)[O-] ZINC000872162772 649302788 /nfs/dbraw/zinc/30/27/88/649302788.db2.gz OLVFZQBKYPLPBH-UHFFFAOYSA-N 0 1 290.319 2.485 20 5 CEBDMN O=[N+]([O-])c1c(F)nccc1N1CCN(C2CCCC2)CC1 ZINC000881793322 651885812 /nfs/dbraw/zinc/88/58/12/651885812.db2.gz IUFQDTADLUKZPF-UHFFFAOYSA-N 0 1 294.330 2.194 20 5 CEBDMN NC(=O)Cc1ccc(Nc2ccc(O)c([N+](=O)[O-])c2)cc1 ZINC001210397718 802679219 /nfs/dbraw/zinc/67/92/19/802679219.db2.gz FPHLUBUBJIDVEW-UHFFFAOYSA-N 0 1 287.275 2.072 20 5 CEBDMN CCC[C@@H](CC(=O)OC)Oc1cc(O)ccc1[N+](=O)[O-] ZINC001225490808 804885413 /nfs/dbraw/zinc/88/54/13/804885413.db2.gz LFVGYBHIQDYROB-JTQLQIEISA-N 0 1 283.280 2.411 20 5 CEBDMN O=[N+]([O-])c1ccccc1CNCCOC1CCC1 ZINC000690701723 807231669 /nfs/dbraw/zinc/23/16/69/807231669.db2.gz NBRPOPZPXAXPSD-UHFFFAOYSA-N 0 1 250.298 2.254 20 5 CEBDMN C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C[C@H](C)N1 ZINC000702064404 809491587 /nfs/dbraw/zinc/49/15/87/809491587.db2.gz PTIRGRUQKXLWMR-IUCAKERBSA-N 0 1 297.742 2.071 20 5 CEBDMN CC(C)(C)OC(=O)[C@@H]1CCCN1[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169034170 811346373 /nfs/dbraw/zinc/34/63/73/811346373.db2.gz FTQIBGMCNBALEU-AVGNSLFASA-N 0 1 298.383 2.238 20 5 CEBDMN COc1ccc(C[C@@H](C)N2CCC2)c([N+](=O)[O-])c1 ZINC001170329789 812389466 /nfs/dbraw/zinc/38/94/66/812389466.db2.gz UMBLBAIJAUCPAE-SNVBAGLBSA-N 0 1 250.298 2.240 20 5 CEBDMN C[C@](O)(CNCc1cc([N+](=O)[O-])ccc1Cl)C(F)F ZINC000698592791 814657892 /nfs/dbraw/zinc/65/78/92/814657892.db2.gz QFIOWIMDYXQMOB-NSHDSACASA-N 0 1 294.685 2.354 20 5 CEBDMN COc1ccc(Nc2c(C)ncn2C)cc1[N+](=O)[O-] ZINC001176364439 816402712 /nfs/dbraw/zinc/40/27/12/816402712.db2.gz VGYKZEQMTIIERG-UHFFFAOYSA-N 0 1 262.269 2.389 20 5 CEBDMN O=[N+]([O-])c1cccc(C[N@@H+](CCC2OCCO2)C2CC2)c1 ZINC000124728717 187150859 /nfs/dbraw/zinc/15/08/59/187150859.db2.gz PNCQMBHHKHHXQT-UHFFFAOYSA-N 0 1 292.335 2.322 20 5 CEBDMN CC(C)N(CCn1cc([N+](=O)[O-])cn1)Cc1ccco1 ZINC000350724005 219052835 /nfs/dbraw/zinc/05/28/35/219052835.db2.gz HEVNLLSYFRTZSS-UHFFFAOYSA-N 0 1 278.312 2.295 20 5 CEBDMN O=C([O-])CC[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000037593539 361908513 /nfs/dbraw/zinc/90/85/13/361908513.db2.gz HTXYLNNOKREWKD-UHFFFAOYSA-N 0 1 264.281 2.034 20 5 CEBDMN C[C@H](Cc1ccccc1[N+](=O)[O-])N(C)[C@H](C)C[S@@](C)=O ZINC000449239437 282154159 /nfs/dbraw/zinc/15/41/59/282154159.db2.gz JMYRUYVNIVTCPU-FKANQGBASA-N 0 1 298.408 2.225 20 5 CEBDMN COc1cc([N+](=O)[O-])ccc1-n1[nH]c2c(c1=O)[C@@H](C)CC2 ZINC000601934491 346930756 /nfs/dbraw/zinc/93/07/56/346930756.db2.gz BMOVZDLGRQSZNY-SDBXPKJASA-N 0 1 289.291 2.352 20 5 CEBDMN O=[N+]([O-])c1ccc(CNC2(CF)CCOCC2)cc1 ZINC000449447152 282240890 /nfs/dbraw/zinc/24/08/90/282240890.db2.gz XMFDOVVAKSMABJ-UHFFFAOYSA-N 0 1 268.288 2.203 20 5 CEBDMN O=c1c2c([nH]n1-c1ccc([N+](=O)[O-])cc1F)CCSC2 ZINC000601943461 346936010 /nfs/dbraw/zinc/93/60/10/346936010.db2.gz QFIJKOBCALOINX-QMMMGPOBSA-N 0 1 295.295 2.190 20 5 CEBDMN O=C(N[C@@H](c1ccco1)c1ccccc1)[C@H]1CC1[N+](=O)[O-] ZINC000044358302 343470147 /nfs/dbraw/zinc/47/01/47/343470147.db2.gz MRKNAHGTSKSQQS-SGMGOOAPSA-N 0 1 286.287 2.150 20 5 CEBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@@H]1Cc1ccc(F)cc1 ZINC000056000187 343612479 /nfs/dbraw/zinc/61/24/79/343612479.db2.gz ADFKGMPZTQZVOJ-MCIONIFRSA-N 0 1 292.310 2.024 20 5 CEBDMN O=[N+]([O-])c1c(F)cccc1NCc1n[nH]c(C2CC2)n1 ZINC000295046000 199317581 /nfs/dbraw/zinc/31/75/81/199317581.db2.gz XDRZTVVFBJITIY-UHFFFAOYSA-N 0 1 277.259 2.342 20 5 CEBDMN O=C([O-])[C@H]1CCC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000602067386 346968048 /nfs/dbraw/zinc/96/80/48/346968048.db2.gz RAQVMIXFRGZPAM-RJNRQISESA-N 0 1 290.319 2.405 20 5 CEBDMN COc1ccc([N+](=O)[O-])cc1CN1CCCC[C@H]1CCO ZINC000049801449 362376101 /nfs/dbraw/zinc/37/61/01/362376101.db2.gz CPEKMGBWQSBIKJ-ZDUSSCGKSA-N 0 1 294.351 2.340 20 5 CEBDMN Cc1c([C@@H](C)NCc2cncn2C)cccc1[N+](=O)[O-] ZINC000289614795 344682213 /nfs/dbraw/zinc/68/22/13/344682213.db2.gz DGZVDBOVGRKQRT-LLVKDONJSA-N 0 1 274.324 2.488 20 5 CEBDMN C[C@H](C[N@@H+](C)[C@H](C)c1cccc([N+](=O)[O-])c1)C(=O)[O-] ZINC000251125333 344635578 /nfs/dbraw/zinc/63/55/78/344635578.db2.gz SEVBJURILQFVLQ-NXEZZACHSA-N 0 1 266.297 2.308 20 5 CEBDMN O=[N+]([O-])c1cc(CN2CC[C@H](CCCO)C2)cs1 ZINC000449793272 282370190 /nfs/dbraw/zinc/37/01/90/282370190.db2.gz WCVZIUSVRYKEEG-JTQLQIEISA-N 0 1 270.354 2.251 20 5 CEBDMN Cc1cc(CNc2c3ccccc3ncc2[N+](=O)[O-])n[nH]1 ZINC000589863265 345102956 /nfs/dbraw/zinc/10/29/56/345102956.db2.gz FMBIDZNKFXLELZ-UHFFFAOYSA-N 0 1 283.291 2.209 20 5 CEBDMN C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C[C@H]1COCCO1 ZINC000590684671 345160342 /nfs/dbraw/zinc/16/03/42/345160342.db2.gz OZAMHUONFMRNIV-RISCZKNCSA-N 0 1 280.324 2.003 20 5 CEBDMN CC[C@@H]1CN(Cc2cc(O)ccc2[N+](=O)[O-])[C@H](C)CO1 ZINC000593061406 345430829 /nfs/dbraw/zinc/43/08/29/345430829.db2.gz KGPYSDDAGQKOJY-ZWNOBZJWSA-N 0 1 280.324 2.300 20 5 CEBDMN C[C@@H]1CN(C)[C@H](C)[C@@H](C)N1C(=O)c1csc([N+](=O)[O-])c1 ZINC000593187906 345451017 /nfs/dbraw/zinc/45/10/17/345451017.db2.gz VVZYKIXEYKIBNQ-OPRDCNLKSA-N 0 1 297.380 2.209 20 5 CEBDMN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccncc1 ZINC000105565113 232193985 /nfs/dbraw/zinc/19/39/85/232193985.db2.gz FWXRWBYQTHWYBM-UHFFFAOYSA-N 0 1 293.304 2.099 20 5 CEBDMN CC1=CC[N@H+](Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC000593737503 345530249 /nfs/dbraw/zinc/53/02/49/345530249.db2.gz MMNMMROYUMTXHV-UHFFFAOYSA-N 0 1 276.292 2.445 20 5 CEBDMN CC1=CC[N@@H+](Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC000593737503 345530253 /nfs/dbraw/zinc/53/02/53/345530253.db2.gz MMNMMROYUMTXHV-UHFFFAOYSA-N 0 1 276.292 2.445 20 5 CEBDMN C[C@H](C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1)C(=O)[O-] ZINC000593749172 345532690 /nfs/dbraw/zinc/53/26/90/345532690.db2.gz ACRWWMCJHNUXMM-SNVBAGLBSA-N 0 1 278.308 2.280 20 5 CEBDMN COC[C@@H](C)N[C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595006609 345725648 /nfs/dbraw/zinc/72/56/48/345725648.db2.gz MBUYIVSXOAMMBT-NXEZZACHSA-N 0 1 268.313 2.289 20 5 CEBDMN O=[N+]([O-])c1cc(F)ccc1CN1CC[C@@]2(CCOC2)C1 ZINC000595337931 345764233 /nfs/dbraw/zinc/76/42/33/345764233.db2.gz DJPSJTKZHULLGU-CQSZACIVSA-N 0 1 280.299 2.346 20 5 CEBDMN O=[N+]([O-])c1ccc(O)cc1CN1CC[C@@H]1C(F)(F)F ZINC000595489505 345794510 /nfs/dbraw/zinc/79/45/10/345794510.db2.gz TVDGWYXMPPXFKL-SNVBAGLBSA-N 0 1 276.214 2.437 20 5 CEBDMN CC[C@@H](C)[N@@H+](CCO)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595494889 345796086 /nfs/dbraw/zinc/79/60/86/345796086.db2.gz CVLVFYDDXQEPFE-SNVBAGLBSA-N 0 1 270.304 2.327 20 5 CEBDMN CC[C@@H](C)N(CCO)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595494889 345796088 /nfs/dbraw/zinc/79/60/88/345796088.db2.gz CVLVFYDDXQEPFE-SNVBAGLBSA-N 0 1 270.304 2.327 20 5 CEBDMN CO[C@]1(C)C[C@@H](NCc2onc(C)c2[N+](=O)[O-])C1(C)C ZINC000595513532 345801361 /nfs/dbraw/zinc/80/13/61/345801361.db2.gz VMWNDYZVWJNQAI-ZWNOBZJWSA-N 0 1 283.328 2.184 20 5 CEBDMN O=[N+]([O-])c1cc(F)ccc1CN1CCC[C@@](O)(C2CC2)C1 ZINC000595748235 345864622 /nfs/dbraw/zinc/86/46/22/345864622.db2.gz DSQBQQNMHZZSHG-HNNXBMFYSA-N 0 1 294.326 2.471 20 5 CEBDMN COc1cc([N+](=O)[O-])ccc1CN1C[C@H]2COC[C@]2(C)C1 ZINC000595759404 345869338 /nfs/dbraw/zinc/86/93/38/345869338.db2.gz PQLSVIRLFNZJEB-WFASDCNBSA-N 0 1 292.335 2.072 20 5 CEBDMN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC2CC1(C)C2 ZINC000595915812 345912530 /nfs/dbraw/zinc/91/25/30/345912530.db2.gz OIPMZYFNTICFHC-RWWNRMGGSA-N 0 1 289.335 2.406 20 5 CEBDMN COCc1nc(CNc2ccc([N+](=O)[O-])cc2Cl)n[nH]1 ZINC000596437435 346024548 /nfs/dbraw/zinc/02/45/48/346024548.db2.gz YDVSHPHNDHNTAM-UHFFFAOYSA-N 0 1 297.702 2.125 20 5 CEBDMN COCc1nnc(CNc2ccc([N+](=O)[O-])cc2Cl)[nH]1 ZINC000596437435 346024551 /nfs/dbraw/zinc/02/45/51/346024551.db2.gz YDVSHPHNDHNTAM-UHFFFAOYSA-N 0 1 297.702 2.125 20 5 CEBDMN COc1ccc([N+](=O)[O-])cc1CN[C@H]1CO[C@@H](C2CC2)C1 ZINC000597055655 346121674 /nfs/dbraw/zinc/12/16/74/346121674.db2.gz NHQRIYHVSZWCIG-IUODEOHRSA-N 0 1 292.335 2.261 20 5 CEBDMN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000597665377 346212481 /nfs/dbraw/zinc/21/24/81/346212481.db2.gz HLFSXLFXNFARNL-LLVKDONJSA-N 0 1 277.324 2.102 20 5 CEBDMN O=[N+]([O-])c1ccc(CN[C@H]2CO[C@@H](C3CC3)C2)c(F)c1 ZINC000599010635 346446402 /nfs/dbraw/zinc/44/64/02/346446402.db2.gz SUKNQZWYEAIGHQ-BXUZGUMPSA-N 0 1 280.299 2.391 20 5 CEBDMN Cc1ccc([N+](=O)[O-])c(N2CCN(CCCF)CC2)c1 ZINC000599094686 346459254 /nfs/dbraw/zinc/45/92/54/346459254.db2.gz XTUPUTDIYZCYMJ-UHFFFAOYSA-N 0 1 281.331 2.385 20 5 CEBDMN Cc1cc(N2CCN(CCCF)CC2)ccc1[N+](=O)[O-] ZINC000599091641 346459294 /nfs/dbraw/zinc/45/92/94/346459294.db2.gz DCMPEGNULHLZOD-UHFFFAOYSA-N 0 1 281.331 2.385 20 5 CEBDMN Cc1cc(C[C@H](C)Nc2ncc(F)cc2[N+](=O)[O-])[nH]n1 ZINC000601131539 346763794 /nfs/dbraw/zinc/76/37/94/346763794.db2.gz MIAULTUUWBGERN-ZETCQYMHSA-N 0 1 279.275 2.204 20 5 CEBDMN Cc1nc([C@@H]2CCCN(c3ccc([N+](=O)[O-])cc3)C2)n[nH]1 ZINC000271642759 136618306 /nfs/dbraw/zinc/61/83/06/136618306.db2.gz QADXXDYTMKDQIN-LLVKDONJSA-N 0 1 287.323 2.405 20 5 CEBDMN Cc1nnc([C@@H]2CCCN(c3ccc([N+](=O)[O-])cc3)C2)[nH]1 ZINC000271642759 136618307 /nfs/dbraw/zinc/61/83/07/136618307.db2.gz QADXXDYTMKDQIN-LLVKDONJSA-N 0 1 287.323 2.405 20 5 CEBDMN Cc1cc([N+](=O)[O-])ccc1CN[C@@H](C)[C@@H](O)C(F)(F)F ZINC000601153462 346771304 /nfs/dbraw/zinc/77/13/04/346771304.db2.gz OIVLIIFWXIYLFW-GZMMTYOYSA-N 0 1 292.257 2.305 20 5 CEBDMN Cc1[nH]ncc1CN(C)c1c(F)cccc1[N+](=O)[O-] ZINC000601181074 346778819 /nfs/dbraw/zinc/77/88/19/346778819.db2.gz FBQCJOZCAQTUTQ-UHFFFAOYSA-N 0 1 264.260 2.402 20 5 CEBDMN O=[N+]([O-])c1sccc1N1CCCc2[nH]ncc2C1 ZINC000601199723 346785493 /nfs/dbraw/zinc/78/54/93/346785493.db2.gz WGJVKDXIZXYEPD-UHFFFAOYSA-N 0 1 264.310 2.332 20 5 CEBDMN Cn1cc(CNC(C)(C)c2ccccc2)c([N+](=O)[O-])n1 ZINC000602771928 347192719 /nfs/dbraw/zinc/19/27/19/347192719.db2.gz CBWAERMYQRHUIM-UHFFFAOYSA-N 0 1 274.324 2.353 20 5 CEBDMN Cc1csc([C@H](C)NCCn2c(C)ncc2[N+](=O)[O-])n1 ZINC000602813039 347209678 /nfs/dbraw/zinc/20/96/78/347209678.db2.gz WGZVIAGZEORGAJ-VIFPVBQESA-N 0 1 295.368 2.215 20 5 CEBDMN CC[C@@]1(O)CCCN(Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000602739152 347180707 /nfs/dbraw/zinc/18/07/07/347180707.db2.gz JWOBLDXWOCBSQE-OAHLLOKOSA-N 0 1 294.351 2.340 20 5 CEBDMN CC(C)COCCN[C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000602962131 347257831 /nfs/dbraw/zinc/25/78/31/347257831.db2.gz HVBGSTOEYYODIC-OAHLLOKOSA-N 0 1 296.367 