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2.160 20 5 DEBDRM CS(=O)(=O)c1ccc([O-])c(Nc2ccc(N)c([N+](=O)[O-])c2)c1 ZINC001209938313 801311073 /nfs/dbraw/zinc/31/10/73/801311073.db2.gz TYLFBRXLRIKAOX-UHFFFAOYSA-N -1 0 323.330 2.030 20 5 DEBDRM CCCSc1nc(O[C@H]2COC[C@@H]2C)c([N+](=O)[O-])c(=O)[n-]1 ZINC001229794968 801320899 /nfs/dbraw/zinc/32/08/99/801320899.db2.gz DHHUNARPRHBXDP-YUMQZZPRSA-N -1 0 315.351 2.006 20 5 DEBDRM COc1cc2c(cnn2-c2ccc([O-])c([N+](=O)[O-])c2)cc1N ZINC001210399297 801392458 /nfs/dbraw/zinc/39/24/58/801392458.db2.gz VAQUBPKQUZPSBV-UHFFFAOYSA-N -1 0 300.274 2.230 20 5 DEBDRM COc1ccncc1-c1noc(-c2ccc([N+](=O)[O-])cc2[O-])n1 ZINC001216563561 801991083 /nfs/dbraw/zinc/99/10/83/801991083.db2.gz GLXIZWIWWBBFEU-UHFFFAOYSA-N -1 0 314.257 2.421 20 5 DEBDRM COC(=O)[C@H](Cc1ccccc1)Oc1cccc([O-])c1[N+](=O)[O-] ZINC001225621069 802991205 /nfs/dbraw/zinc/99/12/05/802991205.db2.gz ATCJPDHQMBPDGX-AWEZNQCLSA-N -1 0 317.297 2.464 20 5 DEBDRM COc1ccc([C@@H](C)Oc2[n-]c(=O)ncc2[N+](=O)[O-])c(F)c1 ZINC001226335611 803092907 /nfs/dbraw/zinc/09/29/07/803092907.db2.gz JPFLQJFXUMZGLG-SSDOTTSWSA-N -1 0 309.253 2.378 20 5 DEBDRM O=c1ncc([N+](=O)[O-])c(O[C@H]2C[C@@H](OCc3ccccc3)C2)[n-]1 ZINC001226337010 803093074 /nfs/dbraw/zinc/09/30/74/803093074.db2.gz URJURTXKVHHWHX-TXEJJXNPSA-N -1 0 317.301 2.217 20 5 DEBDRM Cc1cccc(OC[C@H](C)Oc2[n-]c(=O)ncc2[N+](=O)[O-])c1 ZINC001226336980 803093262 /nfs/dbraw/zinc/09/32/62/803093262.db2.gz UOKCSVNDPDKKBD-JTQLQIEISA-N -1 0 305.290 2.245 20 5 DEBDRM C[C@H]1COCC[C@H]1Oc1[n-]c(=O)nc2ccc([N+](=O)[O-])cc21 ZINC001227094941 803200361 /nfs/dbraw/zinc/20/03/61/803200361.db2.gz LKAIKWUCVIYBCF-QPUJVOFHSA-N -1 0 305.290 2.047 20 5 DEBDRM O=c1cn[n-]c(O[C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)c1Cl ZINC001228385339 803352470 /nfs/dbraw/zinc/35/24/70/803352470.db2.gz HGYRMKJJUSGVKD-SNVBAGLBSA-N -1 0 307.693 2.290 20 5 DEBDRM C[C@@H](Oc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])C1=CC=C[CH]1 ZINC001228661921 803389107 /nfs/dbraw/zinc/38/91/07/803389107.db2.gz QYFGUMDXIJIQOU-SNVBAGLBSA-N -1 0 308.335 2.466 20 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953632075 /nfs/dbraw/zinc/63/20/75/953632075.db2.gz LDGCGGXPBUNDQW-UHFFFAOYSA-N -1 0 316.269 2.470 20 5 DEBDRM O=C([O-])[C@@H]1CC[C@@H]1C(=O)Nc1ccc([N+](=O)[O-])c2ncccc12 ZINC001594806620 953784612 /nfs/dbraw/zinc/78/46/12/953784612.db2.gz UBDIMKRGDIKJGO-DTWKUNHWSA-N -1 0 315.285 2.192 20 5 DEBDRM CC(C)[C@H](C(=O)[O-])C(=O)NC[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC001589040543 955594434 /nfs/dbraw/zinc/59/44/34/955594434.db2.gz ZWJYHEGUCBYXTD-MFKMUULPSA-N -1 0 308.334 2.171 20 5 DEBDRM C[C@H](CNC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-])C(=O)[O-] ZINC001589063712 955736403 /nfs/dbraw/zinc/73/64/03/955736403.db2.gz ARDDLJCLPSEQGN-ZCFIWIBFSA-N -1 0 320.223 2.064 20 5 DEBDRM Cn1c(Cl)cnc1COc1ccc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000037302330 957268628 /nfs/dbraw/zinc/26/86/28/957268628.db2.gz BLQPVYMFFMORFJ-UHFFFAOYSA-N -1 0 311.681 2.259 20 5 DEBDRM Cc1cc(NC(=O)N2CC[C@H](C)[C@@H](C(=O)[O-])C2)cc([N+](=O)[O-])c1 ZINC001594317685 958086693 /nfs/dbraw/zinc/08/66/93/958086693.db2.gz PPYNDYMJEXFGBR-GWCFXTLKSA-N -1 0 321.333 2.478 20 5 DEBDRM Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)[C@]1(C(=O)[O-])CC1(C)C)CC2 ZINC001594330985 958217756 /nfs/dbraw/zinc/21/77/56/958217756.db2.gz CPXSQQUFDCBVGO-INIZCTEOSA-N -1 0 318.329 2.293 20 5 DEBDRM Cc1ccc([N+](=O)[O-])c(C)c1COC(=O)[C@@H]1CC[C@H]1C(=O)[O-] ZINC001594381467 958627063 /nfs/dbraw/zinc/62/70/63/958627063.db2.gz YKDIKTOBYJDCKI-GHMZBOCLSA-N -1 0 307.302 2.366 20 5 DEBDRM C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C(=O)[O-])C(C)C ZINC001588489240 958642678 /nfs/dbraw/zinc/64/26/78/958642678.db2.gz ZCIIYTONPJTYNV-KJJQSCHISA-N -1 0 306.318 2.224 20 5 DEBDRM O=C([O-])C[C@H](NC(=O)c1c(Cl)cccc1[N+](=O)[O-])C1CC1 ZINC000137163507 