2.065 20 5 CEBDMN CN[C@H](C)c1cn([C@@H](C)c2cc([N+](=O)[O-])ccc2C)nn1 ZINC000603249316 347321335 /nfs/dbraw/zinc/32/13/35/347321335.db2.gz GQOAILACKKIEDE-MNOVXSKESA-N 0 1 289.339 2.384 20 5 CEBDMN Cc1ncc([N+](=O)[O-])n1CCN1CCc2ccccc2C1 ZINC000610651246 347698069 /nfs/dbraw/zinc/69/80/69/347698069.db2.gz PBMNNMFELPFCKL-UHFFFAOYSA-N 0 1 286.335 2.158 20 5 CEBDMN O=C(N[C@@H]1CCC(F)(F)C1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000611558439 347794910 /nfs/dbraw/zinc/79/49/10/347794910.db2.gz LKFWKKUDMNVJKP-MRVPVSSYSA-N 0 1 286.234 2.218 20 5 CEBDMN C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@H](C(=O)[O-])[C@H](C)C1 ZINC000086774770 179327427 /nfs/dbraw/zinc/32/74/27/179327427.db2.gz FHCZQXSSDRKHKQ-NRUUGDAUSA-N 0 1 278.308 2.308 20 5 CEBDMN COc1cc([N+](=O)[O-])ccc1CN1CCC(CCO)CC1 ZINC000619531607 349194864 /nfs/dbraw/zinc/19/48/64/349194864.db2.gz OETXLFDUMKUUCB-UHFFFAOYSA-N 0 1 294.351 2.198 20 5 CEBDMN O=[N+]([O-])c1ccc(Cl)c(CN[C@H]2CCOC2)c1 ZINC000122073272 187013944 /nfs/dbraw/zinc/01/39/44/187013944.db2.gz YTYXDZLUNWAULE-VIFPVBQESA-N 0 1 256.689 2.127 20 5 CEBDMN C[C@H]1CN(CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000072873073 363174573 /nfs/dbraw/zinc/17/45/73/363174573.db2.gz HDHPUBPMXDPHBN-PHIMTYICSA-N 0 1 277.324 2.121 20 5 CEBDMN COc1cc(CN2CC[C@@H](OC)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000451563665 283036465 /nfs/dbraw/zinc/03/64/65/283036465.db2.gz JYMJCNZJJRNIEI-BXUZGUMPSA-N 0 1 294.351 2.460 20 5 CEBDMN CN(C)[C@@H](CNc1ncc([N+](=O)[O-])cn1)c1ccsc1 ZINC000273643505 192244001 /nfs/dbraw/zinc/24/40/01/192244001.db2.gz SPPAAOJVBDJUGS-NSHDSACASA-N 0 1 293.352 2.161 20 5 CEBDMN CC[C@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)C(F)F ZINC000452258615 283234034 /nfs/dbraw/zinc/23/40/34/283234034.db2.gz XGVPFFDOVORJIX-QMMMGPOBSA-N 0 1 298.249 2.245 20 5 CEBDMN O=C([O-])C1(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)CC1 ZINC000578515136 366504754 /nfs/dbraw/zinc/50/47/54/366504754.db2.gz LKGRDIVOQBSJTF-UHFFFAOYSA-N 0 1 290.319 2.424 20 5 CEBDMN Cc1cccc(N2C[C@@H](C)N(C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000338788493 366523275 /nfs/dbraw/zinc/52/32/75/366523275.db2.gz UTZPUWPLGAXCDK-TXEJJXNPSA-N 0 1 263.341 2.432 20 5 CEBDMN C[C@@H]1C[C@@H]1c1ccc(CNCCn2cc([N+](=O)[O-])cn2)o1 ZINC000151257703 366633421 /nfs/dbraw/zinc/63/34/21/366633421.db2.gz IYALZCBCRBRYEK-MFKMUULPSA-N 0 1 290.323 2.298 20 5 CEBDMN COC[C@H](NCc1cc(O)ccc1[N+](=O)[O-])c1ccco1 ZINC000339084122 366646958 /nfs/dbraw/zinc/64/69/58/366646958.db2.gz QRHZPQILHSQDIU-LBPRGKRZSA-N 0 1 292.291 2.371 20 5 CEBDMN COc1ccc(CNCc2ccncc2)cc1[N+](=O)[O-] ZINC000020012420 361573430 /nfs/dbraw/zinc/57/34/30/361573430.db2.gz CERCKNCZCGPGCN-UHFFFAOYSA-N 0 1 273.292 2.288 20 5 CEBDMN Cc1c(CN[C@@H](C)c2cccc([N+](=O)[O-])c2)cnn1C ZINC000093650041 364211454 /nfs/dbraw/zinc/21/14/54/364211454.db2.gz GCJFGNKZEOSRNP-JTQLQIEISA-N 0 1 274.324 2.488 20 5 CEBDMN O=[N+]([O-])c1ccc(CN2CCCC[C@@H]2CCO)cc1F ZINC000094774163 364293607 /nfs/dbraw/zinc/29/36/07/364293607.db2.gz KYFUDRUNETWIDP-GFCCVEGCSA-N 0 1 282.315 2.471 20 5 CEBDMN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC[C@H]1C ZINC000245457784 370822778 /nfs/dbraw/zinc/82/27/78/370822778.db2.gz UMVSTAGFFTWGDQ-GHMZBOCLSA-N 0 1 277.324 2.406 20 5 CEBDMN CN(CCn1cc([N+](=O)[O-])cn1)Cc1cccc(F)c1 ZINC000174808656 368070441 /nfs/dbraw/zinc/07/04/41/368070441.db2.gz NAVSFMHOMSVWDP-UHFFFAOYSA-N 0 1 278.287 2.062 20 5 CEBDMN CCN1C[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000345942956 368490555 /nfs/dbraw/zinc/49/05/55/368490555.db2.gz FIFZHDXYCKLGEO-RYUDHWBXSA-N 0 1 291.351 2.150 20 5 CEBDMN CCN1C[C@@H](C)N(C(=O)c2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000346767182 368789074 /nfs/dbraw/zinc/78/90/74/368789074.db2.gz ICHYBQHXXXEYEL-VXGBXAGGSA-N 0 1 291.351 2.150 20 5 CEBDMN Cc1cccc([N+](=O)[O-])c1NCCN1CCCOCC1 ZINC000188491695 369364902 /nfs/dbraw/zinc/36/49/02/369364902.db2.gz YDXGIFJXUKUYOJ-UHFFFAOYSA-N 0 1 279.340 2.037 20 5 CEBDMN C[C@@H]1CCC[C@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC000188931708 369431882 /nfs/dbraw/zinc/43/18/82/369431882.db2.gz HYTGUPPQUOUXEZ-BDAKNGLRSA-N 0 1 266.301 2.017 20 5 CEBDMN C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+](CCO)CC1CC1 ZINC000352484407 369751154 /nfs/dbraw/zinc/75/11/54/369751154.db2.gz OUOFOCSZXHRZNV-LLVKDONJSA-N 0 1 264.325 2.360 20 5 CEBDMN Cc1cccc(C(=O)N2CCN(C)CC[C@H]2C)c1[N+](=O)[O-] ZINC000353999785 370171462 /nfs/dbraw/zinc/17/14/62/370171462.db2.gz MWNGHKKWPGHBEK-GFCCVEGCSA-N 0 1 291.351 2.069 20 5 CEBDMN C[C@H]1C[C@H](C)N(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000354204353 370258633 /nfs/dbraw/zinc/25/86/33/370258633.db2.gz FMAAGSNUHXTLGS-RYUDHWBXSA-N 0 1 291.351 2.288 20 5 CEBDMN C[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)[C@@H]1C(=O)[O-] ZINC000235320741 370561165 /nfs/dbraw/zinc/56/11/65/370561165.db2.gz CZCCKICIHZFCIS-MFKMUULPSA-N 0 1 278.308 2.280 20 5 CEBDMN C=Cn1cc(CNCc2cccc([N+](=O)[O-])c2C)cn1 ZINC000235817563 370578069 /nfs/dbraw/zinc/57/80/69/370578069.db2.gz UHAZFIJDJLYLJB-UHFFFAOYSA-N 0 1 272.308 2.490 20 5 CEBDMN Cc1ccc([N+](=O)[O-])c(NCCN2CC=C(C)CC2)n1 ZINC000358321068 371012274 /nfs/dbraw/zinc/01/22/74/371012274.db2.gz PGXKNQJNHIKVEZ-UHFFFAOYSA-N 0 1 276.340 2.362 20 5 CEBDMN Cc1cc(-c2nc(C3(N)CCC3)no2)cc([N+](=O)[O-])c1 ZINC000261807545 371737308 /nfs/dbraw/zinc/73/73/08/371737308.db2.gz HKRREBRGBTZIAA-UHFFFAOYSA-N 0 1 274.280 2.291 20 5 CEBDMN CCN(Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)CC(C)(C)O ZINC000361256563 371743496 /nfs/dbraw/zinc/74/34/96/371743496.db2.gz CKKFSSSXQQPYGW-UHFFFAOYSA-N 0 1 292.339 2.064 20 5 CEBDMN C[C@@H]1C[C@@H](CO)CCN1Cc1cccc([N+](=O)[O-])c1 ZINC000344146345 217072305 /nfs/dbraw/zinc/07/23/05/217072305.db2.gz PTOYFSCYAOJJSW-YPMHNXCESA-N 0 1 264.325 2.188 20 5 CEBDMN C[C@@H]1C[C@H](c2ccsc2)CN1C(=O)[C@H]1CC1[N+](=O)[O-] ZINC000364639691 372782346 /nfs/dbraw/zinc/78/23/46/372782346.db2.gz NISSDVAIRTVNSX-NUGNTBJXSA-N 0 1 280.349 2.118 20 5 CEBDMN CC[C@@H](NCc1cccc([N+](=O)[O-])c1)[C@H](O)C(F)(F)F ZINC000271036107 373083541 /nfs/dbraw/zinc/08/35/41/373083541.db2.gz YEMVBXXWVFGFLM-MNOVXSKESA-N 0 1 292.257 2.386 20 5 CEBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000369183761 373353554 /nfs/dbraw/zinc/35/35/54/373353554.db2.gz MNSNDWVSVUYKHU-CYZMBNFOSA-N 0 1 294.738 2.321 20 5 CEBDMN Cc1ccc(C[C@@H]2CCCN2C(=O)[C@H]2CC2[N+](=O)[O-])cc1 ZINC000369301549 373380825 /nfs/dbraw/zinc/38/08/25/373380825.db2.gz JMJCKKMVAGHOOO-KKUMJFAQSA-N 0 1 288.347 2.194 20 5 CEBDMN Cc1ccccc1[C@]1(F)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000370005466 373554499 /nfs/dbraw/zinc/55/44/99/373554499.db2.gz GOMLSDKXBWYLEQ-ZLDLUXBVSA-N 0 1 292.310 2.057 20 5 CEBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(C2CCCC2)CC1 ZINC000371117449 373792407 /nfs/dbraw/zinc/79/24/07/373792407.db2.gz LZOBQLPNYXQPAU-OLZOCXBDSA-N 0 1 266.341 2.080 20 5 CEBDMN O=[N+]([O-])c1ccc(F)cc1CN1CCCC[C@@H](CO)C1 ZINC000374047848 374474374 /nfs/dbraw/zinc/47/43/74/374474374.db2.gz CWASAOVVZHXIDE-LLVKDONJSA-N 0 1 282.315 2.328 20 5 CEBDMN COc1cc(NCCN2CC=CCC2)c([N+](=O)[O-])cc1F ZINC000280108289 375093709 /nfs/dbraw/zinc/09/37/09/375093709.db2.gz BNGHQAHRBCMDGD-UHFFFAOYSA-N 0 1 295.314 2.416 20 5 CEBDMN CC1=CCCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000280700987 375289586 /nfs/dbraw/zinc/28/95/86/375289586.db2.gz CEJBAKNAADSCFJ-AWEZNQCLSA-N 0 1 262.309 2.280 20 5 CEBDMN Cc1[nH]nc(C(=O)N2C[C@H](C)[C@@H]3CCCC[C@H]32)c1[N+](=O)[O-] ZINC000408176592 375422789 /nfs/dbraw/zinc/42/27/89/375422789.db2.gz HMWQORURWLXADN-INTQDDNPSA-N 0 1 292.339 2.277 20 5 CEBDMN Cc1[nH]nc(C(=O)N2C[C@@H](C)CCC[C@@H]2C)c1[N+](=O)[O-] ZINC000408223461 375432579 /nfs/dbraw/zinc/43/25/79/375432579.db2.gz DLLOWSBBQQUNIA-IUCAKERBSA-N 0 1 280.328 2.277 20 5 CEBDMN COCC[N@H+]1CC[C@@H](Nc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000286429376 375950626 /nfs/dbraw/zinc/95/06/26/375950626.db2.gz BNTKPBQDERWXLG-LLVKDONJSA-N 0 1 299.758 2.381 20 5 CEBDMN O=C([O-])[C@@]12CCC[C@H]1C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C2 ZINC000262085319 190048286 /nfs/dbraw/zinc/04/82/86/190048286.db2.gz FUCVTRCPVIKMGZ-SWLSCSKDSA-N 0 1 290.319 2.282 20 5 CEBDMN CC[C@@H](C)N(CCO)Cc1cc([N+](=O)[O-])ccc1OC ZINC000287492386 376243789 /nfs/dbraw/zinc/24/37/89/376243789.db2.gz SVEQDBBAOXHICI-LLVKDONJSA-N 0 1 282.340 2.196 20 5 CEBDMN O=[N+]([O-])c1ccc(CN[C@@H]2CCO[C@H]2C2CC2)c(F)c1 ZINC000313685798 376749220 /nfs/dbraw/zinc/74/92/20/376749220.db2.gz QBNPQRHBDUJQNJ-KGLIPLIRSA-N 0 1 280.299 2.391 20 5 CEBDMN CC[N@H+]1C[C@H](C)N(Cc2cc([O-])ccc2[N+](=O)[O-])C[C@H]1C ZINC000330452324 377140018 /nfs/dbraw/zinc/14/00/18/377140018.db2.gz KSYZWENKGJKWGL-NEPJUHHUSA-N 0 1 293.367 2.215 20 5 CEBDMN CC(C)[C@@H]1CCCCN1Cc1c([N+](=O)[O-])ncn1C ZINC000331043601 377255002 /nfs/dbraw/zinc/25/50/02/377255002.db2.gz DPGHHIGVRHLPPH-NSHDSACASA-N 0 1 266.345 2.339 20 5 CEBDMN CCOc1cc(CN2CC[C@H](O)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000331182688 377317111 /nfs/dbraw/zinc/31/71/11/377317111.db2.gz RUQYIRVKJXFUSB-RISCZKNCSA-N 0 1 294.351 2.196 20 5 CEBDMN O=[N+]([O-])c1ccc(CNCc2cnn(CC(F)F)c2)cc1 ZINC000292960579 377369949 /nfs/dbraw/zinc/36/99/49/377369949.db2.gz KEHQOXCXLAJVMJ-UHFFFAOYSA-N 0 1 296.277 2.346 20 5 CEBDMN C[C@@H](C1CC1)N(C)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000332131440 377523562 /nfs/dbraw/zinc/52/35/62/377523562.db2.gz JXPDCPLZUHLTQV-QMMMGPOBSA-N 0 1 264.281 2.171 20 5 CEBDMN CC[C@H]1CCCN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])CC1 ZINC000265315893 190173921 /nfs/dbraw/zinc/17/39/21/190173921.db2.gz UGKLLRDOYIICSA-JTQLQIEISA-N 0 1 280.328 2.279 20 5 CEBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCC[C@@H]1CF ZINC000294173932 377927620 /nfs/dbraw/zinc/92/76/20/377927620.db2.gz STJWLNKZRBPZQN-SECBINFHSA-N 0 1 292.270 2.045 20 5 CEBDMN Cc1ccc([N+](=O)[O-])c(C(=O)N(C)[C@@H]2CCCN(C)C2)c1 ZINC000266103272 190231012 /nfs/dbraw/zinc/23/10/12/190231012.db2.gz ODYJZUPWAVZDTG-GFCCVEGCSA-N 0 1 291.351 2.069 20 5 CEBDMN COCC(COC)N[C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000453364946 378874219 /nfs/dbraw/zinc/87/42/19/378874219.db2.gz WMUVKUWJIDPZNV-NSHDSACASA-N 0 1 282.340 2.215 20 5 CEBDMN COC(=O)[C@@H]1CCN(Cc2ccc(C)c([N+](=O)[O-])c2)[C@H]1C ZINC000347271786 218174783 /nfs/dbraw/zinc/17/47/83/218174783.db2.gz SEVQPFVELVFMTJ-WCQYABFASA-N 0 1 292.335 2.287 20 5 CEBDMN COC(=O)[C@@H]1CCN(Cc2ccc(C)c([N+](=O)[O-])c2)[C@@H]1C ZINC000347271784 218174865 /nfs/dbraw/zinc/17/48/65/218174865.db2.gz SEVQPFVELVFMTJ-DGCLKSJQSA-N 0 1 292.335 2.287 20 5 CEBDMN CCN1CCCN(C(=O)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000299604180 379064548 /nfs/dbraw/zinc/06/45/48/379064548.db2.gz HXOCBGHQIDKKOY-UHFFFAOYSA-N 0 1 291.351 2.071 20 5 CEBDMN C[C@@H]1CCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000299657472 379094845 /nfs/dbraw/zinc/09/48/45/379094845.db2.gz POHWIYMJXSQNFJ-SNVBAGLBSA-N 0 1 288.307 2.487 20 5 CEBDMN COc1ccc(CN2[C@@H](C)CCC[C@H]2CO)cc1[N+](=O)[O-] ZINC000305269913 379701183 /nfs/dbraw/zinc/70/11/83/379701183.db2.gz XMBRIUYDOMAIEC-AAEUAGOBSA-N 0 1 294.351 2.339 20 5 CEBDMN CC(C)N1CC[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000457088227 379660784 /nfs/dbraw/zinc/66/07/84/379660784.db2.gz QPWMKWDDMYYUFH-JTQLQIEISA-N 0 1 297.380 2.211 20 5 CEBDMN Cc1ccncc1N(C)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000548138555 380489315 /nfs/dbraw/zinc/48/93/15/380489315.db2.gz VWSJBJBQMZSPNB-UHFFFAOYSA-N 0 1 287.275 2.280 20 5 CEBDMN CC(=O)N[C@H]1CCN([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000420955343 394453888 /nfs/dbraw/zinc/45/38/88/394453888.db2.gz LIEQKXSWWGGIPI-YPMHNXCESA-N 0 1 291.351 2.175 20 5 CEBDMN C[C@H]1CCCN1[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000245467452 394499951 /nfs/dbraw/zinc/49/99/51/394499951.db2.gz ZMFRHSADRNERLS-FZMZJTMJSA-N 0 1 289.335 2.184 20 5 CEBDMN COCCN(C/C=C\c1ccccc1[N+](=O)[O-])CCOC ZINC000255564098 394584278 /nfs/dbraw/zinc/58/42/78/394584278.db2.gz DLJMXDFMKZBOSO-ALCCZGGFSA-N 0 1 294.351 2.203 20 5 CEBDMN Cc1cc(C)c([N+](=O)[O-])c(N[C@H]2CCc3[nH]cnc3C2)n1 ZINC000357567452 394701622 /nfs/dbraw/zinc/70/16/22/394701622.db2.gz NOQPGBBBABRXMB-JTQLQIEISA-N 0 1 287.323 2.299 20 5 CEBDMN Cc1cc(C[C@@H](C)Nc2ncc(C)cc2[N+](=O)[O-])[nH]n1 ZINC000268992056 394706244 /nfs/dbraw/zinc/70/62/44/394706244.db2.gz VCQMMTAJACUCKI-SECBINFHSA-N 0 1 275.312 2.373 20 5 CEBDMN CCN1CCCN(c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000342205534 395011650 /nfs/dbraw/zinc/01/16/50/395011650.db2.gz MTMSAIWTHYTFPM-UHFFFAOYSA-N 0 1 267.304 2.266 20 5 CEBDMN C[C@@H]1CCOCCN1Cc1ccccc1[N+](=O)[O-] ZINC000367738683 394970380 /nfs/dbraw/zinc/97/03/80/394970380.db2.gz BWRBDVYUVPAXSH-LLVKDONJSA-N 0 1 250.298 2.206 20 5 CEBDMN C[C@@H](c1ccccc1[N+](=O)[O-])N1C[C@H](O)C2(CC2)C1 ZINC000494699627 395136912 /nfs/dbraw/zinc/13/69/12/395136912.db2.gz QPLOKNUFQWAUHN-GWCFXTLKSA-N 0 1 262.309 2.113 20 5 CEBDMN C[C@H](c1ccccc1[N+](=O)[O-])N1C[C@@H](O)C2(CC2)C1 ZINC000494699630 395137146 /nfs/dbraw/zinc/13/71/46/395137146.db2.gz QPLOKNUFQWAUHN-ZWNOBZJWSA-N 0 1 262.309 2.113 20 5 CEBDMN Cc1ccc([N+](=O)[O-])c(N2C[C@@H](C)N(C)C[C@H]2C)c1 ZINC000351510461 395226372 /nfs/dbraw/zinc/22/63/72/395226372.db2.gz RBEOBELVRXMEAC-VXGBXAGGSA-N 0 1 263.341 2.432 20 5 CEBDMN C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@@](O)(C(F)F)C1 ZINC000451441804 395618350 /nfs/dbraw/zinc/61/83/50/395618350.db2.gz ZJOTZOSQBHTNFE-RNCFNFMXSA-N 0 1 286.278 2.358 20 5 CEBDMN C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@](O)(C(F)F)C1 ZINC000451441803 395618499 /nfs/dbraw/zinc/61/84/99/395618499.db2.gz ZJOTZOSQBHTNFE-NOZJJQNGSA-N 0 1 286.278 2.358 20 5 CEBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@@H](F)C1 ZINC000451192700 395591607 /nfs/dbraw/zinc/59/16/07/395591607.db2.gz INBJILUTXONSEI-LLVKDONJSA-N 0 1 295.314 2.276 20 5 CEBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@@H]1c1cccs1 ZINC000360164145 155233082 /nfs/dbraw/zinc/23/30/82/155233082.db2.gz GCXNSSYTRAQEMQ-OPRDCNLKSA-N 0 1 266.322 2.077 20 5 CEBDMN Cn1ccnc1[C@@H]1CCN(Cc2csc([N+](=O)[O-])c2)C1 ZINC000367705791 156227992 /nfs/dbraw/zinc/22/79/92/156227992.db2.gz QZJFOUDHJHCDRB-LLVKDONJSA-N 0 1 292.364 2.379 20 5 CEBDMN C[S@@](=O)CCCNCc1ccc([N+](=O)[O-])cc1Cl ZINC000168129536 162363600 /nfs/dbraw/zinc/36/36/00/162363600.db2.gz CMNAXAKTNBTZHG-SFHVURJKSA-N 0 1 290.772 2.106 20 5 CEBDMN COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCC[C@@H]1C(=O)[O-] ZINC000035299418 172113546 /nfs/dbraw/zinc/11/35/46/172113546.db2.gz MMTGWQVXEFCZCM-GFCCVEGCSA-N 0 1 294.307 2.043 20 5 CEBDMN C[C@@]1(O)C[C@H](NCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000418103314 228048775 /nfs/dbraw/zinc/04/87/75/228048775.db2.gz ISZOYVKLCZXYEU-WVSHTKLVSA-N 0 1 270.716 2.251 20 5 CEBDMN C[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])[C@H]1CC2CCC1CC2 ZINC000519171945 265357170 /nfs/dbraw/zinc/35/71/70/265357170.db2.gz QAHCIGGWFCLUHM-AGVGLQIMSA-N 0 1 292.339 2.263 20 5 CEBDMN COc1ccc([N+](=O)[O-])cc1CN1C[C@H](CO)C[C@H](C)C1 ZINC000398698605 270361635 /nfs/dbraw/zinc/36/16/35/270361635.db2.gz SCIDZTXFAKEYNW-NWDGAFQWSA-N 0 1 294.351 2.054 20 5 CEBDMN CCCN1CCN(c2ccc(C)cc2[N+](=O)[O-])CC1 ZINC000301444746 273614156 /nfs/dbraw/zinc/61/41/56/273614156.db2.gz PBIZRXSFNJZDBI-UHFFFAOYSA-N 0 1 263.341 2.435 20 5 CEBDMN CCCN1CCN(c2nc(C)cc(C)c2[N+](=O)[O-])CC1 ZINC000337916850 273614691 /nfs/dbraw/zinc/61/46/91/273614691.db2.gz RNFJQCRGDHNOIN-UHFFFAOYSA-N 0 1 278.356 2.139 20 5 CEBDMN CC(C)NC(=O)[C@@H](C)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000228943514 275655607 /nfs/dbraw/zinc/65/56/07/275655607.db2.gz CVWPAHNPRDIPAA-GHMZBOCLSA-N 0 1 279.340 2.159 20 5 CEBDMN CCC[C@@H]1CNCCN1C(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000359217954 276277209 /nfs/dbraw/zinc/27/72/09/276277209.db2.gz GUZHGIBOTCHYHR-CYBMUJFWSA-N 0 1 291.351 2.117 20 5 CEBDMN CCc1[nH]nc(C(=O)N(C)[C@@H](C)C2(C)CC2)c1[N+](=O)[O-] ZINC000185817482 280126661 /nfs/dbraw/zinc/12/66/61/280126661.db2.gz QOQGFOXUTRBPKQ-QMMMGPOBSA-N 0 1 280.328 2.141 20 5 CEBDMN CC[C@@H](C)[N@@H+](CCOc1ccccc1[N+](=O)[O-])CC(=O)[O-] ZINC000236866713 280223213 /nfs/dbraw/zinc/22/32/13/280223213.db2.gz WFISPQAIPQAOFS-LLVKDONJSA-N 0 1 296.323 2.159 20 5 CEBDMN Cc1ccc([N+](=O)[O-])c(N2CCN(CC(C)C)CC2)n1 ZINC000178150663 281012122 /nfs/dbraw/zinc/01/21/22/281012122.db2.gz PJHPBKFOWMKDFU-UHFFFAOYSA-N 0 1 278.356 2.076 20 5 CEBDMN CC[C@H]1CC[C@@H](C)N1C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000271830039 281107093 /nfs/dbraw/zinc/10/70/93/281107093.db2.gz RYXRQTDZQLCQGT-APPZFPTMSA-N 0 1 266.301 2.029 20 5 CEBDMN C[C@H]1CCC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])[C@@H]1C(=O)[O-] ZINC000424265567 281140622 /nfs/dbraw/zinc/14/06/22/281140622.db2.gz JXYBSSXLJAAFIX-ZANVPECISA-N 0 1 296.298 2.419 20 5 CEBDMN C[C@H]1CCC[C@H](C)N1Cc1c([N+](=O)[O-])ncn1C ZINC000355344732 299895177 /nfs/dbraw/zinc/89/51/77/299895177.db2.gz DWFLEJAUYVXDLN-UWVGGRQHSA-N 0 1 252.318 2.091 20 5 CEBDMN Cc1nc([C@@H]2CCN(c3ccccc3[N+](=O)[O-])C2)n[nH]1 ZINC000413554901 501002279 /nfs/dbraw/zinc/00/22/79/501002279.db2.gz ODBHTYGBOZPSLE-SNVBAGLBSA-N 0 1 273.296 2.015 20 5 CEBDMN Cc1nnc([C@@H]2CCN(c3ccccc3[N+](=O)[O-])C2)[nH]1 ZINC000413554901 501002282 /nfs/dbraw/zinc/00/22/82/501002282.db2.gz ODBHTYGBOZPSLE-SNVBAGLBSA-N 0 1 273.296 2.015 20 5 CEBDMN CC(=O)NC1CCN([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000050991770 519647173 /nfs/dbraw/zinc/64/71/73/519647173.db2.gz QPRVBWRRZZBKFP-LLVKDONJSA-N 0 1 291.351 2.256 20 5 CEBDMN CCCN(C)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000049480594 521513137 /nfs/dbraw/zinc/51/31/37/521513137.db2.gz QPGVUTULTWLAJB-SNVBAGLBSA-N 0 1 265.313 2.264 20 5 CEBDMN CC[C@@H](C)N(C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000068449935 522050686 /nfs/dbraw/zinc/05/06/86/522050686.db2.gz MVWCYYQFYGJDBF-SNVBAGLBSA-N 0 1 265.313 2.264 20 5 CEBDMN COc1ccc(CN2CCC(C)(CO)CC2)cc1[N+](=O)[O-] ZINC000186892199 524023402 /nfs/dbraw/zinc/02/34/02/524023402.db2.gz SNLXPTAOCIOTOY-UHFFFAOYSA-N 0 1 294.351 2.198 20 5 CEBDMN O=[N+]([O-])c1cccc(F)c1N[C@@H]1CCc2[nH]cnc2C1 ZINC000357576909 534886091 /nfs/dbraw/zinc/88/60/91/534886091.db2.gz DTMQJIYJXPDMAI-MRVPVSSYSA-N 0 1 276.271 2.426 20 5 CEBDMN C[C@@H]1CCCN1Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000751923279 575301172 /nfs/dbraw/zinc/30/11/72/575301172.db2.gz ASULATHDJKZWBY-LLVKDONJSA-N 0 1 287.323 2.295 20 5 CEBDMN Cc1nn(CN2CCC[C@H]2C)c2ncc([N+](=O)[O-])cc12 ZINC000751924273 575301219 /nfs/dbraw/zinc/30/12/19/575301219.db2.gz IYHPATFTEGIBFR-SECBINFHSA-N 0 1 275.312 2.090 20 5 CEBDMN O=C(OC[C@H]1Cc2ccccc2O1)c1ccc([N+](=O)[O-])[nH]1 ZINC000753574956 575330817 /nfs/dbraw/zinc/33/08/17/575330817.db2.gz KYLJULFUJWMMBR-SNVBAGLBSA-N 0 1 288.259 2.083 20 5 CEBDMN CC1(C)COC[C@@H]1NCc1cc(F)ccc1[N+](=O)[O-] ZINC000313010274 628575602 /nfs/dbraw/zinc/57/56/02/628575602.db2.gz ACXDONUPVJEQHU-LBPRGKRZSA-N 0 1 268.288 2.249 20 5 CEBDMN Cc1cc(C(=O)Nc2cc([N+](=O)[O-])c(F)cc2F)on1 ZINC000066961043 628793553 /nfs/dbraw/zinc/79/35/53/628793553.db2.gz AZQJNVIDFZTCSI-UHFFFAOYSA-N 0 1 283.190 2.422 20 5 CEBDMN CCN1CCN(c2cccc(F)c2[N+](=O)[O-])C[C@H]1C ZINC000250205354 628919885 /nfs/dbraw/zinc/91/98/85/628919885.db2.gz BXOGZEXIYCWNAR-SNVBAGLBSA-N 0 1 267.304 2.264 20 5 CEBDMN COc1ccc(OC(=O)[C@@H]2CC2[N+](=O)[O-])c2ccccc12 ZINC000841131634 629211175 /nfs/dbraw/zinc/21/11/75/629211175.db2.gz BHIDLBWBGVHMKT-VXGBXAGGSA-N 0 1 287.271 2.419 20 5 CEBDMN Cc1ccc(F)c([C@@H](C)OC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC000841163526 629227331 /nfs/dbraw/zinc/22/73/31/629227331.db2.gz FXDLCEYXHDYULA-HLUHBDAQSA-N 0 1 267.256 2.404 20 5 CEBDMN C[C@@H](CCOC(=O)[C@@H]1CC1[N+](=O)[O-])OCc1ccccc1 ZINC000840673335 629355587 /nfs/dbraw/zinc/35/55/87/629355587.db2.gz KVZAHCJPUNCXJY-IACUBPJLSA-N 0 1 293.319 2.190 20 5 CEBDMN CCc1cc(CNc2c([N+](=O)[O-])c(C)nn2CC)n[nH]1 ZINC000795095054 629439556 /nfs/dbraw/zinc/43/95/56/629439556.db2.gz JJIKPKBAEQAEIT-UHFFFAOYSA-N 0 1 278.316 2.017 20 5 CEBDMN COc1c(O)ccc(CN2CC[C@@H](SC)C2)c1[N+](=O)[O-] ZINC000894692166 629591241 /nfs/dbraw/zinc/59/12/41/629591241.db2.gz PEWMNIYDQPYAQY-SNVBAGLBSA-N 0 1 298.364 2.246 20 5 CEBDMN CO[C@H]1CC[C@@H]1[N@@H+](C)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000902636060 634756194 /nfs/dbraw/zinc/75/61/94/634756194.db2.gz DURHMDMTXATTPE-JSGCOSHPSA-N 0 1 290.323 2.011 20 5 CEBDMN CO[C@H]1CC[C@@H]1N(C)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000902636060 634756200 /nfs/dbraw/zinc/75/62/00/634756200.db2.gz DURHMDMTXATTPE-JSGCOSHPSA-N 0 1 290.323 2.011 20 5 CEBDMN Cc1cnc(N2CCN(C)[C@H](C(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC000895100945 629896559 /nfs/dbraw/zinc/89/65/59/629896559.db2.gz GBDZGDFLYHSUKM-ZDUSSCGKSA-N 0 1 292.383 2.465 20 5 CEBDMN C[C@@H](OC(=O)c1ccc([N+](=O)[O-])[nH]1)c1ncccc1F