958916375 /nfs/dbraw/zinc/91/63/75/958916375.db2.gz PVXJTRTUYBCQFR-VIFPVBQESA-N -1 0 312.709 2.231 20 5 DEBDRM CC(C)(C)OC(=O)CSc1ncc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000166716458 959318652 /nfs/dbraw/zinc/31/86/52/959318652.db2.gz XCHCRLAOGTXVEM-UHFFFAOYSA-N -1 0 314.319 2.122 20 5 DEBDRM Cc1nn(C)c(Nc2cccc(CCC(=O)[O-])c2)c1[N+](=O)[O-] ZINC001594483276 959642855 /nfs/dbraw/zinc/64/28/55/959642855.db2.gz JHOKGAKBHXMEFC-UHFFFAOYSA-N -1 0 304.306 2.398 20 5 DEBDRM CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC001573956730 961675496 /nfs/dbraw/zinc/67/54/96/961675496.db2.gz PNGGQPRGBXKYET-MGCOHNPYSA-N -1 0 307.306 2.142 20 5 DEBDRM C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])c2ccccc12)C(=O)[O-] ZINC001604989234 972582213 /nfs/dbraw/zinc/58/22/13/972582213.db2.gz RYFVTDSGWIIPDD-MRVPVSSYSA-N -1 0 303.274 2.343 20 5 DEBDRM CC1(C(=O)[O-])CCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC001603306716 972585777 /nfs/dbraw/zinc/58/57/77/972585777.db2.gz DNEGFUICQNTGEI-UHFFFAOYSA-N -1 0 318.333 2.158 20 5 DEBDRM Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC001605081640 972716520 /nfs/dbraw/zinc/71/65/20/972716520.db2.gz KHNPNPQSJLYFFQ-SCZZXKLOSA-N -1 0 324.308 2.225 20 5 DEBDRM Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)N(C)CCC(=O)[O-] ZINC001605172570 972879729 /nfs/dbraw/zinc/87/97/29/972879729.db2.gz GAWVOVXYQZLEDE-UHFFFAOYSA-N -1 0 315.713 2.495 20 5 DEBDRM CCC(CC)(CNC(=O)c1c(F)cccc1[N+](=O)[O-])C(=O)[O-] ZINC001603540074 973593694 /nfs/dbraw/zinc/59/36/94/973593694.db2.gz IPVUCKBFQFJGIR-UHFFFAOYSA-N -1 0 312.297 2.355 20 5 DEBDRM COCCN(CCC(=O)[O-])c1ccc2cnccc2c1[N+](=O)[O-] ZINC001604610131 973718024 /nfs/dbraw/zinc/71/80/24/973718024.db2.gz DPVYCBKTTSAQRG-UHFFFAOYSA-N -1 0 319.317 2.071 20 5 DEBDRM O=C([O-])Cn1ccc(NCc2ccc(Cl)c([N+](=O)[O-])c2)n1 ZINC001606350396 973790205 /nfs/dbraw/zinc/79/02/05/973790205.db2.gz KBWCQNWNRAHVMN-UHFFFAOYSA-N -1 0 310.697 2.141 20 5 DEBDRM CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001591672539 975436271 /nfs/dbraw/zinc/43/62/71/975436271.db2.gz XQAQMUUCZSCGKG-AOOOYVTPSA-N -1 0 321.333 2.464 20 5 DEBDRM C[C@@H](CC(=O)[O-])Sc1c2ccccc2n(C)c(=O)c1[N+](=O)[O-] ZINC001592422002 978035142 /nfs/dbraw/zinc/03/51/42/978035142.db2.gz IHTLQOYQDBFXEW-QMMMGPOBSA-N -1 0 322.342 2.402 20 5 DEBDRM CC(C)O[N-]C(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC001344493518 1150826043 /nfs/dbraw/zinc/82/60/43/1150826043.db2.gz BURWKSOXYBFDNZ-QMMMGPOBSA-N -1 0 302.714 2.472 20 5 DEBDRM CC[C@@H](COC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F)C(=O)[O-] ZINC001595177580 979777373 /nfs/dbraw/zinc/77/73/73/979777373.db2.gz SGROOJNDJVSQBD-BDAKNGLRSA-N -1 0 313.281 2.491 20 5 DEBDRM CC[C@@H](COC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC001595182847 979809837 /nfs/dbraw/zinc/80/98/37/979809837.db2.gz KZEBTEDBXHJECQ-TVYUQYBPSA-N -1 0 307.302 2.352 20 5 DEBDRM CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC1(C(=O)[O-])CCC1 ZINC001595210985 979986478 /nfs/dbraw/zinc/98/64/78/979986478.db2.gz AIMLGBIWNOGKFI-LBPRGKRZSA-N -1 0 320.345 2.287 20 5 DEBDRM CC[C@@H](Nc1nccc(C(=O)[O-])c1[N+](=O)[O-])[C@H]1CCCOC1 ZINC001595323319 980521677 /nfs/dbraw/zinc/52/16/77/980521677.db2.gz SYAUMVKHUXIINK-GXSJLCMTSA-N -1 0 309.322 2.305 20 5 DEBDRM CC[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1OC)[C@H](C)C(=O)[O-] ZINC001595348074 980643620 /nfs/dbraw/zinc/64/36/20/980643620.db2.gz IBSAEUNKKMNOLZ-GZMMTYOYSA-N -1 0 311.290 2.260 20 5 DEBDRM CC/C=C\[C@H](OC(=O)Cc1ccc(OC)c([N+](=O)[O-])c1)C(=O)[O-] ZINC001595515961 981328452 /nfs/dbraw/zinc/32/84/52/981328452.db2.gz URNIUPIZUGSERE-ZFDPJTLLSA-N -1 0 323.301 2.109 20 5 DEBDRM CCC[C@H](NC(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)C(=O)[O-] ZINC001596015620 983277152 /nfs/dbraw/zinc/27/71/52/983277152.db2.gz PEJBTISUNNCNRI-XQQFMLRXSA-N -1 0 306.318 2.068 20 5 DEBDRM