ZINC000796993006 630099586 /nfs/dbraw/zinc/09/95/86/630099586.db2.gz LCSMQZYIZJQFJU-SSDOTTSWSA-N 0 1 279.227 2.375 20 5 CEBDMN C[C@H]1[C@H](Nc2nc3c(cc2[N+](=O)[O-])CCCC3)CC[N@H+]1C ZINC000895734955 630324679 /nfs/dbraw/zinc/32/46/79/630324679.db2.gz BGPVCLBBWBRRSA-CMPLNLGQSA-N 0 1 290.367 2.373 20 5 CEBDMN CC(=O)c1c(N[C@@H]2CCN(C)[C@H]2C)cccc1[N+](=O)[O-] ZINC000895734231 630324743 /nfs/dbraw/zinc/32/47/43/630324743.db2.gz KVRIQBADDMOMDK-GXSJLCMTSA-N 0 1 277.324 2.302 20 5 CEBDMN CC(=O)c1cc([N+](=O)[O-])ccc1N[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000895735299 630325791 /nfs/dbraw/zinc/32/57/91/630325791.db2.gz CXQPFYHDQXAODS-NOZJJQNGSA-N 0 1 277.324 2.302 20 5 CEBDMN CC(=O)c1cc([N+](=O)[O-])ccc1N[C@@H]1CCN(C)[C@@H]1C ZINC000895735299 630325794 /nfs/dbraw/zinc/32/57/94/630325794.db2.gz CXQPFYHDQXAODS-NOZJJQNGSA-N 0 1 277.324 2.302 20 5 CEBDMN CC(=O)c1ccc([N+](=O)[O-])cc1N[C@H]1CCN(C)[C@@H]1C ZINC000895738751 630328317 /nfs/dbraw/zinc/32/83/17/630328317.db2.gz ZIQBEZOMFUAFLT-RNCFNFMXSA-N 0 1 277.324 2.302 20 5 CEBDMN CC(C)[C@@H](C(=O)OCc1cc(F)ccc1[N+](=O)[O-])N(C)C ZINC000798821696 630934782 /nfs/dbraw/zinc/93/47/82/630934782.db2.gz KCWJSFKGWDFEGJ-ZDUSSCGKSA-N 0 1 298.314 2.363 20 5 CEBDMN O=[N+]([O-])c1cnc(Nc2cnn(C3CCC3)c2)nc1 ZINC000897102371 630939770 /nfs/dbraw/zinc/93/97/70/630939770.db2.gz IOFHBWSBTMKBSM-UHFFFAOYSA-N 0 1 260.257 2.050 20 5 CEBDMN COC(=O)[C@H]1CCN(Cc2ccc([N+](=O)[O-])c(F)c2)[C@H]1C ZINC000801546126 631286344 /nfs/dbraw/zinc/28/63/44/631286344.db2.gz IDGDAVMSRPWHOB-ONGXEEELSA-N 0 1 296.298 2.117 20 5 CEBDMN CC(C)[C@@H](C(=O)OCc1ccc([N+](=O)[O-])cc1F)N(C)C ZINC000803492356 631572754 /nfs/dbraw/zinc/57/27/54/631572754.db2.gz CMRRSWNBOPAMTD-ZDUSSCGKSA-N 0 1 298.314 2.363 20 5 CEBDMN Cc1nc([C@H](C)OC(=O)c2csc([N+](=O)[O-])c2)n[nH]1 ZINC000840211010 632281529 /nfs/dbraw/zinc/28/15/29/632281529.db2.gz ABNMWZKXPZURNK-YFKPBYRVSA-N 0 1 282.281 2.001 20 5 CEBDMN CC[C@@H]1C[N@@H+](C)CCN1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000814937751 632936350 /nfs/dbraw/zinc/93/63/50/632936350.db2.gz OSEJWOZGDRDXPA-SNVBAGLBSA-N 0 1 294.311 2.033 20 5 CEBDMN CC[C@@H]1CN(C)CCN1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000814937751 632936352 /nfs/dbraw/zinc/93/63/52/632936352.db2.gz OSEJWOZGDRDXPA-SNVBAGLBSA-N 0 1 294.311 2.033 20 5 CEBDMN CON(Cc1cc(O)ccc1[N+](=O)[O-])CC1CCOCC1 ZINC000815111619 632961349 /nfs/dbraw/zinc/96/13/49/632961349.db2.gz DFYPLXPLYPICDL-UHFFFAOYSA-N 0 1 296.323 2.090 20 5 CEBDMN CCc1cc(CN[C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)[nH]n1 ZINC000815581244 633034821 /nfs/dbraw/zinc/03/48/21/633034821.db2.gz ZPDPZCLDBBSEJQ-VIFPVBQESA-N 0 1 289.339 2.313 20 5 CEBDMN CCc1cc(CN[C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)n[nH]1 ZINC000815581244 633034828 /nfs/dbraw/zinc/03/48/28/633034828.db2.gz ZPDPZCLDBBSEJQ-VIFPVBQESA-N 0 1 289.339 2.313 20 5 CEBDMN Cc1cc(COC(=O)c2ccc([N+](=O)[O-])[nH]2)co1 ZINC000816244656 633159079 /nfs/dbraw/zinc/15/90/79/633159079.db2.gz PXIVQFUJWYFTJM-UHFFFAOYSA-N 0 1 250.210 2.181 20 5 CEBDMN O=C([O-])[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000901489111 634140435 /nfs/dbraw/zinc/14/04/35/634140435.db2.gz IKKZBZAPEPKCLN-SECBINFHSA-N 0 1 284.699 2.155 20 5 CEBDMN C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@@H](C(=O)[O-])C1 ZINC000901491533 634142226 /nfs/dbraw/zinc/14/22/26/634142226.db2.gz SXJPIOXLHWXYAB-LWMSPQMPSA-N 0 1 290.319 2.405 20 5 CEBDMN CC(C)N1CCC[C@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000901515712 634171816 /nfs/dbraw/zinc/17/18/16/634171816.db2.gz AHFYKTWZGPGNEV-ZDUSSCGKSA-N 0 1 277.324 2.406 20 5 CEBDMN CCOc1cc(Cl)ccc1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000840392625 634234729 /nfs/dbraw/zinc/23/47/29/634234729.db2.gz LIDMUZMPLJZIIS-PSASIEDQSA-N 0 1 284.699 2.342 20 5 CEBDMN CN[C@@H](CC(C)C)c1nc(CCC(C)(C)[N+](=O)[O-])no1 ZINC000904121132 635460376 /nfs/dbraw/zinc/46/03/76/635460376.db2.gz JERWNIOPTSVRMT-JTQLQIEISA-N 0 1 284.360 2.364 20 5 CEBDMN CN1CCC[C@@H](NC(=O)c2cccc(Cl)c2[N+](=O)[O-])C1 ZINC000149232111 636843000 /nfs/dbraw/zinc/84/30/00/636843000.db2.gz IWEHBTVHSUJABP-SECBINFHSA-N 0 1 297.742 2.072 20 5 CEBDMN CCOc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](CC)N(C)C ZINC000908282260 637284247 /nfs/dbraw/zinc/28/42/47/637284247.db2.gz UFZNMALQWCQHTF-LBPRGKRZSA-N 0 1 295.339 2.272 20 5 CEBDMN Cc1ccc([N+](=O)[O-])c(C)c1CN1CCCOCC1 ZINC000876618336 650361876 /nfs/dbraw/zinc/36/18/76/650361876.db2.gz RKCZHQNZLFALPT-UHFFFAOYSA-N 0 1 264.325 2.434 20 5 CEBDMN CC(C)=CC(=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837331092 639188382 /nfs/dbraw/zinc/18/83/82/639188382.db2.gz JIAUMQAPCNSEDQ-UHFFFAOYSA-N 0 1 251.238 2.310 20 5 CEBDMN CC[C@@H](C)C(=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837366893 639204665 /nfs/dbraw/zinc/20/46/65/639204665.db2.gz CVEOQIKVQKLPTQ-MRVPVSSYSA-N 0 1 253.254 2.390 20 5 CEBDMN CC1(C(=O)OCc2cc(O)ccc2[N+](=O)[O-])CCOCC1 ZINC000837495774 639253306 /nfs/dbraw/zinc/25/33/06/639253306.db2.gz OQLDFLJRXSQUKX-UHFFFAOYSA-N 0 1 295.291 2.160 20 5 CEBDMN O=C(CC1(O)CCCC1)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837529539 639268222 /nfs/dbraw/zinc/26/82/22/639268222.db2.gz ARTDBUMMFLWSEM-UHFFFAOYSA-N 0 1 295.291 2.039 20 5 CEBDMN O=C(OCc1cc(O)ccc1[N+](=O)[O-])C1CCC(=O)CC1 ZINC000837565330 639284912 /nfs/dbraw/zinc/28/49/12/639284912.db2.gz DPZIBWHGLYKWLH-UHFFFAOYSA-N 0 1 293.275 2.103 20 5 CEBDMN O=C(OCc1cc(O)ccc1[N+](=O)[O-])[C@@H]1CCSC1 ZINC000837578891 639292210 /nfs/dbraw/zinc/29/22/10/639292210.db2.gz SFSHKTZVFQVLEY-MRVPVSSYSA-N 0 1 283.305 2.097 20 5 CEBDMN O=C(C[C@@H]1CCCOC1)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837695144 639346650 /nfs/dbraw/zinc/34/66/50/639346650.db2.gz DYKRCZGCPCIMHR-JTQLQIEISA-N 0 1 295.291 2.160 20 5 CEBDMN CC[C@H](C)[C@H](OC)C(=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837696763 639347606 /nfs/dbraw/zinc/34/76/06/639347606.db2.gz QNZAEVUICAOKQY-ZANVPECISA-N 0 1 297.307 2.405 20 5 CEBDMN CC(C)C[C@@H](O)CNCc1csc([N+](=O)[O-])c1 ZINC000225588883 639508047 /nfs/dbraw/zinc/50/80/47/639508047.db2.gz OTRZNTRUTCNMLP-SNVBAGLBSA-N 0 1 258.343 2.153 20 5 CEBDMN CCCCO[C@@H]1C[C@H](OC(=O)[C@@H]2CC2[N+](=O)[O-])C1(C)C ZINC000842318430 640012491 /nfs/dbraw/zinc/01/24/91/640012491.db2.gz LNXBOYRDEYSOSM-KKOKHZNYSA-N 0 1 285.340 2.179 20 5 CEBDMN CC(C)(C)SCCCOC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000842329922 640017881 /nfs/dbraw/zinc/01/78/81/640017881.db2.gz MIAFFHCBDXKTPN-RKDXNWHRSA-N 0 1 261.343 2.117 20 5 CEBDMN CNc1ccc(-c2nc([C@H](N)C(C)C)no2)cc1[N+](=O)[O-] ZINC000843148304 640307127 /nfs/dbraw/zinc/30/71/27/640307127.db2.gz PHWKIPLJWQBHNS-LLVKDONJSA-N 0 1 291.311 2.342 20 5 CEBDMN CCCN[C@H](C)c1nc(Cc2ccc([N+](=O)[O-])cn2)no1 ZINC000843192380 640343262 /nfs/dbraw/zinc/34/32/62/640343262.db2.gz TXIHMLMFPLMISU-SECBINFHSA-N 0 1 291.311 2.024 20 5 CEBDMN O=[N+]([O-])c1ccnn1CN1CCC[C@H]1C1CCCC1 ZINC000917620137 640906073 /nfs/dbraw/zinc/90/60/73/640906073.db2.gz IYMBPWSUMRHLFA-LBPRGKRZSA-N 0 1 264.329 2.403 20 5 CEBDMN CCN1CCN(c2cc(OC)c(C)cc2[N+](=O)[O-])C[C@H]1C ZINC000853458502 643776810 /nfs/dbraw/zinc/77/68/10/643776810.db2.gz NLSFXIDRWKMOCM-GFCCVEGCSA-N 0 1 293.367 2.442 20 5 CEBDMN O=[N+]([O-])c1ccc(-c2ncn(CN3CC[C@H]4C[C@H]4C3)n2)cc1 ZINC000853581283 643822180 /nfs/dbraw/zinc/82/21/80/643822180.db2.gz UHZWTUSAHCFMHL-STQMWFEESA-N 0 1 299.334 2.153 20 5 CEBDMN C[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccccc1Cl ZINC000839456588 644235689 /nfs/dbraw/zinc/23/56/89/644235689.db2.gz NESULPNYSQRLGK-BCMRRPTOSA-N 0 1 268.700 2.182 20 5 CEBDMN C[C@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC[C@@H]1c1ccccc1 ZINC000839692223 644775253 /nfs/dbraw/zinc/77/52/53/644775253.db2.gz JKBSCNLAILAWMG-SPWCGHHHSA-N 0 1 288.347 2.304 20 5 CEBDMN Cc1ccc(CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C2CC2)cc1C ZINC000839692769 644775262 /nfs/dbraw/zinc/77/52/62/644775262.db2.gz MMDUUEMBUDICSH-HUUCEWRRSA-N 0 1 288.347 2.460 20 5 CEBDMN CCc1c(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cnn1CCC(C)C ZINC000839735897 644786557 /nfs/dbraw/zinc/78/65/57/644786557.db2.gz HNZHRCXAPUCBGM-ZWNOBZJWSA-N 0 1 294.355 2.095 20 5 CEBDMN CC[C@@H]1c2ccccc2CCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839707212 644787372 /nfs/dbraw/zinc/78/73/72/644787372.db2.gz CLYDBPUIRBWOEB-MGPQQGTHSA-N 0 1 274.320 2.188 20 5 CEBDMN O=C(N[C@@H]1C[C@H]1c1ccc(Cl)c(F)c1)[C@@H]1CC1[N+](=O)[O-] ZINC000839750603 644805427 /nfs/dbraw/zinc/80/54/27/644805427.db2.gz NMLJTMFQTZVENA-JTRYMVSWSA-N 0 1 298.701 2.116 20 5 CEBDMN C[C@@H]1CCN(Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000878031052 650978424 /nfs/dbraw/zinc/97/84/24/650978424.db2.gz OUWBHWHDFKGCKM-SNVBAGLBSA-N 0 1 288.307 2.487 20 5 CEBDMN CC[C@@H](N[C@H](C)C(=O)N(C)OC)c1cccc([N+](=O)[O-])c1 ZINC000858586987 645212944 /nfs/dbraw/zinc/21/29/44/645212944.db2.gz MITXJCNHLIGHQS-ZWNOBZJWSA-N 0 1 295.339 2.044 20 5 CEBDMN CC[C@H](C)N(OC)C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000764818938 645693234 /nfs/dbraw/zinc/69/32/34/645693234.db2.gz MSNJFPSEOATSEP-QMMMGPOBSA-N 0 1 284.316 2.243 20 5 CEBDMN C[C@H]1CN(Cc2cc(F)ccc2[N+](=O)[O-])[C@@H](C)CN1C ZINC000768767982 646162234 /nfs/dbraw/zinc/16/22/34/646162234.db2.gz CYNQHPSSACHCGP-QWRGUYRKSA-N 0 1 281.331 2.258 20 5 CEBDMN O=C(N[C@@H]1CCc2ccc(Cl)cc21)[C@@H]1CC1[N+](=O)[O-] ZINC000863634794 646773979 /nfs/dbraw/zinc/77/39/79/646773979.db2.gz PVNXWTCLBUXZCQ-IJLUTSLNSA-N 0 1 280.711 2.109 20 5 CEBDMN CC[C@@H]1CN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCS1 ZINC000776589252 647076164 /nfs/dbraw/zinc/07/61/64/647076164.db2.gz QMHGOIPTSIGZJJ-ZIAGYGMSSA-N 0 1 296.392 2.456 20 5 CEBDMN C[C@](O)(CNCc1ccc([N+](=O)[O-])cc1F)c1ccco1 ZINC000778093231 647199382 /nfs/dbraw/zinc/19/93/82/647199382.db2.gz VGHDBBVWPNMMFO-AWEZNQCLSA-N 0 1 294.282 2.324 20 5 CEBDMN CC[C@@H]1C[C@H](OC(=O)c2ccc([N+](=O)[O-])[nH]2)CCO1 ZINC000779302958 647309092 /nfs/dbraw/zinc/30/90/92/647309092.db2.gz MWHQYCRSKVYLMM-RKDXNWHRSA-N 0 1 268.269 2.037 20 5 CEBDMN CS[C@@H]1CC[C@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000780590854 647449334 /nfs/dbraw/zinc/44/93/34/647449334.db2.gz VMABAODXSPSCJO-JOYOIKCWSA-N 0 1 296.348 2.314 20 5 CEBDMN O=[N+]([O-])c1ccc(N2CC(N3CCCC3)C2)c(F)c1 ZINC000865937517 647544364 /nfs/dbraw/zinc/54/43/64/647544364.db2.gz UKJSIALSZHEZDU-UHFFFAOYSA-N 0 1 265.288 2.018 20 5 CEBDMN CCO[C@@H]1C[C@H](N(C)CC[N+](=O)[O-])C12CCCCC2 ZINC000791052950 648476470 /nfs/dbraw/zinc/47/64/70/648476470.db2.gz PWNKMPRARSISIG-QWHCGFSZSA-N 0 1 270.373 2.323 20 5 CEBDMN Cc1c(CN[C@H]2CC(=O)N(C(C)C)C2)cccc1[N+](=O)[O-] ZINC000873057208 649546266 /nfs/dbraw/zinc/54/62/66/649546266.db2.gz PJKVUOUBXSELOJ-ZDUSSCGKSA-N 0 1 291.351 2.002 20 5 CEBDMN C[C@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])c1csc(C2CC2)n1 ZINC000873586074 649704623 /nfs/dbraw/zinc/70/46/23/649704623.db2.gz AKADTRHWXKUTOZ-SKWCMTHISA-N 0 1 282.321 2.290 20 5 CEBDMN COc1cc([N+](=O)[O-])ccc1CN1CC[C@@H](CF)C1 ZINC000880298813 651419407 /nfs/dbraw/zinc/41/94/07/651419407.db2.gz KEDSQAPXOJQSEJ-JTQLQIEISA-N 0 1 268.288 2.395 20 5 CEBDMN CCC(C)(C)N1CCN(c2ccnc(F)c2[N+](=O)[O-])CC1 ZINC000882545760 652130855 /nfs/dbraw/zinc/13/08/55/652130855.db2.gz OTICVXIMKCTJMS-UHFFFAOYSA-N 0 1 296.346 2.440 20 5 CEBDMN CCN1CC[C@H]1CN[C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000883355925 652440298 /nfs/dbraw/zinc/44/02/98/652440298.db2.gz AHLAPMYZKABKFT-QWRGUYRKSA-N 0 1 281.331 2.479 20 5 CEBDMN C[C@@H]1CN(c2ncc(Cl)cc2[N+](=O)[O-])[C@H](C)CN1C ZINC000408067845 719153869 /nfs/dbraw/zinc/15/38/69/719153869.db2.gz PIKFZQZMMHWWNW-RKDXNWHRSA-N 0 1 284.747 2.172 20 5 CEBDMN C[C@@H]1CN(C)[C@@H](C)CN1c1cc(Cl)cc([N+](=O)[O-])n1 ZINC001164640142 719184071 /nfs/dbraw/zinc/18/40/71/719184071.db2.gz UTRZOMCMHMWUJW-DTWKUNHWSA-N 0 1 284.747 2.172 20 5 CEBDMN CCO[C@H]1C[C@H](N(C)C(=O)[C@@H]2CC2[N+](=O)[O-])C1(CC)CC ZINC001126742269 806484651 /nfs/dbraw/zinc/48/46/51/806484651.db2.gz SILUGAKYPWUBCL-NDBYEHHHSA-N 0 1 298.383 2.094 20 5 CEBDMN C[C@@]1(CO)CCCN1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000723039902 802789342 /nfs/dbraw/zinc/78/93/42/802789342.db2.gz YFPSTXJXJGPLQS-ZDUSSCGKSA-N 0 1 268.288 2.081 20 5 CEBDMN O=C(Nc1csnc1-c1ccccc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126306319 804422251 /nfs/dbraw/zinc/42/22/51/804422251.db2.gz NHSSRGRFTTZVLN-MWLCHTKSSA-N 0 1 289.316 2.414 20 5 CEBDMN NCc1nccnc1Nc1ccc([N+](=O)[O-])c2cnccc12 ZINC001171447694 815128753 /nfs/dbraw/zinc/12/87/53/815128753.db2.gz LHXHSCLWXUSUMP-UHFFFAOYSA-N 0 1 296.290 2.135 20 5 CEBDMN CC(=O)OC1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000153304185 807702233 /nfs/dbraw/zinc/70/22/33/807702233.db2.gz FYLFOCUWLXJDCI-UHFFFAOYSA-N 0 1 278.308 2.122 20 5 CEBDMN C[C@@H]1CCN(Cc2ccc([N+](=O)[O-])c(F)c2)C[C@H]1CO ZINC000700415269 809309498 /nfs/dbraw/zinc/30/94/98/809309498.db2.gz NBAAQBIRIPHYDW-PWSUYJOCSA-N 0 1 282.315 2.184 20 5 CEBDMN COC1(OC)CC[C@H]1N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000710969220 810008717 /nfs/dbraw/zinc/00/87/17/810008717.db2.gz WOATXAFJMQSKOR-GXFFZTMASA-N 0 1 280.324 2.397 20 5 CEBDMN Cc1ncc(CN[C@H](C)c2ccc([N+](=O)[O-])cc2)n1C ZINC000689239432 812144561 /nfs/dbraw/zinc/14/45/61/812144561.db2.gz MKQNWIRLFRVYPU-SNVBAGLBSA-N 0 1 274.324 2.488 20 5 CEBDMN COC[C@@H]1CCN1[C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170355376 812392713 /nfs/dbraw/zinc/39/27/13/812392713.db2.gz BXERBOBEHWDKCM-AAEUAGOBSA-N 0 1 294.351 2.255 20 5 CEBDMN CCN(CC(=O)Nc1cc(C)cc([N+](=O)[O-])c1)C1CC1 ZINC001124092586 815596392 /nfs/dbraw/zinc/59/63/92/815596392.db2.gz QNJYYNDNNAAJQD-UHFFFAOYSA-N 0 1 277.324 2.326 20 5 CEBDMN CCN(CC)CC(=O)Nc1cc(C)cc([N+](=O)[O-])c1 ZINC001124126850 815601006 /nfs/dbraw/zinc/60/10/06/815601006.db2.gz UMKUKJSDUISAEN-UHFFFAOYSA-N 0 1 265.313 2.184 20 5 CEBDMN C[C@@]1(COC(=O)c2ccc([N+](=O)[O-])[nH]2)C[C@]1(F)Cl ZINC000821865225 813713156 /nfs/dbraw/zinc/71/31/56/813713156.db2.gz IYRRPZYTSPZIRX-VHSXEESVSA-N 0 1 276.651 2.394 20 5 CEBDMN COc1cc(NC[C@H]2CCN2C)c([N+](=O)[O-])cc1C ZINC000712544019 814764916 /nfs/dbraw/zinc/76/49/16/814764916.db2.gz ALCPVRCCNVVQIS-SNVBAGLBSA-N 0 1 265.313 2.028 20 5 CEBDMN CCOc1cccc(NC[C@@H]2CCN2CC)c1[N+](=O)[O-] ZINC000712550661 814765555 /nfs/dbraw/zinc/76/55/55/814765555.db2.gz VORZKDBIMFJLPS-NSHDSACASA-N 0 1 279.340 2.500 20 5 CEBDMN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CCc2ncncc2C1 ZINC001173227010 815630665 /nfs/dbraw/zinc/63/06/65/815630665.db2.gz MBXIFRFOBKZRHI-GFCCVEGCSA-N 0 1 298.346 2.374 20 5 CEBDMN CC[C@@H](NCc1csc([N+](=O)[O-])c1)[C@@H](O)C(F)F ZINC000294959215 199270463 /nfs/dbraw/zinc/27/04/63/199270463.db2.gz DQNVOAXPRYQPLL-VXNVDRBHSA-N 0 1 280.296 2.151 20 5 CEBDMN Cc1n[nH]cc1CNCc1ccc(C)c([N+](=O)[O-])c1 ZINC000037989252 361972456 /nfs/dbraw/zinc/97/24/56/361972456.db2.gz QGJJHBGMOBLIMO-UHFFFAOYSA-N 0 1 260.297 2.225 20 5 CEBDMN CC1(F)CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1 ZINC000601870556 346919478 /nfs/dbraw/zinc/91/94/78/346919478.db2.gz VBMHEXULHNRHPH-UHFFFAOYSA-N 0 1 282.271 2.265 20 5 CEBDMN CC(C)c1nc(CNCc2ccc([N+](=O)[O-])cc2F)n[nH]1 ZINC000449405398 282223191 /nfs/dbraw/zinc/22/31/91/282223191.db2.gz KQTFHFSFGBKMKO-UHFFFAOYSA-N 0 1 293.302 2.265 20 5 CEBDMN C[C@H]1CCc2[nH]n(-c3cccc([N+](=O)[O-])c3)c(=O)c21 ZINC000601932190 346929326 /nfs/dbraw/zinc/92/93/26/346929326.db2.gz OGIXPRGFVGMVFU-UFBFGSQYSA-N 0 1 259.265 2.344 20 5 CEBDMN CC[C@H]1C(=O)N(c2ccc([N+](=O)[O-])cn2)N=C1C(C)C ZINC000601930723 346929469 /nfs/dbraw/zinc/92/94/69/346929469.db2.gz AURZAFITXDZIHY-SNVBAGLBSA-N 0 1 276.296 2.375 20 5 CEBDMN C[C@H]1CCc2[nH]n(-c3ccc([N+](=O)[O-])cc3)c(=O)c21 ZINC000601935055 346931278 /nfs/dbraw/zinc/93/12/78/346931278.db2.gz OZYZUHSXECWNPG-QPUJVOFHSA-N 0 1 259.265 2.344 20 5 CEBDMN CCCCN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CC1 ZINC000026450646 343390238 /nfs/dbraw/zinc/39/02/38/343390238.db2.gz JXDCYTHEDDKCCG-UHFFFAOYSA-N 0 1 291.351 2.458 20 5 CEBDMN Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc2ccccc2[nH]1 ZINC000067018082 343728849 /nfs/dbraw/zinc/72/88/49/343728849.db2.gz JDFHFOWVLSBMMZ-UHFFFAOYSA-N 0 1 296.286 2.454 20 5 CEBDMN C[C@H](c1ccccc1[N+](=O)[O-])N1CCC(CC(N)=O)CC1 ZINC000075638809 343860438 /nfs/dbraw/zinc/86/04/38/343860438.db2.gz IGDXTQRCDWCMLP-LLVKDONJSA-N 0 1 291.351 2.243 20 5 CEBDMN O=[N+]([O-])c1ccc(NC[C@@H]2CN3CCCC[C@@H]3CO2)cc1 ZINC000090146230 344137939 /nfs/dbraw/zinc/13/79/39/344137939.db2.gz UNGAGPCZHZXERH-HUUCEWRRSA-N 0 1 291.351 2.260 20 5 CEBDMN C[C@@H]1C[C@@H](N(C)Cc2cc([O-])ccc2[N+](=O)[O-])CC[N@H+]1C ZINC000093643695 344228155 /nfs/dbraw/zinc/22/81/55/344228155.db2.gz VNZAVKDJNGLIRA-YPMHNXCESA-N 0 1 293.367 2.215 20 5 CEBDMN CC1(C)[C@H](NCc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1O ZINC000128448367 344336880 /nfs/dbraw/zinc/33/68/80/344336880.db2.gz VEIDERGUZLOLQW-NEPJUHHUSA-N 0 1 284.743 2.497 20 5 CEBDMN CCC[C@@H]1CCCN(Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602473639 347047710 /nfs/dbraw/zinc/04/77/10/347047710.db2.gz BSTOLHJOKRQJPR-LLVKDONJSA-N 0 1 266.345 2.340 20 5 CEBDMN CCCNC(=O)CCNCc1ccc([N+](=O)[O-])cc1Cl ZINC000049963817 362388744 /nfs/dbraw/zinc/38/87/44/362388744.db2.gz BIZKEQGGPNEAGS-UHFFFAOYSA-N 0 1 299.758 2.254 20 5 CEBDMN COC[C@@H]1CCCC[N@H+]1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000449760936 282358246 /nfs/dbraw/zinc/35/82/46/282358246.db2.gz SMVIMHZXAVHPDR-LBPRGKRZSA-N 0 1 280.324 2.301 20 5 CEBDMN O=c1[nH]nc([C@H]2CCCN(c3sccc3[N+](=O)[O-])C2)o1 ZINC000589597806 345088200 /nfs/dbraw/zinc/08/82/00/345088200.db2.gz VDMWOPDUPWNRGW-ZETCQYMHSA-N 0 1 296.308 2.129 20 5 CEBDMN Cc1nc(CSc2ccc([N+](=O)[O-])cc2F)n[nH]1 ZINC000589855594 345102325 /nfs/dbraw/zinc/10/23/25/345102325.db2.gz XXVMXJIFJMPOKX-UHFFFAOYSA-N 0 1 268.273 2.453 20 5 CEBDMN CC[C@@H]1CN(C)CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000590798872 345182182 /nfs/dbraw/zinc/18/21/82/345182182.db2.gz GLOAACCFLZFLMP-GFCCVEGCSA-N 0 1 292.339 2.153 20 5 CEBDMN Cc1cc(CC(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)n[nH]1 ZINC000590551472 345145455 /nfs/dbraw/zinc/14/54/55/345145455.db2.gz WGDUTOQSZSCDDA-UHFFFAOYSA-N 0 1 288.307 2.424 20 5 CEBDMN C[C@@H](CCO)N(C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000593108792 345441218 /nfs/dbraw/zinc/44/12/18/345441218.db2.gz CKUJCVVGLPASJU-VIFPVBQESA-N 0 1 272.732 2.451 20 5 CEBDMN C[C@@H]1[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](C)CN1C ZINC000593188148 345451293 /nfs/dbraw/zinc/45/12/93/345451293.db2.gz WNYUDZQCICGYJW-TUAOUCFPSA-N 0 1 291.351 2.148 20 5 CEBDMN O=[N+]([O-])c1cccc2c1CC[C@H]2NC[C@@H](O)C(F)(F)F ZINC000594501417 345639021 /nfs/dbraw/zinc/63/90/21/345639021.db2.gz VPABRHPHRMNNMJ-MWLCHTKSSA-N 0 1 290.241 2.095 20 5 CEBDMN O=[N+]([O-])c1sccc1NCc1n[nH]c([C@@H]2CCCO2)n1 ZINC000594590118 345653030 /nfs/dbraw/zinc/65/30/30/345653030.db2.gz UGWTUQYOHNHJAY-QMMMGPOBSA-N 0 1 295.324 2.238 20 5 CEBDMN Cc1noc(CN2C[C@H](C)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000595293068 345755887 /nfs/dbraw/zinc/75/58/87/345755887.db2.gz XIQDVBFIWRHCNH-RKDXNWHRSA-N 0 1 253.302 2.369 20 5 CEBDMN O=[N+]([O-])c1cc(F)ccc1CN1CCC[C@@H](CCO)C1 ZINC000595302809 345758531 /nfs/dbraw/zinc/75/85/31/345758531.db2.gz KKAIWAJGTAOFJV-NSHDSACASA-N 0 1 282.315 2.328 20 5 CEBDMN COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@@H]1CO[C@@H](C)C1 ZINC000595046718 345734730 /nfs/dbraw/zinc/73/47/30/345734730.db2.gz QQQJDZZGNLGFCC-DCAQKATOSA-N 0 1 280.324 2.431 20 5 CEBDMN CO[C@@]1(C)CCCN(Cc2onc(C)c2[N+](=O)[O-])CC1 ZINC000595465014 345789493 /nfs/dbraw/zinc/78/94/93/345789493.db2.gz LFCNMIIDESUMHL-ZDUSSCGKSA-N 0 1 283.328 2.282 20 5 CEBDMN CN(Cc1ccc(F)cc1[N+](=O)[O-])C1(CO)CCC1 ZINC000595511778 345800273 /nfs/dbraw/zinc/80/02/73/345800273.db2.gz QNNICLUOBFAESC-UHFFFAOYSA-N 0 1 268.288 2.081 20 5 CEBDMN O=[N+]([O-])c1cc(CN2C[C@@H]3C[C@H](O)CC[C@@H]3C2)cs1 ZINC000595633648 345833207 /nfs/dbraw/zinc/83/32/07/345833207.db2.gz RPFPDDDJRDOFAW-GRYCIOLGSA-N 0 1 282.365 2.249 20 5 CEBDMN COCC1(NCc2onc(C)c2[N+](=O)[O-])CCCCC1 ZINC000595908647 345911535 /nfs/dbraw/zinc/91/15/35/345911535.db2.gz JFOYIUKDOCLTDF-UHFFFAOYSA-N 0 1 283.328 2.330 20 5 CEBDMN Cc1[nH]nc(C(=O)N(C)[C@@H](C)C(C)(C)C)c1[N+](=O)[O-] ZINC000523685399 260266794 /nfs/dbraw/zinc/26/67/94/260266794.db2.gz ZSUJHTBORKRSIX-QMMMGPOBSA-N 0 1 268.317 2.133 20 5 CEBDMN O=C(N[C@@]12C[C@@H]1CCC2)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000597879885 346243872 /nfs/dbraw/zinc/24/38/72/346243872.db2.gz AEQFWLVPJVFHJO-RTHLEPHNSA-N 0 1 286.291 2.144 20 5 CEBDMN CC[C@@H](C)CCNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000597978011 346262228 /nfs/dbraw/zinc/26/22/28/346262228.db2.gz NKVNJAWWWCOSBG-SECBINFHSA-N 0 1 266.297 2.466 20 5 CEBDMN CC12CC(C1)CN2C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000598568133 346375347 /nfs/dbraw/zinc/37/53/47/346375347.db2.gz OJRMQTLJDNJHGS-UHFFFAOYSA-N 