CCOC1CC2(C[C@@H]2Nc2nccc(C(=O)[O-])c2[N+](=O)[O-])C1 ZINC001596851663 985581797 /nfs/dbraw/zinc/58/17/97/985581797.db2.gz YPHKWLOZGKMYCW-CFEOFWIRSA-N -1 0 307.306 2.058 20 5 DEBDRM Cc1c(-c2noc([C@H]3CC[C@@H](C(=O)[O-])O3)n2)cccc1[N+](=O)[O-] ZINC001599969999 985989243 /nfs/dbraw/zinc/98/92/43/985989243.db2.gz HBEFXLXGVZGZQY-MNOVXSKESA-N -1 0 319.273 2.258 20 5 DEBDRM C[C@@H](C(=O)N[C@H](CC1CC1)C(=O)[O-])c1ccc([N+](=O)[O-])cc1F ZINC001589385237 986474489 /nfs/dbraw/zinc/47/44/89/986474489.db2.gz 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C[C@@]1(C(=O)[O-])CCN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C1 ZINC000262090742 203195485 /nfs/dbraw/zinc/19/54/85/203195485.db2.gz AORUARCRFZFVPK-OAHLLOKOSA-N -1 0 317.301 2.013 20 5 DEBDRM CC[C@H](NC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000262187762 203224060 /nfs/dbraw/zinc/22/40/60/203224060.db2.gz RLUMDEAMQVFPJI-KCJUWKMLSA-N -1 0 312.347 2.055 20 5 DEBDRM CCC(CC)(CC(=O)[O-])NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000262255340 203242927 /nfs/dbraw/zinc/24/29/27/203242927.db2.gz YEOPZKAKHQPTCG-UHFFFAOYSA-N -1 0 323.349 2.156 20 5 DEBDRM CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@H]1CC[C@@H]1C(=O)[O-] ZINC000262222705 203234149 /nfs/dbraw/zinc/23/41/49/203234149.db2.gz URJPREZPHSNPRP-KBPBESRZSA-N -1 0 320.345 2.443 20 5 DEBDRM CC[C@@H](C)[C@@H](NC(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000263041973 203431187 /nfs/dbraw/zinc/43/11/87/203431187.db2.gz DTTRWCUDXFBQPF-AMIZOPFISA-N -1 0 324.333 2.141 20 5 DEBDRM C[C@@H](O)C[C@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000279799189 296195311 /nfs/dbraw/zinc/19/53/11/296195311.db2.gz PAVXOTOODWGARM-GHMZBOCLSA-N -1 0 308.334 2.066 20 5 DEBDRM CC(C)N(CC(=O)[O-])C(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000493265675 249264448 /nfs/dbraw/zinc/26/44/48/249264448.db2.gz WAJDFBSPNFOOOZ-XQRVVYSFSA-N -1 0 310.281 2.069 20 5 DEBDRM C[C@@H](C(=O)[O-])N(C(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-])C1CC1 ZINC000493461266 249299040 /nfs/dbraw/zinc/29/90/40/249299040.db2.gz VPJMESZOLBMQTC-HMVTZJNGSA-N -1 0 322.292 2.211 20 5 DEBDRM C[C@H](O)C[C@H]1CCCCCN1C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000287358122 299515668 /nfs/dbraw/zinc/51/56/68/299515668.db2.gz NQVZINWMQYFXRH-WCQYABFASA-N -1 0 322.361 2.456 20 5 DEBDRM C[C@@H](CNc1ccc([N+](=O)[O-])cc1Br)C(=O)[O-] ZINC000054334533 183934803 /nfs/dbraw/zinc/93/48/03/183934803.db2.gz HMAFHABZFJBEFH-LURJTMIESA-N -1 0 303.112 2.490 20 5 DEBDRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000062869956 184257565 /nfs/dbraw/zinc/25/75/65/184257565.db2.gz 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313.722 2.444 20 5 DEBDRM C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1C(=O)[O-] ZINC000111252278 401704496 /nfs/dbraw/zinc/70/44/96/401704496.db2.gz ZIELMCFUQXCDIF-XCBNKYQSSA-N -1 0 312.709 2.041 20 5 DEBDRM O=[N+]([O-])c1ccc(O)c([N-]S(=O)(=O)c2cccs2)c1 ZINC000072542825 401710459 /nfs/dbraw/zinc/71/04/59/401710459.db2.gz LHODYVRMQRJSSY-UHFFFAOYSA-N -1 0 300.317 2.163 20 5 DEBDRM O=C([O-])[C@]1(C(F)(F)F)CCN(c2ccccc2[N+](=O)[O-])C1 ZINC000113387235 401777880 /nfs/dbraw/zinc/77/78/80/401777880.db2.gz UAWDIEVYZFNRKA-NSHDSACASA-N -1 0 304.224 2.438 20 5 DEBDRM O=C(c1ccc2n[nH]nc2c1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000130332341 401827435 /nfs/dbraw/zinc/82/74/35/401827435.db2.gz BANLMAWZIOOUQU-UHFFFAOYSA-N -1 0 323.312 2.065 20 5 DEBDRM CN(c1ccccc1)S(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000032797863 401883134 /nfs/dbraw/zinc/88/31/34/401883134.db2.gz QYJZZLVVOOACEP-UHFFFAOYSA-N -1 0 308.315 2.126 20 5 DEBDRM CC[C@H](C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)[O-] ZINC000033455772 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1071518352 /nfs/dbraw/zinc/51/83/52/1071518352.db2.gz HJMKVHMUUOMDJM-GHMZBOCLSA-N -1 0 308.334 2.199 20 5 DEBDRM