0 1 286.291 2.096 20 5 CEBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CC(CC2CC2)C1 ZINC000598781252 346418880 /nfs/dbraw/zinc/41/88/80/346418880.db2.gz JYXQADGWGYLQBF-UHFFFAOYSA-N 0 1 276.292 2.173 20 5 CEBDMN O=[N+]([O-])c1cc(CN[C@@H]2CO[C@H](C3CC3)C2)cs1 ZINC000599006288 346445417 /nfs/dbraw/zinc/44/54/17/346445417.db2.gz GJLWVLMTMPUWNI-QWRGUYRKSA-N 0 1 268.338 2.313 20 5 CEBDMN C[C@@]1(NCc2nc3cc([N+](=O)[O-])ccc3o2)CCCOC1 ZINC000602600265 347095057 /nfs/dbraw/zinc/09/50/57/347095057.db2.gz HMGXGIQFXXYWRU-CQSZACIVSA-N 0 1 291.307 2.395 20 5 CEBDMN CCc1[nH]nc(C(=O)N2C[C@@H]3CCCC[C@@]32C)c1[N+](=O)[O-] ZINC000600758072 346685173 /nfs/dbraw/zinc/68/51/73/346685173.db2.gz OEQKRPMTQDLPKU-XPTSAGLGSA-N 0 1 292.339 2.285 20 5 CEBDMN C/C=C\C[C@H]1CCCN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])C1 ZINC000600805371 346693655 /nfs/dbraw/zinc/69/36/55/346693655.db2.gz FKAXUWRIEHNECZ-BYCRGOAPSA-N 0 1 292.339 2.445 20 5 CEBDMN C[C@@H](CN(C)Cc1cn(C)nc1[N+](=O)[O-])C(C)(C)C ZINC000602760720 347186982 /nfs/dbraw/zinc/18/69/82/347186982.db2.gz QZWIWEWPFWVIOS-JTQLQIEISA-N 0 1 268.361 2.442 20 5 CEBDMN Cc1noc(CN2CCN(C)[C@H](C(C)(C)C)C2)c1[N+](=O)[O-] ZINC000602873777 347234114 /nfs/dbraw/zinc/23/41/14/347234114.db2.gz LEALCPUEUZVGPR-LBPRGKRZSA-N 0 1 296.371 2.053 20 5 CEBDMN CCC[C@H]1C(=O)N(c2ccc([N+](=O)[O-])cn2)N=C1C ZINC000603921245 347398076 /nfs/dbraw/zinc/39/80/76/347398076.db2.gz NBPXNXRPONEGCD-SNVBAGLBSA-N 0 1 262.269 2.129 20 5 CEBDMN Cc1cc(CNc2ncc([N+](=O)[O-])cc2Cl)n[nH]1 ZINC000609893820 347655047 /nfs/dbraw/zinc/65/50/47/347655047.db2.gz KXNZUJZBHILQAP-UHFFFAOYSA-N 0 1 267.676 2.287 20 5 CEBDMN C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@](C)(C(=O)[O-])C1 ZINC000086780095 179330408 /nfs/dbraw/zinc/33/04/08/179330408.db2.gz QDSDIQJAWRKWQH-QMTHXVAHSA-N 0 1 278.308 2.452 20 5 CEBDMN O=[N+]([O-])c1ccccc1/C=C\CN1CC[C@@H](n2cncn2)C1 ZINC000614453091 348203269 /nfs/dbraw/zinc/20/32/69/348203269.db2.gz JEPJHZKQZQFESY-PKXJPQMGSA-N 0 1 299.334 2.147 20 5 CEBDMN O=[N+]([O-])c1ccccc1/C=C/CNC[C@@H](O)C(F)(F)F ZINC000616487333 348509943 /nfs/dbraw/zinc/50/99/43/348509943.db2.gz YFZUOFZQBLJDSD-JOAKQRRISA-N 0 1 290.241 2.121 20 5 CEBDMN C[C@H]1OCC[C@]1(C)NCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000617252622 348658158 /nfs/dbraw/zinc/65/81/58/348658158.db2.gz WPJOWUZQGSGUCV-OTYXRUKQSA-N 0 1 291.307 2.393 20 5 CEBDMN COCC[C@@]1(NCc2c(F)cccc2[N+](=O)[O-])CCOC1 ZINC000618551185 348973616 /nfs/dbraw/zinc/97/36/16/348973616.db2.gz ZXFDNUWIWBEKTB-CQSZACIVSA-N 0 1 298.314 2.019 20 5 CEBDMN CC[C@@H](C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)N(C)C ZINC000352183136 219348936 /nfs/dbraw/zinc/34/89/36/219348936.db2.gz AAJRFHCPFWSGGF-NSHDSACASA-N 0 1 269.276 2.013 20 5 CEBDMN CC[C@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000109627475 186269371 /nfs/dbraw/zinc/26/93/71/186269371.db2.gz KTKAPVLOXYQBHL-QMMMGPOBSA-N 0 1 289.295 2.365 20 5 CEBDMN CCC1(C)CN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000291874331 198091357 /nfs/dbraw/zinc/09/13/57/198091357.db2.gz LEGJLXBDSPLLBS-ZDUSSCGKSA-N 0 1 294.351 2.066 20 5 CEBDMN CCS[C@@H]1CCC[C@@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000132206957 187613997 /nfs/dbraw/zinc/61/39/97/187613997.db2.gz RDZCBKLLYROULB-RKDXNWHRSA-N 0 1 298.368 2.112 20 5 CEBDMN CC(C)[C@H]1CCC[C@@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000152445661 188019615 /nfs/dbraw/zinc/01/96/15/188019615.db2.gz XOYYPOFXJFCALX-VHSXEESVSA-N 0 1 280.328 2.263 20 5 CEBDMN C[C@@H](C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)C(=O)[O-] ZINC000570051798 299234027 /nfs/dbraw/zinc/23/40/27/299234027.db2.gz WJTUMCVSDOBNCK-JTQLQIEISA-N 0 1 278.308 2.280 20 5 CEBDMN CC(C)c1nc(CNCc2csc([N+](=O)[O-])c2)n[nH]1 ZINC000294769787 199174701 /nfs/dbraw/zinc/17/47/01/199174701.db2.gz KDCQKZSQDXGWNR-UHFFFAOYSA-N 0 1 281.341 2.188 20 5 CEBDMN CCN(CCCO)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000135416753 366436021 /nfs/dbraw/zinc/43/60/21/366436021.db2.gz HYVGJFXRNUCXKU-UHFFFAOYSA-N 0 1 272.732 2.453 20 5 CEBDMN Cc1c([C@@H](C)[NH2+]Cc2cc([O-])ccc2[N+](=O)[O-])cnn1C ZINC000339086517 366646302 /nfs/dbraw/zinc/64/63/02/366646302.db2.gz NEZQNXOWIOWLSA-SECBINFHSA-N 0 1 290.323 2.193 20 5 CEBDMN Cc1c([C@@H](C)NCc2cc(O)ccc2[N+](=O)[O-])cnn1C ZINC000339086517 366646307 /nfs/dbraw/zinc/64/63/07/366646307.db2.gz NEZQNXOWIOWLSA-SECBINFHSA-N 0 1 290.323 2.193 20 5 CEBDMN Cn1nccc1CN[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000579494036 366655956 /nfs/dbraw/zinc/65/59/56/366655956.db2.gz DLNVJGCRQKXUII-CYBMUJFWSA-N 0 1 272.308 2.105 20 5 CEBDMN COC(=O)C[C@H]1CCCN1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000179890016 189226562 /nfs/dbraw/zinc/22/65/62/189226562.db2.gz POSBMSNECTXVNG-CYBMUJFWSA-N 0 1 292.335 2.431 20 5 CEBDMN CN(C)[C@@H](CNc1ccncc1[N+](=O)[O-])c1ccsc1 ZINC000340150842 366783545 /nfs/dbraw/zinc/78/35/45/366783545.db2.gz DYJQLCXWEQMKPL-LBPRGKRZSA-N 0 1 292.364 2.188 20 5 CEBDMN COc1cc(F)c([N+](=O)[O-])c(N[C@H](C)c2nnc[nH]2)c1 ZINC000302074313 201333468 /nfs/dbraw/zinc/33/34/68/201333468.db2.gz WZYCSWTVOUTHMF-ZCFIWIBFSA-N 0 1 281.247 2.034 20 5 CEBDMN C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H](C(=O)[O-])C1 ZINC000086729002 363839443 /nfs/dbraw/zinc/83/94/43/363839443.db2.gz CPQJMOOYAGNRMN-PWSUYJOCSA-N 0 1 278.308 2.452 20 5 CEBDMN COc1ccc([N+](=O)[O-])c(NCc2cn[nH]c2C)c1 ZINC000090794585 364064205 /nfs/dbraw/zinc/06/42/05/364064205.db2.gz AQRMQZUFZYSMHK-UHFFFAOYSA-N 0 1 262.269 2.247 20 5 CEBDMN Cc1occc1CN(C)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356422913 370704301 /nfs/dbraw/zinc/70/43/01/370704301.db2.gz QZTKPGZWAIAWDZ-UHFFFAOYSA-N 0 1 290.275 2.474 20 5 CEBDMN C[C@@H]1CCCN(CCNc2ncc([N+](=O)[O-])s2)C1 ZINC000190316775 189560252 /nfs/dbraw/zinc/56/02/52/189560252.db2.gz CIMDMXKNVRRCKZ-SECBINFHSA-N 0 1 270.358 2.195 20 5 CEBDMN CCN1CCCC[C@H]1C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000104333496 364692549 /nfs/dbraw/zinc/69/25/49/364692549.db2.gz JAQPEHYHHHHXFO-AWEZNQCLSA-N 0 1 291.351 2.085 20 5 CEBDMN CC(C)[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])c1ccccc1 ZINC000119362519 365262177 /nfs/dbraw/zinc/26/21/77/365262177.db2.gz LUBARWWIZJCJAJ-LBPRGKRZSA-N 0 1 288.307 2.445 20 5 CEBDMN CC(C)(CNC(=O)c1n[nH]cc1[N+](=O)[O-])c1ccccc1 ZINC000159856401 366952922 /nfs/dbraw/zinc/95/29/22/366952922.db2.gz FOLINJWOHLVNRU-UHFFFAOYSA-N 0 1 288.307 2.026 20 5 CEBDMN CCc1nc([C@@H](C)Nc2ncc(C)cc2[N+](=O)[O-])n[nH]1 ZINC000342779275 367532139 /nfs/dbraw/zinc/53/21/39/367532139.db2.gz BQSGWABJJQROKT-MRVPVSSYSA-N 0 1 276.300 2.152 20 5 CEBDMN Cc1cc(S(=O)(=O)Nc2ccncc2)ccc1[N+](=O)[O-] ZINC000172192825 367695684 /nfs/dbraw/zinc/69/56/84/367695684.db2.gz FERSYGFHDSTQMP-UHFFFAOYSA-N 0 1 293.304 2.099 20 5 CEBDMN CC[C@](C)(NCCn1ccc([N+](=O)[O-])n1)c1nccs1 ZINC000176260026 368216623 /nfs/dbraw/zinc/21/66/23/368216623.db2.gz IQLUCIQZWDHYMB-LBPRGKRZSA-N 0 1 295.368 2.163 20 5 CEBDMN COCCO[C@@H]1CCCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000179341198 368333586 /nfs/dbraw/zinc/33/35/86/368333586.db2.gz DKXGDKWNCBIRMW-OAHLLOKOSA-N 0 1 294.351 2.222 20 5 CEBDMN CCN1C[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000345942950 368489803 /nfs/dbraw/zinc/48/98/03/368489803.db2.gz FIFZHDXYCKLGEO-NEPJUHHUSA-N 0 1 291.351 2.150 20 5 CEBDMN O=[N+]([O-])c1cccc(NCc2n[nH]c(C3CC3)n2)c1 ZINC000187398743 369152091 /nfs/dbraw/zinc/15/20/91/369152091.db2.gz VZASELOCDZOPDY-UHFFFAOYSA-N 0 1 259.269 2.202 20 5 CEBDMN C[C@@H]1CC(O)C[C@H](C)N1Cc1ccccc1[N+](=O)[O-] ZINC000191283309 369698263 /nfs/dbraw/zinc/69/82/63/369698263.db2.gz CCOBWTFAOAZSSL-QYJAPNMZSA-N 0 1 264.325 2.329 20 5 CEBDMN CCc1[nH]nc(C(=O)N(CC(C)C)C(C)C)c1[N+](=O)[O-] ZINC000192476744 369818021 /nfs/dbraw/zinc/81/80/21/369818021.db2.gz HZFFBBKEHBFEKA-UHFFFAOYSA-N 0 1 282.344 2.387 20 5 CEBDMN CCc1[nH]nc(C(=O)N2CCC[C@@H]2C2CCC2)c1[N+](=O)[O-] ZINC000192514017 369823045 /nfs/dbraw/zinc/82/30/45/369823045.db2.gz ZJCQFTQIJJNDBW-LLVKDONJSA-N 0 1 292.339 2.285 20 5 CEBDMN C[C@@H]1CCC[C@@H](N(C)Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000355550068 370596899 /nfs/dbraw/zinc/59/68/99/370596899.db2.gz FQXKWKLJUYTCAE-GHMZBOCLSA-N 0 1 266.345 2.339 20 5 CEBDMN Cc1cnc(C(=O)N2CCc3ccc([N+](=O)[O-])cc32)c(O)c1 ZINC000358894834 371258334 /nfs/dbraw/zinc/25/83/34/371258334.db2.gz AJBGAQSRICTOLD-UHFFFAOYSA-N 0 1 299.286 2.207 20 5 CEBDMN Cc1cc(-c2nc(C3(N)CCC3)no2)ccc1[N+](=O)[O-] ZINC000261740743 371715155 /nfs/dbraw/zinc/71/51/55/371715155.db2.gz LAQPTVHCLMFOFG-UHFFFAOYSA-N 0 1 274.280 2.291 20 5 CEBDMN C[C@@H]1CN(Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1CO ZINC000362063603 372196331 /nfs/dbraw/zinc/19/63/31/372196331.db2.gz HMOUXPIHXMLRBC-MWLCHTKSSA-N 0 1 284.743 2.308 20 5 CEBDMN CCCN(CC(F)F)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000269186999 372369158 /nfs/dbraw/zinc/36/91/58/372369158.db2.gz NENCNVJCGPNIEB-UHFFFAOYSA-N 0 1 288.250 2.418 20 5 CEBDMN CN(Cc1csc([N+](=O)[O-])c1)C[C@@H]1CCC[C@@H]1O ZINC000270063029 372652900 /nfs/dbraw/zinc/65/29/00/372652900.db2.gz HFVKDBPJXZBVIM-QWRGUYRKSA-N 0 1 270.354 2.249 20 5 CEBDMN CCc1[nH]nc(C(=O)N2CC(C3CCCC3)C2)c1[N+](=O)[O-] ZINC000365424955 372856618 /nfs/dbraw/zinc/85/66/18/372856618.db2.gz JTMGQCUGJNRCNQ-UHFFFAOYSA-N 0 1 292.339 2.143 20 5 CEBDMN CN(Cc1nc2cc([N+](=O)[O-])ccc2o1)CC1(O)CCC1 ZINC000353509564 220125140 /nfs/dbraw/zinc/12/51/40/220125140.db2.gz HQSQFJCQIWYYAT-UHFFFAOYSA-N 0 1 291.307 2.083 20 5 CEBDMN CCN(CC(=O)Nc1ccc(OC)c([N+](=O)[O-])c1)C1CC1 ZINC000272773410 373651353 /nfs/dbraw/zinc/65/13/53/373651353.db2.gz FZDLFNOUDLYNFB-UHFFFAOYSA-N 0 1 293.323 2.026 20 5 CEBDMN Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCOC[C@@H](C)C1 ZINC000371893152 374000696 /nfs/dbraw/zinc/00/06/96/374000696.db2.gz DORJRJYLVBLYKN-NSHDSACASA-N 0 1 264.325 2.372 20 5 CEBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCCC[C@H]1Cc1ccccc1 ZINC000372949750 374226614 /nfs/dbraw/zinc/22/66/14/374226614.db2.gz PJEYMGCZGCLDQA-RRFJBIMHSA-N 0 1 288.347 2.275 20 5 CEBDMN C[C@H]1CSCCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000277659336 374598693 /nfs/dbraw/zinc/59/86/93/374598693.db2.gz ZBGGTRACYUDJID-SECBINFHSA-N 0 1 296.348 2.126 20 5 CEBDMN C[C@H]1CCOCCN1Cc1cccc([N+](=O)[O-])c1 ZINC000378496495 375115882 /nfs/dbraw/zinc/11/58/82/375115882.db2.gz KJBKTWRHHFDFFU-NSHDSACASA-N 0 1 250.298 2.206 20 5 CEBDMN C[C@@H]1C[C@@H](C)N(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000408160628 375420393 /nfs/dbraw/zinc/42/03/93/375420393.db2.gz WMEDYGUDVGOTDJ-RKDXNWHRSA-N 0 1 264.281 2.171 20 5 CEBDMN Cc1c([C@H](C)N[C@@H](C)C(=O)NCCF)cccc1[N+](=O)[O-] ZINC000282851288 375594173 /nfs/dbraw/zinc/59/41/73/375594173.db2.gz UCYJKMHOZWLWLF-QWRGUYRKSA-N 0 1 297.330 2.028 20 5 CEBDMN O=[N+]([O-])c1ccc(Cl)cc1NCCN1CCCOCC1 ZINC000286733386 376048970 /nfs/dbraw/zinc/04/89/70/376048970.db2.gz QIPNMXIPPBOWDL-UHFFFAOYSA-N 0 1 299.758 2.382 20 5 CEBDMN Cc1nc([C@@H](C)Nc2ncc([N+](=O)[O-])cc2Cl)n[nH]1 ZINC000286570048 375997664 /nfs/dbraw/zinc/99/76/64/375997664.db2.gz QDIGSVNTZYWFCO-RXMQYKEDSA-N 0 1 282.691 2.243 20 5 CEBDMN Cc1nc(CCNc2cc(Cl)ccc2[N+](=O)[O-])n[nH]1 ZINC000288036147 376365285 /nfs/dbraw/zinc/36/52/85/376365285.db2.gz XEAHBHQQTMHATL-UHFFFAOYSA-N 0 1 281.703 2.329 20 5 CEBDMN Cc1nnc(CCNc2cc(Cl)ccc2[N+](=O)[O-])[nH]1 ZINC000288036147 376365288 /nfs/dbraw/zinc/36/52/88/376365288.db2.gz XEAHBHQQTMHATL-UHFFFAOYSA-N 0 1 281.703 2.329 20 5 CEBDMN CC(C)[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)CC(=O)[O-] ZINC000263565429 190069704 /nfs/dbraw/zinc/06/97/04/190069704.db2.gz FMYKTTZNEJIRGH-UHFFFAOYSA-N 0 1 296.323 2.159 20 5 CEBDMN Cc1[nH]nc(C(=O)N2CCC[C@@H]2C(C)(C)C)c1[N+](=O)[O-] ZINC000264240258 190098341 /nfs/dbraw/zinc/09/83/41/190098341.db2.gz NALIRKBNJIVJEQ-SECBINFHSA-N 0 1 280.328 2.277 20 5 CEBDMN COc1ccc([N+](=O)[O-])cc1CN1CCCC[C@@H]1[C@H](C)O ZINC000264479347 190112904 /nfs/dbraw/zinc/11/29/04/190112904.db2.gz ZNDRCLFTWARLEE-SMDDNHRTSA-N 0 1 294.351 2.339 20 5 CEBDMN O=[N+]([O-])c1ccc([O-])cc1C[N@@H+]1CCCC[C@@H]1CCO ZINC000330579270 377192693 /nfs/dbraw/zinc/19/26/93/377192693.db2.gz OSIZNVAZNRKQEO-GFCCVEGCSA-N 0 1 280.324 2.037 20 5 CEBDMN CC(C)[C@@H]1CN(Cc2cc(O)ccc2[N+](=O)[O-])CCO1 ZINC000330454921 377142090 /nfs/dbraw/zinc/14/20/90/377142090.db2.gz NQASUAYZSCKUGV-AWEZNQCLSA-N 0 1 280.324 2.157 20 5 CEBDMN C[C@H](C1CC1)N(C)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000332131437 377523649 /nfs/dbraw/zinc/52/36/49/377523649.db2.gz JXPDCPLZUHLTQV-MRVPVSSYSA-N 0 1 264.281 2.171 20 5 CEBDMN Cc1noc([C@@H]2CCN(Cc3cccc([N+](=O)[O-])c3)C2)n1 ZINC000332078316 377512321 /nfs/dbraw/zinc/51/23/21/377512321.db2.gz HLECMWIHBFULIO-GFCCVEGCSA-N 0 1 288.307 2.276 20 5 CEBDMN C[C@@H](CO)N(C)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000294091865 377901150 /nfs/dbraw/zinc/90/11/50/377901150.db2.gz LVAKSFXEZBSTNM-QMMMGPOBSA-N 0 1 292.257 2.426 20 5 CEBDMN CCc1nc(CNCc2cc([N+](=O)[O-])ccc2Cl)n[nH]1 ZINC000296207486 378453601 /nfs/dbraw/zinc/45/36/01/378453601.db2.gz ZNYPDWUMVGWSIV-UHFFFAOYSA-N 0 1 295.730 2.219 20 5 CEBDMN O=[N+]([O-])c1ccc(NCCN2C[C@H]3CC[C@@H](C2)O3)c(F)c1 ZINC000450788408 378580023 /nfs/dbraw/zinc/58/00/23/378580023.db2.gz HRKVXXKXSIYJMF-TXEJJXNPSA-N 0 1 295.314 2.009 20 5 CEBDMN C[C@](O)(CNCc1ccccc1[N+](=O)[O-])c1ccco1 ZINC000266154231 190235603 /nfs/dbraw/zinc/23/56/03/190235603.db2.gz LMUHKIJHOMMKKF-AWEZNQCLSA-N 0 1 276.292 2.185 20 5 CEBDMN CN(CCc1ccnn1C)Cc1ccccc1[N+](=O)[O-] ZINC000278526763 194028175 /nfs/dbraw/zinc/02/81/75/194028175.db2.gz DJJKXDWTUGWCSF-UHFFFAOYSA-N 0 1 274.324 2.003 20 5 CEBDMN CC(C)c1[nH]nc(C(=O)N2[C@H](C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000526932301 379712440 /nfs/dbraw/zinc/71/24/40/379712440.db2.gz JLMVDEPMDOZYIP-OCAPTIKFSA-N 0 1 266.301 2.064 20 5 CEBDMN COCCN(Cc1cccc([N+](=O)[O-])c1C)[C@H]1CCOC1 ZINC000490045816 380231133 /nfs/dbraw/zinc/23/11/33/380231133.db2.gz HMLUTLBUHAMKJY-AWEZNQCLSA-N 0 1 294.351 2.141 20 5 CEBDMN O=[N+]([O-])c1ccc(O)cc1CN1CC[C@H](OC(F)F)C1 ZINC000549451463 380602574 /nfs/dbraw/zinc/60/25/74/380602574.db2.gz BDEZLXIRPPEQED-JTQLQIEISA-N 0 1 288.250 2.114 20 5 CEBDMN O=[N+]([O-])c1cccc(F)c1N1CC[C@@H](N2CC=CC2)C1 ZINC000287519490 285156485 /nfs/dbraw/zinc/15/64/85/285156485.db2.gz ZVDMIEQVLHFACQ-LLVKDONJSA-N 0 1 277.299 2.184 20 5 CEBDMN C[C@@H]1CC(O)C[C@@H](C)N1Cc1ccccc1[N+](=O)[O-] ZINC000191283339 130214875 /nfs/dbraw/zinc/21/48/75/130214875.db2.gz CCOBWTFAOAZSSL-GHMZBOCLSA-N 0 1 264.325 2.329 20 5 CEBDMN CO[C@@H](C)CNCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000224148356 130800051 /nfs/dbraw/zinc/80/00/51/130800051.db2.gz JSWYZOABEIAEPE-QMMMGPOBSA-N 0 1 258.705 2.373 20 5 CEBDMN CC(=O)N[C@@H]1CCN([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000420955341 394453479 /nfs/dbraw/zinc/45/34/79/394453479.db2.gz LIEQKXSWWGGIPI-DGCLKSJQSA-N 0 1 291.351 2.175 20 5 CEBDMN CCN(CC)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000049412024 394546732 /nfs/dbraw/zinc/54/67/32/394546732.db2.gz GWVVXBJLIITIRU-UHFFFAOYSA-N 0 1 265.313 2.184 20 5 CEBDMN O=C(N[C@@H]1C=CCCC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356799607 394617651 /nfs/dbraw/zinc/61/76/51/394617651.db2.gz HBDPDLGLAQNSIC-SNVBAGLBSA-N 0 1 262.265 2.139 20 5 CEBDMN Cc1[nH]nc(C(=O)N2CC[C@@H](CC(C)C)C2)c1[N+](=O)[O-] ZINC000266676392 394667915 /nfs/dbraw/zinc/66/79/15/394667915.db2.gz JKTFNOIXKHAHEM-JTQLQIEISA-N 0 1 280.328 2.135 20 5 CEBDMN C[C@H]1CN(Cc2c(Cl)cccc2[N+](=O)[O-])C[C@@H]1CO ZINC000362091017 394844886 /nfs/dbraw/zinc/84/48/86/394844886.db2.gz QZJPQHGGVRSAHT-VHSXEESVSA-N 0 1 284.743 2.308 20 5 CEBDMN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCN[C@H](C)C1 ZINC000415478201 394935902 /nfs/dbraw/zinc/93/59/02/394935902.db2.gz CSFXSXWTHZFVFU-LLVKDONJSA-N 0 1 292.339 2.037 20 5 CEBDMN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCN[C@@H](C)C1 ZINC000415580348 394944804 /nfs/dbraw/zinc/94/48/04/394944804.db2.gz LUDZANVHKAYPFJ-NSHDSACASA-N 0 1 292.339 2.037 20 5 CEBDMN C[C@@H]1CCN(C)CCN1c1ncc([N+](=O)[O-])cc1Cl ZINC000346399870 395098329 /nfs/dbraw/zinc/09/83/29/395098329.db2.gz GJYKNMFZTRYKDG-SECBINFHSA-N 0 1 284.747 2.174 20 5 CEBDMN C[C@@H]1OCC[C@]1(C)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444704462 395447119 /nfs/dbraw/zinc/44/71/19/395447119.db2.gz LISDTMVQFZIBIA-XPTSAGLGSA-N 0 1 290.323 2.128 20 5 CEBDMN Cn1cnc([N+](=O)[O-])c1CN1CCCCC(C)(C)C1 ZINC000446062547 395480457 /nfs/dbraw/zinc/48/04/57/395480457.db2.gz QCJLDPITGOIMDJ-UHFFFAOYSA-N 0 1 266.345 2.340 20 5 CEBDMN O=C([O-])[C@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000263406831 154079293 /nfs/dbraw/zinc/07/92/93/154079293.db2.gz KDTBJLLPOQFHOT-LLVKDONJSA-N 0 1 284.699 2.297 20 5 CEBDMN CC(C)COCCN1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000367050440 156121055 /nfs/dbraw/zinc/12/10/55/156121055.db2.gz PELHXESBBLPRRY-ZDUSSCGKSA-N 0 1 296.371 2.101 20 5 CEBDMN O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccsc1 ZINC000174254050 165101426 /nfs/dbraw/zinc/10/14/26/165101426.db2.gz JYODHPGYZXJLCD-UHFFFAOYSA-N 0 1 284.318 2.457 20 5 CEBDMN O=[N+]([O-])c1cccc(S(=O)(=O)Nc2cccc(O)c2)c1 ZINC000005729502 170133945 /nfs/dbraw/zinc/13/39/45/170133945.db2.gz YJKMYAICWKNGPE-UHFFFAOYSA-N 0 1 294.288 2.101 20 5 CEBDMN C[C@H](NCc1ccc([N+](=O)[O-])cc1)c1cnn(C)c1 ZINC000044498903 175184783 /nfs/dbraw/zinc/18/47/83/175184783.db2.gz LISFQYSLGDJOLX-JTQLQIEISA-N 0 1 260.297 2.179 20 5 CEBDMN Cc1ccc([C@@H](C)NCc2ccnn2C)cc1[N+](=O)[O-] ZINC000071333258 176126021 /nfs/dbraw/zinc/12/60/21/176126021.db2.gz JJNWOQQDMJBHKV-LLVKDONJSA-N 0 1 274.324 2.488 20 5 CEBDMN COCC(C)(C)NCc1cc([N+](=O)[O-])ccc1OC ZINC000076496734 177029006 /nfs/dbraw/zinc/02/90/06/177029006.db2.gz XKWVAGZHOUOHAO-UHFFFAOYSA-N 0 1 268.313 2.118 20 5 CEBDMN CC[C@H]1CN(C)CCN1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000518172476 260348616 /nfs/dbraw/zinc/34/86/16/260348616.db2.gz RNDSNQAOFHDFDF-JTQLQIEISA-N 0 1 299.321 2.399 20 5 CEBDMN O=[N+]([O-])c1ccccc1C=CCN1CC[C@H](c2nnc[nH]2)C1 ZINC000425358697 264070152 /nfs/dbraw/zinc/07/01/52/264070152.db2.gz RCCMEWCAEGUCGL-LQPUYASZSA-N 0 1 299.334 2.216 20 5 CEBDMN C[C@H]1CC[C@@H](CNCc2csc([N+](=O)[O-])c2)O1 ZINC000398129641 270357111 /nfs/dbraw/zinc/35/71/11/270357111.db2.gz KCQGOHOBVJKWJY-WPRPVWTQSA-N 0 1 256.327 2.313 20 5 CEBDMN O=[N+]([O-])c1cc(Cl)cnc1N[C@@H]1CCc2[nH]cnc2C1 ZINC000370265604 275033564 /nfs/dbraw/zinc/03/35/64/275033564.db2.gz JCCAVLBDWSINSB-MRVPVSSYSA-N 0 1 293.714 2.336 20 5 CEBDMN O=[N+]([O-])c1ccc2c(ccnc2N2CCN(C3CC3)CC2)c1 ZINC000294779511 275038841 /nfs/dbraw/zinc/03/88/41/275038841.db2.gz ALCOYXYJBDGQQB-UHFFFAOYSA-N 0 1 298.346 2.427 20 5 CEBDMN CSC[C@@H](O)CN(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000188180233 278134525 /nfs/dbraw/zinc/13/45/25/278134525.db2.gz QIGYBASZYBZHAU-AWEZNQCLSA-N 0 1 296.392 2.283 20 5 CEBDMN C[C@@H]1CN(C)[C@@H](C)CN1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000351760325 288099915 /nfs/dbraw/zinc/09/99/15/288099915.db2.gz UHNGWRSRXRLICS-VHSXEESVSA-N 0 1 299.321 2.397 20 5 CEBDMN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCCC1 ZINC000016445272 279594096 /nfs/dbraw/zinc/59/40/96/279594096.db2.gz PMJQJBIJTLWIEK-SNVBAGLBSA-N 0 1 263.297 2.018 20 5 CEBDMN COCC1=CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000185821289 280126634 /nfs/dbraw/zinc/12/66/34/280126634.db2.gz NCIYUECHPHHRAD-UHFFFAOYSA-N 0 1 262.309 2.373 20 5 CEBDMN C[C@@H]1CCC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])[C@H]1C(=O)[O-] ZINC000424265561 281140578 /nfs/dbraw/zinc/14/05/78/281140578.db2.gz JXYBSSXLJAAFIX-NOZJJQNGSA-N 0 1 296.298 2.419 20 5 CEBDMN Cc1nc([C@H]2CCN(c3cc(C)ccc3[N+](=O)[O-])C2)n[nH]1 ZINC000413544617 282001987 /nfs/dbraw/zinc/00/19/87/282001987.db2.gz BULPIUZEFFXLCK-NSHDSACASA-N 0 1 287.323 2.324 20 5 CEBDMN Cc1nnc([C@H]2CCN(c3cc(C)ccc3[N+](=O)[O-])C2)[nH]1 ZINC000413544617 282001990 /nfs/dbraw/zinc/00/19/90/282001990.db2.gz BULPIUZEFFXLCK-NSHDSACASA-N 0 1 287.323 2.324 20 5 CEBDMN C[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])c1ccc(F)c(F)c1 ZINC000158951110 289243283 /nfs/dbraw/zinc/24/32/83/289243283.db2.gz MKEQHTNJMGIXIN-ZCFIWIBFSA-N 0 1 296.233 2.087 20 5 CEBDMN COc1cc(CN2CCC[C@@H]([C@H](C)O)C2)ccc1[N+](=O)[O-] ZINC000305864288 289274851 /nfs/dbraw/zinc/27/48/51/289274851.db2.gz ZAZXGCLSIJHALQ-WCQYABFASA-N 0 1 294.351 2.196 20 5 CEBDMN C[C@H](NCCOc1ccc([N+](=O)[O-])cc1)c1nccn1C ZINC000538160239 298224703 /nfs/dbraw/zinc/22/47/03/298224703.db2.gz UTQFOLVNHQQULV-NSHDSACASA-N 0 1 290.323 2.058 20 5 CEBDMN C[C@H]1C[C@@H]1c1noc(-c2cc(O)cc([N+](=O)[O-])c2)n1 ZINC000571735159 314103442 /nfs/dbraw/zinc/10/34/42/314103442.db2.gz NMSRFBJCZJCHCO-WKEGUHRASA-N 0 1 261.237 2.474 20 5 CEBDMN CC[C@H](N[C@H](C)c1cc([N+](=O)[O-])ccc1C)C(=O)NC ZINC000579077592 314545112 /nfs/dbraw/zinc/54/51/12/314545112.db2.gz HCXVNBZUVJRYDR-MFKMUULPSA-N 0 1 279.340 2.078 20 5 CEBDMN