Cc1nn(CC(=O)[O-])c(C)c1CNc1ccc([N+](=O)[O-])c(C)c1 ZINC001607695662 1071532017 /nfs/dbraw/zinc/53/20/17/1071532017.db2.gz MRQDFQOXHOJWOL-UHFFFAOYSA-N -1 0 318.333 2.413 20 5 DEBDRM Cc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)/C=C/C(=O)[O-])cc1Cl ZINC001607708664 1071533819 /nfs/dbraw/zinc/53/38/19/1071533819.db2.gz JHVBBLMEMNCGEB-RTMURIBGSA-N -1 0 312.709 2.316 20 5 DEBDRM Cc1ccc(NC(=O)[C@H]2CC[C@@H](CCC(=O)[O-])O2)cc1[N+](=O)[O-] ZINC001607805517 1071565331 /nfs/dbraw/zinc/56/53/31/1071565331.db2.gz QUCGPCZVTHUIBO-WCQYABFASA-N -1 0 322.317 2.254 20 5 DEBDRM C[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1[O-])c1ccccn1 ZINC001453360052 1057271128 /nfs/dbraw/zinc/27/11/28/1057271128.db2.gz SPYVXGGSNXNUIK-SNVBAGLBSA-N -1 0 301.302 2.229 20 5 DEBDRM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CC[C@H](O)[C@H]2CCCC[C@H]21 ZINC001455037482 1057650194 /nfs/dbraw/zinc/65/01/94/1057650194.db2.gz 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MIMMRQQREKPSPE-UHFFFAOYSA-N -1 0 314.725 2.492 20 5 DEBDRM CCCN(CC(=O)[O-])C(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001573849444 961126455 /nfs/dbraw/zinc/12/64/55/961126455.db2.gz JWLBSXJTVZFYNM-QWHCGFSZSA-N -1 0 306.318 2.022 20 5 DEBDRM CC(C)[C@@]1(CO)CCN(c2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC001327205321 961148214 /nfs/dbraw/zinc/14/82/14/961148214.db2.gz DECZEVGJBXQBCZ-HNNXBMFYSA-N -1 0 308.334 2.138 20 5 DEBDRM O=C([O-])Cc1ccc(N2CC[C@H]3OCCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC001336354747 961962835 /nfs/dbraw/zinc/96/28/35/961962835.db2.gz MEITUKUQKCQVHC-SWLSCSKDSA-N -1 0 320.345 2.227 20 5 DEBDRM O=C([O-])C1(NC(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)CCCC1 ZINC001574549815 961972545 /nfs/dbraw/zinc/97/25/45/961972545.db2.gz WMTIXYLZYJJBBG-QWHCGFSZSA-N -1 0 318.329 2.212 20 5 DEBDRM O=C([O-])[C@@H](C(=O)NCCc1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC001574615922 962217358 /nfs/dbraw/zinc/21/73/58/962217358.db2.gz BUDZDSBWYURWMD-CQSZACIVSA-N -1 0 320.345 2.145 20 5 DEBDRM Cc1cc(N2CCC[C@](C)(CO)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC001346104782 962319886 /nfs/dbraw/zinc/31/98/86/962319886.db2.gz IEXQIGAKKUTFAO-HNNXBMFYSA-N -1 0 308.334 2.200 20 5 DEBDRM Cc1ccc([N+](=O)[O-])c(C)c1COC(=O)[C@H](C(=O)[O-])C1CC1 ZINC001605309743 973128244 /nfs/dbraw/zinc/12/82/44/973128244.db2.gz JWKUIBCVISXTMJ-ZDUSSCGKSA-N -1 0 307.302 2.366 20 5 DEBDRM O=C([O-])CN(Cc1nc2cc([N+](=O)[O-])ccc2o1)C1CCC1 ZINC001606229602 973486985 /nfs/dbraw/zinc/48/69/85/973486985.db2.gz PLTLJOXREKGZIX-UHFFFAOYSA-N -1 0 305.290 2.175 20 5 DEBDRM CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)CCC(=O)[O-] ZINC001603575641 973723643 /nfs/dbraw/zinc/72/36/43/973723643.db2.gz ZNKWCYYVSHXUKU-LBPRGKRZSA-N -1 0 308.334 2.097 20 5 DEBDRM O=C([O-])[C@@H]1CCCN(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)C1 ZINC001606376390 973829152 /nfs/dbraw/zinc/82/91/52/973829152.db2.gz KYJUYVNSKSKHFQ-MRVPVSSYSA-N -1 0 311.269 2.062 20 5 DEBDRM Nc1ccc(N2Cc3ccccc3[C@H](C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC001605654795 974038693 /nfs/dbraw/zinc/03/86/93/974038693.db2.gz QQIUIZCVZFOJNK-CYBMUJFWSA-N -1 0 313.313 2.365 20 5 DEBDRM CC(C)OC(=O)[C@@H](C)CNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC001591679399 975471632 /nfs/dbraw/zinc/47/16/32/975471632.db2.gz ZRNWUVYEORXPKE-JTQLQIEISA-N -1 0 324.333 2.222 20 5 DEBDRM CC(C)OC(=O)[C@H](C)CNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC001591679400 975471674 /nfs/dbraw/zinc/47/16/74/975471674.db2.gz ZRNWUVYEORXPKE-SNVBAGLBSA-N -1 0 324.333 2.222 20 5 DEBDRM C[C@H](CC(=O)[O-])c1nnc(COc2ccccc2[N+](=O)[O-])o1 ZINC001592424488 978045985 /nfs/dbraw/zinc/04/59/85/978045985.db2.gz SZOWODNLTPTVRM-MRVPVSSYSA-N -1 0 307.262 2.135 20 5 DEBDRM CC[C@@](CNc1c([N+](=O)[O-])ncn1C)(C(=O)[O-])c1ccccc1 ZINC001595172648 979744289 /nfs/dbraw/zinc/74/42/89/979744289.db2.gz KMBBHSWPWQFKRD-HNNXBMFYSA-N -1 0 318.333 2.173 20 5 DEBDRM CC[C@@H](COC(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1)C(=O)[O-] ZINC001595181072 979793634 /nfs/dbraw/zinc/79/36/34/979793634.db2.gz CIDSEHFLGPAUHP-VIFPVBQESA-N -1 0 311.290 2.179 20 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ZINC001595587169 981539332 /nfs/dbraw/zinc/53/93/32/981539332.db2.gz DFQDDIQWFUTMCN-NSHDSACASA-N -1 0 323.349 2.400 20 5 DEBDRM CC[C@@](C)(NC(=O)c1cc([N+](=O)[O-])ccc1SC)C(=O)[O-] ZINC001594842712 982064217 /nfs/dbraw/zinc/06/42/17/982064217.db2.gz VDMYGYQSRXQWRR-CYBMUJFWSA-N -1 0 312.347 2.300 20 5 DEBDRM CCN(CCC(=O)[O-])C(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC001596304078 983731036 /nfs/dbraw/zinc/73/10/36/983731036.db2.gz OSRMAFONNUNTOZ-UHFFFAOYSA-N -1 0 308.334 2.196 20 5 DEBDRM CCOC(=O)c1cc([N+](=O)[O-])c(N[C@H](C)CC(=O)[O-])cc1C ZINC001596713472 984934496 /nfs/dbraw/zinc/93/44/96/984934496.db2.gz BKWBTWGEBKKQQS-SECBINFHSA-N -1 0 310.306 2.355 20 5 DEBDRM C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC001589002966 984949251 /nfs/dbraw/zinc/94/92/51/984949251.db2.gz SGUMSLHYCRSRFT-HGPCXVNDSA-N -1 0 318.329 2.321 20 5 DEBDRM C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NCC(C)(C)C(=O)[O-] ZINC001589003305 984951480 /nfs/dbraw/zinc/95/14/80/984951480.db2.gz XORXCIHWDALXGJ-CSKARUKUSA-N -1 0 306.318 2.225 20 5 DEBDRM C[C@@H](C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1)n1cccc1 ZINC001589429801 986712336 /nfs/dbraw/zinc/71/23/36/986712336.db2.gz QGYDABIFDDCKIF-VIFPVBQESA-N -1 0 303.274 2.294 20 5 DEBDRM CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC1(CC(=O)[O-])CC1 ZINC001597143012 986895371 /nfs/dbraw/zinc/89/53/71/986895371.db2.gz QPVOXAZGGGGDMC-UHFFFAOYSA-N -1 0 323.305 2.122 20 5 DEBDRM CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)/C=C\C(=O)[O-] ZINC001597273393 987328254 /nfs/dbraw/zinc/32/82/54/987328254.db2.gz UAOQIYVCSPQLMY-WQAKUFEDSA-N -1 0 324.358 2.466 20 5 DEBDRM CSc1cccc(C(=O)N2CC[C@@](C)(C(=O)[O-])C2)c1[N+](=O)[O-] ZINC001599822438 988538462 /nfs/dbraw/zinc/53/84/62/988538462.db2.gz RCYAIKQTWSLNMU-CQSZACIVSA-N -1 0 324.358 2.254 20 5 DEBDRM CSc1cccc(C(=O)N2CC[C@H](C(=O)[O-])[C@H]2C)c1[N+](=O)[O-] ZINC001599822926 988545473 /nfs/dbraw/zinc/54/54/73/988545473.db2.gz ZDBLKNDXUWVNGI-BDAKNGLRSA-N -1 0 324.358 2.252 20 5 DEBDRM CCc1cnc(NC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)o1 ZINC001597632577 988604482 /nfs/dbraw/zinc/60/44/82/988604482.db2.gz XKUAILIFOAQEMW-UHFFFAOYSA-N -1 0 305.246 2.096 20 5 DEBDRM CCc1nc(C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2C)co1 ZINC001597651502 988691104 /nfs/dbraw/zinc/69/11/04/988691104.db2.gz QKXMNFYSKTXTME-UHFFFAOYSA-N -1 0 319.273 2.404 20 5 DEBDRM C[C@@H](NC(=O)c1ccoc1CC(=O)[O-])c1ccc([N+](=O)[O-])cc1 ZINC001599840862 988826765 /nfs/dbraw/zinc/82/67/65/988826765.db2.gz OLMJVGDZSBXRTN-SECBINFHSA-N -1 0 318.285 2.306 20 5 DEBDRM CC(C)(CCC(=O)Nc1ccc(F)c(C(=O)[O-])c1F)[N+](=O)[O-] ZINC001590657795 990356683 /nfs/dbraw/zinc/35/66/83/990356683.db2.gz CDPCPQQHAANEBW-UHFFFAOYSA-N -1 0 316.260 2.437 20 5 DEBDRM CC(C)(CCC(=O)O[C@@H](C(=O)[O-])c1ccsc1)[N+](=O)[O-] ZINC001590665364 990366657 /nfs/dbraw/zinc/36/66/57/990366657.db2.gz KXWHOZUWPCBEOM-SNVBAGLBSA-N -1 0 301.320 2.253 20 5 DEBDRM CC(C)[C@@H](Nc1nccc(C(=O)[O-])c1[N+](=O)[O-])c1cnn(C)c1 ZINC001591036159 991361523 /nfs/dbraw/zinc/36/15/23/991361523.db2.gz PQIDIDYGGTYRHJ-LLVKDONJSA-N -1 0 319.321 2.231 20 5 DEBDRM CN(C[C@H](O)C1CC1)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1Cl ZINC001598432906 991806888 /nfs/dbraw/zinc/80/68/88/991806888.db2.gz PCNINEMRDRFQRJ-JTQLQIEISA-N -1 0 314.725 2.154 20 5 DEBDRM C[C@H](NC(=O)c1ccc(C(=O)[O-])[nH]1)c1cccc([N+](=O)[O-])c1 ZINC001593157005 993981506 /nfs/dbraw/zinc/98/15/06/993981506.db2.gz RUCOAVYMCXSGTG-QMMMGPOBSA-N -1 0 303.274 2.112 20 5 DEBDRM C[C@](O)(CNc1ncc(C(=O)[O-])cc1[N+](=O)[O-])c1cccs1 ZINC001593417642 995206818 /nfs/dbraw/zinc/20/68/18/995206818.db2.gz XXERGFNITCYACY-ZDUSSCGKSA-N -1 0 323.330 2.069 20 5 DEBDRM CC1(C)CC[C@@H](C(=O)OCc2cc(C(=O)[O-])ccc2[N+](=O)[O-])O1 ZINC001593874612 996691283 /nfs/dbraw/zinc/69/12/83/996691283.db2.gz OFZUFKOGLZHBRU-LBPRGKRZSA-N -1 0 323.301 2.294 20 5 DEBDRM COC[C@@]1(C(=O)[O-])CCCN1c1cc(C)c([N+](=O)[O-])cc1F ZINC001599194512 997190083 /nfs/dbraw/zinc/19/00/83/997190083.db2.gz IKZUKSQGLPCXOK-CQSZACIVSA-N -1 0 312.297 2.112 20 5 DEBDRM CO[C@H]1C[C@@H]([NH2+]Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C12CCC2 ZINC001599095780 997278046 /nfs/dbraw/zinc/27/80/46/997278046.db2.gz GWQHDKAAYVNWKZ-KGLIPLIRSA-N -1 0 320.345 2.340 20 5 DEBDRM COC(=O)c1cc(C)nc(S[C@H](C)CC(=O)[O-])c1[N+](=O)[O-] ZINC001598928800 997701959 /nfs/dbraw/zinc/70/19/59/997701959.db2.gz YGXFLOOUMMZLDL-SSDOTTSWSA-N -1 0 314.319 2.040 20 5 DEBDRM COC[C@@H](CNc1nc(C)cc(C(=O)[O-])c1[N+](=O)[O-])C(C)C ZINC001599167123 998559115 /nfs/dbraw/zinc/55/91/15/998559115.db2.gz UDFDOBQWKFFOLX-SNVBAGLBSA-N -1 0 311.338 2.327 20 5 DEBDRM C[C@H]1CC2(CN1c1ncc(C(=O)[O-])cc1[N+](=O)[O-])CCOCC2 ZINC001594286121 999108060 /nfs/dbraw/zinc/10/80/60/999108060.db2.gz RQHBLTRWYMPXOM-JTQLQIEISA-N -1 0 321.333 2.083 20 5 DEBDRM C[C@@H]1CCC[C@@H](C)N1NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001594345648 999308564 /nfs/dbraw/zinc/30/85/64/999308564.db2.gz XVPKBUPFQXCPBX-NXEZZACHSA-N -1 0 321.333 2.201 20 5 DEBDRM C[C@@H]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)[C@H](C(=O)[O-])C1 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320.301 2.182 20 5 DEBDRM O=C(NCC1(O)CCCCCC1)c1cccc([N+](=O)[O-])c1[O-] ZINC000130514836 401834602 /nfs/dbraw/zinc/83/46/02/401834602.db2.gz RHYJDHOOMFYXJE-UHFFFAOYSA-N -1 0 308.334 2.116 20 5 DEBDRM C[NH+](C)Cc1ccnc(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1 ZINC000119133778 401927622 /nfs/dbraw/zinc/92/76/22/401927622.db2.gz QDUAGXHWEWALKM-UHFFFAOYSA-N -1 0 316.317 2.009 20 5 DEBDRM CC(C)N(CC(=O)[O-])C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000135273099 401932935 /nfs/dbraw/zinc/93/29/35/401932935.db2.gz KYWVBLIJONCSFM-UHFFFAOYSA-N -1 0 300.698 2.183 20 5 DEBDRM Cc1n[nH]c(C)c1[N-]S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000036736373 401907147 /nfs/dbraw/zinc/90/71/47/401907147.db2.gz BYIHPUMZQALVSX-UHFFFAOYSA-N -1 0 310.335 2.044 20 5 DEBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])[C@@H]1Cc2cc(F)ccc2O1 ZINC000089531749 401951294 /nfs/dbraw/zinc/95/12/94/401951294.db2.gz JIEBJWULLAIAGV-AWEZNQCLSA-N -1 0 318.260 2.382 20 5 DEBDRM COCc1nc(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])cs1 ZINC000089531721 401951424 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DEBDRM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2cccnc2)c1C ZINC000070825867 402265271 /nfs/dbraw/zinc/26/52/71/402265271.db2.gz CFWGFWBVJHNZFJ-UHFFFAOYSA-N -1 0 307.331 2.407 20 5 DEBDRM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CCC[C@H](c2cc[nH]n2)C1 ZINC000184702328 402293104 /nfs/dbraw/zinc/29/31/04/402293104.db2.gz GHUMFHMWNQMHFT-JTQLQIEISA-N -1 0 316.317 2.043 20 5 DEBDRM C[C@@H](Cc1ccc(O)cc1)NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000158249066 402303955 /nfs/dbraw/zinc/30/39/55/402303955.db2.gz BVFMXUIKJXUYPB-JTQLQIEISA-N -1 0 316.313 2.367 20 5 DEBDRM CC(C)(C)c1ccc(C(=O)N2CC[C@@H](C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000236575561 402366670 /nfs/dbraw/zinc/36/66/70/402366670.db2.gz SHYUFPVONWANBD-LLVKDONJSA-N -1 0 320.345 2.439 20 5 DEBDRM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)n1 ZINC000185716725 402371430 /nfs/dbraw/zinc/37/14/30/402371430.db2.gz FHKILMCAFFGEJA-UHFFFAOYSA-N -1 0 322.346 2.111 20 5 DEBDRM CCO[C@@H]1CCCC[C@H]1NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000456962780 286205134 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O=C(Nc1cnc(C2CC2)nc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000179479488 