CC[N@@H+](CC(=O)[O-])Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000050444728 520379158 /nfs/dbraw/zinc/37/91/58/520379158.db2.gz QSVHMFBHBUHJBO-UHFFFAOYSA-N 0 1 272.688 2.155 20 5 CEBDMN Cc1ccc([C@@H]2C[C@H](C)N(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)cc1 ZINC000365892219 525854578 /nfs/dbraw/zinc/85/45/78/525854578.db2.gz ZBPQHFMOTCAVRP-ZGKBOVNRSA-N 0 1 288.347 2.365 20 5 CEBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N(C)Cc1nnc[nH]1 ZINC000182834906 526089336 /nfs/dbraw/zinc/08/93/36/526089336.db2.gz DPCGVKBSQCIBGW-JTQLQIEISA-N 0 1 275.312 2.214 20 5 CEBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCCC2(CC2)C1 ZINC000274686599 526625082 /nfs/dbraw/zinc/62/50/82/526625082.db2.gz YOOFXPUKLHEGGU-UHFFFAOYSA-N 0 1 276.292 2.317 20 5 CEBDMN O=[N+]([O-])c1cccc(CN2CC([C@@H]3CCOC3)C2)c1 ZINC000365563698 527387199 /nfs/dbraw/zinc/38/71/99/527387199.db2.gz UFXMTUKKKQJESL-GFCCVEGCSA-N 0 1 262.309 2.063 20 5 CEBDMN O=C([O-])C[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000050444720 527606292 /nfs/dbraw/zinc/60/62/92/527606292.db2.gz KBEANLYVVHREOB-UHFFFAOYSA-N 0 1 284.699 2.297 20 5 CEBDMN CCN(CCn1ccc([N+](=O)[O-])n1)Cc1occc1C ZINC000412024605 528611766 /nfs/dbraw/zinc/61/17/66/528611766.db2.gz FZTHTYYOTDDNON-UHFFFAOYSA-N 0 1 278.312 2.215 20 5 CEBDMN CCN1CCN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@@H]1C ZINC000754080380 574522632 /nfs/dbraw/zinc/52/26/32/574522632.db2.gz USUWGSCJEUWTLZ-JTQLQIEISA-N 0 1 294.311 2.033 20 5 CEBDMN CO[C@H](CNCc1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000733328827 574664305 /nfs/dbraw/zinc/66/43/05/574664305.db2.gz DRMHIZLRCZUUHR-SNVBAGLBSA-N 0 1 278.230 2.262 20 5 CEBDMN C[C@@H](C[N@@H+](Cc1cc(F)ccc1[N+](=O)[O-])C1CC1)C(=O)[O-] ZINC000736583155 574792765 /nfs/dbraw/zinc/79/27/65/574792765.db2.gz KZLHCZFSUXJTHA-VIFPVBQESA-N 0 1 296.298 2.419 20 5 CEBDMN C[C@@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2)CC[C@@H]1NC(=O)[O-] ZINC000739191558 574898910 /nfs/dbraw/zinc/89/89/10/574898910.db2.gz PNRNDEQDRNTUQS-MFKMUULPSA-N 0 1 293.323 2.073 20 5 CEBDMN CC[N@@H+](CCC(=O)[O-])Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000829705369 601312509 /nfs/dbraw/zinc/31/25/09/601312509.db2.gz SRMBSAJFENIPII-UHFFFAOYSA-N 0 1 293.279 2.033 20 5 CEBDMN C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@](F)(C(=O)[O-])C1 ZINC000827942079 601438437 /nfs/dbraw/zinc/43/84/37/601438437.db2.gz OTOUYLCRFIJEID-RNCFNFMXSA-N 0 1 282.271 2.154 20 5 CEBDMN C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@](F)(C(=O)[O-])C1 ZINC000827942079 601438438 /nfs/dbraw/zinc/43/84/38/601438438.db2.gz OTOUYLCRFIJEID-RNCFNFMXSA-N 0 1 282.271 2.154 20 5 CEBDMN CN(C[C@@H]1CCC[N@H+]1Cc1cccc([N+](=O)[O-])c1)C(=O)[O-] ZINC000828231079 604097115 /nfs/dbraw/zinc/09/71/15/604097115.db2.gz XRWRDXNQXOMQRZ-ZDUSSCGKSA-N 0 1 293.323 2.169 20 5 CEBDMN O=[N+]([O-])c1ncccc1CNC1([C@@H]2CCCCO2)CC1 ZINC000933369966 623687814 /nfs/dbraw/zinc/68/78/14/623687814.db2.gz LVWDVPKGJYLWHC-LBPRGKRZSA-N 0 1 277.324 2.181 20 5 CEBDMN CCN1CC[C@@H]1CNC(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000893869455 629031783 /nfs/dbraw/zinc/03/17/83/629031783.db2.gz AFTLLEHSBQJLEG-GFCCVEGCSA-N 0 1 291.351 2.036 20 5 CEBDMN CC(C)(C)N(Cc1ccccc1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000841169417 629245179 /nfs/dbraw/zinc/24/51/79/629245179.db2.gz KVLNBWGAGLJDCP-CHWSQXEVSA-N 0 1 276.336 2.479 20 5 CEBDMN CO[C@H]1C[C@@H](N(C)Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000795673719 629651400 /nfs/dbraw/zinc/65/14/00/629651400.db2.gz GJSBGMOAWHBBLY-BETUJISGSA-N 0 1 290.323 2.011 20 5 CEBDMN Cc1cc(N[C@H]2CC[N@@H+](C)[C@H]2C)c([N+](=O)[O-])s1 ZINC000895736480 630326735 /nfs/dbraw/zinc/32/67/35/630326735.db2.gz JDEUGPLNJCCHGL-IUCAKERBSA-N 0 1 255.343 2.469 20 5 CEBDMN Cc1cc(N[C@H]2CCN(C)[C@H]2C)c([N+](=O)[O-])s1 ZINC000895736480 630326737 /nfs/dbraw/zinc/32/67/37/630326737.db2.gz JDEUGPLNJCCHGL-IUCAKERBSA-N 0 1 255.343 2.469 20 5 CEBDMN CCN1CCCN(c2c([N+](=O)[O-])cccc2[N+](=O)[O-])CC1 ZINC000804443097 631683149 /nfs/dbraw/zinc/68/31/49/631683149.db2.gz CQKIWAUOUTWKHY-UHFFFAOYSA-N 0 1 294.311 2.035 20 5 CEBDMN Cc1nc([C@@H](C)OC(=O)c2csc([N+](=O)[O-])c2)n[nH]1 ZINC000840211009 632281542 /nfs/dbraw/zinc/28/15/42/632281542.db2.gz ABNMWZKXPZURNK-RXMQYKEDSA-N 0 1 282.281 2.001 20 5 CEBDMN CCCCOc1ccc(CNCC[N+](=O)[O-])cc1OC ZINC000899871748 633063747 /nfs/dbraw/zinc/06/37/47/633063747.db2.gz UOOSFARWIUGVSI-UHFFFAOYSA-N 0 1 282.340 2.240 20 5 CEBDMN CC(C)(C)Oc1ccc(CNCC[N+](=O)[O-])cc1 ZINC000899876311 633068758 /nfs/dbraw/zinc/06/87/58/633068758.db2.gz PWXLZFVNCHKSIV-UHFFFAOYSA-N 0 1 252.314 2.230 20 5 CEBDMN CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C12CC3CC(CC(C3)C1)C2 ZINC000840338084 633619931 /nfs/dbraw/zinc/61/99/31/633619931.db2.gz NVVSXMLFPFASGQ-GQWBEDRXSA-N 0 1 292.379 2.469 20 5 CEBDMN CCOc1ccc(Cl)c(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 ZINC000840475086 635029586 /nfs/dbraw/zinc/02/95/86/635029586.db2.gz TVKLLGRDWPCDFJ-LDYMZIIASA-N 0 1 284.699 2.342 20 5 CEBDMN O=[N+]([O-])CCNCc1cn(C(F)F)c2ccccc12 ZINC000905395430 636270278 /nfs/dbraw/zinc/27/02/78/636270278.db2.gz LYRFGLVUKSLSFP-UHFFFAOYSA-N 0 1 269.251 2.403 20 5 CEBDMN CCc1nc[nH]c1C(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000906751058 636837864 /nfs/dbraw/zinc/83/78/64/636837864.db2.gz WLYPHKIGZJZARC-UHFFFAOYSA-N 0 1 286.291 2.083 20 5 CEBDMN COCCN(CCOC)Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000876526374 650303971 /nfs/dbraw/zinc/30/39/71/650303971.db2.gz SIBZQIDMRLQKEC-UHFFFAOYSA-N 0 1 296.367 2.306 20 5 CEBDMN O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CC[C@@H](CCCO)C1 ZINC000832782062 637668568 /nfs/dbraw/zinc/66/85/68/637668568.db2.gz GKXJNGYZWPFUMO-LLVKDONJSA-N 0 1 282.315 2.328 20 5 CEBDMN O=[N+]([O-])c1ccc(F)cc1CN1CC[C@@H](CCCO)C1 ZINC000832782062 637668597 /nfs/dbraw/zinc/66/85/97/637668597.db2.gz GKXJNGYZWPFUMO-LLVKDONJSA-N 0 1 282.315 2.328 20 5 CEBDMN C[C@H]1C[C@@H](C(=O)OCc2cc(O)ccc2[N+](=O)[O-])CCO1 ZINC000837617053 639310474 /nfs/dbraw/zinc/31/04/74/639310474.db2.gz UXYBNBUOENFOKN-UWVGGRQHSA-N 0 1 295.291 2.159 20 5 CEBDMN COCCC(C)(C)C(=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837638032 639320402 /nfs/dbraw/zinc/32/04/02/639320402.db2.gz ZECVHMUYNYFFIL-UHFFFAOYSA-N 0 1 297.307 2.406 20 5 CEBDMN CO[C@H](C(=O)OCc1cc(O)ccc1[N+](=O)[O-])C(C)C ZINC000837645981 639324705 /nfs/dbraw/zinc/32/47/05/639324705.db2.gz KEUVQYSRXIXDDG-LBPRGKRZSA-N 0 1 283.280 2.015 20 5 CEBDMN O=[N+]([O-])c1ccnn1CN1CCC[C@@H]1C1CCC1 ZINC000102885612 639357908 /nfs/dbraw/zinc/35/79/08/639357908.db2.gz KQWCXVPZYKFGJK-LLVKDONJSA-N 0 1 250.302 2.013 20 5 CEBDMN O=C(O[C@@H]1CCCc2cc(F)ccc21)[C@@H]1CC1[N+](=O)[O-] ZINC000841138078 639688034 /nfs/dbraw/zinc/68/80/34/639688034.db2.gz RSMHEZZYNIRQPQ-JHJVBQTASA-N 0 1 279.267 2.412 20 5 CEBDMN CCCCO[C@@H]1C[C@@H](OC(=O)[C@@H]2CC2[N+](=O)[O-])C1(C)C ZINC000842318427 640012316 /nfs/dbraw/zinc/01/23/16/640012316.db2.gz LNXBOYRDEYSOSM-DDHJBXDOSA-N 0 1 285.340 2.179 20 5 CEBDMN O=[N+]([O-])c1ccc(CN[C@@H]2COC[C@@H]2C2CC2)c(F)c1 ZINC000914435325 640406742 /nfs/dbraw/zinc/40/67/42/640406742.db2.gz BILDKGQHAYXOIG-TZMCWYRMSA-N 0 1 280.299 2.249 20 5 CEBDMN O=[N+]([O-])c1ccc(Cl)cc1CN[C@@H](CO)CCF ZINC000846097864 641180588 /nfs/dbraw/zinc/18/05/88/641180588.db2.gz XCLOSTYKGMDOBZ-SNVBAGLBSA-N 0 1 276.695 2.058 20 5 CEBDMN Cc1ccc([N+](=O)[O-])c(C)c1CN(C)C[C@@H]1COCCO1 ZINC000877629093 650822368 /nfs/dbraw/zinc/82/23/68/650822368.db2.gz QDZTZRNFCBZUFX-CYBMUJFWSA-N 0 1 294.351 2.059 20 5 CEBDMN O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000852669980 643506680 /nfs/dbraw/zinc/50/66/80/643506680.db2.gz UOEVHLLSZGQSSJ-PWSUYJOCSA-N 0 1 280.299 2.202 20 5 CEBDMN O=[N+]([O-])c1ccc(F)cc1CN1CC[C@@H]2COC[C@@H]2C1 ZINC000852669980 643506684 /nfs/dbraw/zinc/50/66/84/643506684.db2.gz UOEVHLLSZGQSSJ-PWSUYJOCSA-N 0 1 280.299 2.202 20 5 CEBDMN O=[N+]([O-])c1ccc(N2CCCc3[nH]ncc3C2)cc1 ZINC000852968453 643610463 /nfs/dbraw/zinc/61/04/63/643610463.db2.gz UCRUCGYKSKRAON-UHFFFAOYSA-N 0 1 258.281 2.271 20 5 CEBDMN O=[N+]([O-])c1ccccc1CN(C[C@@H](O)C1CC1)C1CC1 ZINC000838899404 644076358 /nfs/dbraw/zinc/07/63/58/644076358.db2.gz VKETZAJJESEEQC-OAHLLOKOSA-N 0 1 276.336 2.330 20 5 CEBDMN CC(C)c1ccc(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC000839462551 644228430 /nfs/dbraw/zinc/22/84/30/644228430.db2.gz AGMZQOKKDIKDKR-ZIAGYGMSSA-N 0 1 276.336 2.134 20 5 CEBDMN C[C@H](c1ccccc1F)N(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839508561 644245263 /nfs/dbraw/zinc/24/52/63/644245263.db2.gz HWIZOONNYCQZNO-HLUHBDAQSA-N 0 1 266.272 2.010 20 5 CEBDMN CC(C)(C)[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839508295 644245396 /nfs/dbraw/zinc/24/53/96/644245396.db2.gz GRYBXVFNYYIAGI-WISYIIOYSA-N 0 1 268.357 2.373 20 5 CEBDMN O=C(N[C@H]1CCCC12CCCCC2)[C@@H]1CC1[N+](=O)[O-] ZINC000855200757 644273243 /nfs/dbraw/zinc/27/32/43/644273243.db2.gz ITCJUFXOZZBBSK-UTUOFQBUSA-N 0 1 266.341 2.271 20 5 CEBDMN CCc1nc(C)c([C@@H](C)N(C)C(=O)[C@@H]2CC2[N+](=O)[O-])s1 ZINC000839689807 644774317 /nfs/dbraw/zinc/77/43/17/644774317.db2.gz UBJRVSDSEKKTBQ-OPRDCNLKSA-N 0 1 297.380 2.199 20 5 CEBDMN O=C(NC[C@H]1CCC[C@H](C(F)(F)F)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000839698745 644777263 /nfs/dbraw/zinc/77/72/63/644777263.db2.gz FJGWDMPRHOYXBG-AXTSPUMRSA-N 0 1 294.273 2.137 20 5 CEBDMN CC(C)[C@@H]1N(C(=O)[C@@H]2CC2[N+](=O)[O-])CC12CCCC2 ZINC000839792920 645266996 /nfs/dbraw/zinc/26/69/96/645266996.db2.gz PTCXMDZTVNRDAS-UTUOFQBUSA-N 0 1 266.341 2.079 20 5 CEBDMN O=[N+]([O-])c1ccc(CN2C[C@@H]3CCC[C@]3(CO)C2)cc1F ZINC000859925127 645654517 /nfs/dbraw/zinc/65/45/17/645654517.db2.gz DNKJJYLPDZQAHV-SWLSCSKDSA-N 0 1 294.326 2.328 20 5 CEBDMN O=C(OCC1(C2CC2)CCOCC1)c1ccc([N+](=O)[O-])[nH]1 ZINC000764849851 645699285 /nfs/dbraw/zinc/69/92/85/645699285.db2.gz BRJSLJQIFFLIDH-UHFFFAOYSA-N 0 1 294.307 2.287 20 5 CEBDMN O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2NCc2ccon2)n1 ZINC000774206205 646818972 /nfs/dbraw/zinc/81/89/72/646818972.db2.gz DAVMIKPAGOFSCN-VXGBXAGGSA-N 0 1 291.311 2.053 20 5 CEBDMN O=[N+]([O-])c1ccccc1/C=C/CNC[C@H](O)C(F)(F)F ZINC000788976191 648240099 /nfs/dbraw/zinc/24/00/99/648240099.db2.gz YFZUOFZQBLJDSD-TZNOJPMFSA-N 0 1 290.241 2.121 20 5 CEBDMN C[C@H](NC[C@H]1C[C@H](O)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872126172 649284980 /nfs/dbraw/zinc/28/49/80/649284980.db2.gz JCMYZFOEJAPLFB-GUBZILKMSA-N 0 1 268.288 2.155 20 5 CEBDMN