402591303 /nfs/dbraw/zinc/59/13/03/402591303.db2.gz GJHQMZBLJZCDNG-UHFFFAOYSA-N -1 0 300.274 2.220 20 5 DEBDRM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CCOc2cc(F)ccc21 ZINC000179507410 402592876 /nfs/dbraw/zinc/59/28/76/402592876.db2.gz UDZHKSCTSCPRPC-UHFFFAOYSA-N -1 0 318.260 2.479 20 5 DEBDRM O=C([O-])C1CCC(C(=O)NCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000171790146 402622551 /nfs/dbraw/zinc/62/25/51/402622551.db2.gz BZHGVTAMPNUBMG-UHFFFAOYSA-N -1 0 320.345 2.145 20 5 DEBDRM C[C@H](NC(=O)N1CCC(C(=O)[O-])CC1)c1ccc([N+](=O)[O-])cc1 ZINC000263344997 402760533 /nfs/dbraw/zinc/76/05/33/402760533.db2.gz GKCCFURUDWSHCT-JTQLQIEISA-N -1 0 321.333 2.162 20 5 DEBDRM C[C@@H](NC(=O)CCCNc1ccc([N+](=O)[O-])cc1)[C@@H](C)C(=O)[O-] ZINC000263406175 402766830 /nfs/dbraw/zinc/76/68/30/402766830.db2.gz GEACTNUZEIJFNB-GHMZBOCLSA-N -1 0 323.349 2.012 20 5 DEBDRM C[C@@]1(C(=O)[O-])CCN(c2nccc3cc([N+](=O)[O-])ccc32)C1 ZINC000263419296 402767826 /nfs/dbraw/zinc/76/78/26/402767826.db2.gz OXSZDTUFDNXXRR-OAHLLOKOSA-N -1 0 301.302 2.444 20 5 DEBDRM O=C([O-])c1cccc(C(=O)NCCc2ccc([N+](=O)[O-])cc2)c1 ZINC000194417113 402796494 /nfs/dbraw/zinc/79/64/94/402796494.db2.gz BTRRDIHPYMAKNR-UHFFFAOYSA-N -1 0 314.297 2.266 20 5 DEBDRM C[C@H](O)C[C@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000279121852 402906456 /nfs/dbraw/zinc/90/64/56/402906456.db2.gz AFUVKJWFCYPJSW-WDEREUQCSA-N -1 0 308.334 2.066 20 5 DEBDRM CCCc1cc(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)n(C)n1 ZINC000272493232 402944113 /nfs/dbraw/zinc/94/41/13/402944113.db2.gz CNHQZSGNOGVGGT-UHFFFAOYSA-N -1 0 304.306 2.239 20 5 DEBDRM C[C@@H]1C[C@@H]1c1cc(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)n[nH]1 ZINC000272508207 402945993 /nfs/dbraw/zinc/94/59/93/402945993.db2.gz JPNSWEQUYBQJRL-HQJQHLMTSA-N -1 0 302.290 2.399 20 5 DEBDRM COC(=O)C[C@@H](C)C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000273625866 403020933 /nfs/dbraw/zinc/02/09/33/403020933.db2.gz RWILZIJWWFRPCX-ZCFIWIBFSA-N -1 0 316.697 2.092 20 5 DEBDRM O=C(NC[C@@H]1CCC(F)(F)C1)c1cccc([N+](=O)[O-])c1[O-] ZINC000281686081 403081932 /nfs/dbraw/zinc/08/19/32/403081932.db2.gz GCOAWRYOVAZTHZ-MRVPVSSYSA-N -1 0 300.261 2.466 20 5 DEBDRM CO[C@]1(C)C[C@H](NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)C1(C)C ZINC000269259782 403125422 /nfs/dbraw/zinc/12/54/22/403125422.db2.gz ARVWEARDUXFISY-SWLSCSKDSA-N -1 0 308.334 2.234 20 5 DEBDRM CC(C)(CNc1nc(C(=O)[O-])ccc1[N+](=O)[O-])C1(O)CCCC1 ZINC000566740114 292265218 /nfs/dbraw/zinc/26/52/18/292265218.db2.gz OFQKMYUIDGIUQP-UHFFFAOYSA-N -1 0 323.349 2.431 20 5 DEBDRM CC1(C)CN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)CC(C)(C)O1 ZINC000276039980 403141311 /nfs/dbraw/zinc/14/13/11/403141311.db2.gz VZOFGYWKRYVCAB-UHFFFAOYSA-N -1 0 308.334 2.330 20 5 DEBDRM C[C@@]1(CNC(=O)c2cc([O-])cc([N+](=O)[O-])c2)CCO[C@H]1C1CC1 ZINC000345472096 403346254 /nfs/dbraw/zinc/34/62/54/403346254.db2.gz HQLGFFVERDRIDR-HOCLYGCPSA-N -1 0 320.345 2.235 20 5 DEBDRM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CCOC[C@@H](C2CCC2)C1 ZINC000293644772 403527687 /nfs/dbraw/zinc/52/76/87/403527687.db2.gz GKMFNOKNNXXYJV-LBPRGKRZSA-N -1 0 320.345 2.189 20 5 DEBDRM COc1ccc(S(=O)(=O)[N-]c2cccnc2C)cc1[N+](=O)[O-] ZINC000343560470 403638184 /nfs/dbraw/zinc/63/81/84/403638184.db2.gz YSEUFHHPBDHSBM-UHFFFAOYSA-N -1 0 323.330 2.108 20 5 DEBDRM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1C[C@]2(CCCO2)[C@H]1C1CC1 ZINC000294702507 403725798 /nfs/dbraw/zinc/72/57/98/403725798.db2.gz GQQUEQCGJSOXLI-GDBMZVCRSA-N -1 0 318.329 2.084 20 5 DEBDRM CCO[C@@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2[O-])C12CCC2 ZINC000436873291 286380896 /nfs/dbraw/zinc/38/08/96/286380896.db2.gz ZRLJTDIVSWTSAH-UONOGXRCSA-N -1 0 320.345 2.378 20 5 DEBDRM CSc1ccc(C(=O)N2C[C@H](C(=O)[O-])[C@H](C)C2)cc1[N+](=O)[O-] ZINC000315459208 404011277 /nfs/dbraw/zinc/01/12/77/404011277.db2.gz RTRMCICUJGMJQC-SCZZXKLOSA-N -1 0 324.358 2.109 20 5 DEBDRM CC(C)C[C@@H](CNC(=O)c1ccc(F)cc1[N+](=O)[O-])C(=O)[O-] ZINC000317615956 404037921 /nfs/dbraw/zinc/03/79/21/404037921.db2.gz VRVBUSZDTPIPEJ-VIFPVBQESA-N -1 0 312.297 2.211 20 5 DEBDRM C[C@@]1(C(=O)[O-])CCCN(C(=O)/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000320539406 404067301 /nfs/dbraw/zinc/06/73/01/404067301.db2.gz KGNANXRWMYTUNV-XITLMJRVSA-N -1 0 318.329 2.321 20 5 DEBDRM COc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccsc1 ZINC000349947894 404268962 /nfs/dbraw/zinc/26/89/62/404268962.db2.gz NWQPSZWKEQGDLX-UHFFFAOYSA-N -1 0 314.344 2.466 20 5 DEBDRM O=[N+]([O-])c1ccc([O-])cc1CN1CCC(O)(C(F)(F)F)CC1 ZINC000330457988 404665464 /nfs/dbraw/zinc/66/54/64/404665464.db2.gz RCTZWGXUDWHXIU-UHFFFAOYSA-N -1 0 320.267 2.190 20 5 DEBDRM C[C@H](NC(=O)N(C)CCCC(=O)[O-])c1ccccc1[N+](=O)[O-] ZINC000414645577 404699721 /nfs/dbraw/zinc/69/97/21/404699721.db2.gz QKZJDRARAOPTJK-JTQLQIEISA-N -1 0 309.322 2.162 20 5 DEBDRM COc1ccc(CNC(=O)c2ccc(F)cc2[O-])cc1[N+](=O)[O-] ZINC000436541434 405098606 /nfs/dbraw/zinc/09/86/06/405098606.db2.gz VCGJBZXISDTSTQ-UHFFFAOYSA-N -1 0 320.276 2.378 20 5 DEBDRM COC(=O)Cc1ccc(NCCC(C)(C)C(=O)[O-])c([N+](=O)[O-])c1 ZINC000424371831 405076203 /nfs/dbraw/zinc/07/62/03/405076203.db2.gz GUBXXUVKJLBAEF-UHFFFAOYSA-N -1 0 324.333 2.223 20 5 DEBDRM COc1ccc(O)c(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])c1 ZINC000436903930 405158832 /nfs/dbraw/zinc/15/88/32/405158832.db2.gz XRMRLELXIXSOJQ-UHFFFAOYSA-N -1 0 304.258 2.267 20 5 DEBDRM CCc1cnccc1CNC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436977731 405171814 /nfs/dbraw/zinc/17/18/14/405171814.db2.gz FLBFBLIGCWAJSH-UHFFFAOYSA-N -1 0 301.302 2.188 20 5 DEBDRM Cc1cc(S(=O)(=O)[N-]C(=O)/C=C/C2CCC2)ccc1[N+](=O)[O-] ZINC000492055438 405471615 /nfs/dbraw/zinc/47/16/15/405471615.db2.gz CYVWYFATBVMWCI-VMPITWQZSA-N -1 0 324.358 2.064 20 5 DEBDRM Cc1ccc([C@@H](C)NC(=O)[C@H](C(=O)[O-])C(C)C)cc1[N+](=O)[O-] ZINC000582363116 405715330 /nfs/dbraw/zinc/71/53/30/405715330.db2.gz IXCROXSKJKXZCV-ZWNOBZJWSA-N -1 0 308.334 2.437 20 5 DEBDRM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccccc1O ZINC000433811359 405986334 /nfs/dbraw/zinc/98/63/34/405986334.db2.gz PLGCVEWQAUBZEP-UHFFFAOYSA-N -1 0 324.314 2.110 20 5 DEBDRM Cc1cc(N2CCO[C@H]3CCC[C@H]32)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000565604749 406075269 /nfs/dbraw/zinc/07/52/69/406075269.db2.gz WZZWXCJPXAVDCY-OLZOCXBDSA-N -1 0 306.318 2.359 20 5 DEBDRM CC(C)Oc1nc(N2CC[C@H](C)[C@@H](C(=O)[O-])C2)ccc1[N+](=O)[O-] ZINC000569471037 406259887 /nfs/dbraw/zinc/25/98/87/406259887.db2.gz FPLHFYFZNGAUSE-QWRGUYRKSA-N -1 0 323.349 2.324 20 5 DEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N2CCC[C@@H]2c2cccnc2)n1 ZINC000570048026 292460032 /nfs/dbraw/zinc/46/00/32/292460032.db2.gz DMYAQILDXPCESM-GFCCVEGCSA-N -1 0 314.301 2.425 20 5 DEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N[C@@H]2[C@H]3CCO[C@@H]3C2(C)C)n1 ZINC000571288259 292539838 /nfs/dbraw/zinc/53/98/38/292539838.db2.gz VXWCYPNXSIJRAP-FXAINCCUSA-N -1 0 321.333 2.222 20 5 DEBDRM C[C@@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])[C@H](C)C(=O)[O-] ZINC000132492433 196259699 /nfs/dbraw/zinc/25/96/99/196259699.db2.gz OMYBWKMEURVNNK-NKWVEPMBSA-N -1 0 300.698 2.087 20 5 DEBDRM CO[C@H]1C[C@H](Nc2nc(C)cc(C(=O)[O-])c2[N+](=O)[O-])C12CCC2 ZINC000571687612 292566360 /nfs/dbraw/zinc/56/63/60/292566360.db2.gz JUPRLBIJDWGBHC-QWRGUYRKSA-N -1 0 321.333 2.366 20 5 DEBDRM O=C(N[C@@H]1CCCC12CCOCC2)c1cccc([N+](=O)[O-])c1[O-] ZINC000282538905 424890900 /nfs/dbraw/zinc/89/09/00/424890900.db2.gz PWAZVNLEGXIQRP-CYBMUJFWSA-N -1 0 320.345 2.380 20 5 DEBDRM CS[C@H]1CCCCN(c2nccc(C(=O)[O-])c2[N+](=O)[O-])C1 ZINC000514604989 269324318 /nfs/dbraw/zinc/32/43/18/269324318.db2.gz JVLWHBXQFYDREW-VIFPVBQESA-N -1 0 311.363 2.410 20 5 DEBDRM O=C([O-])c1cc(N2CCC[C@@H]2[C@H]2CCC[C@@H]2O)ccc1[N+](=O)[O-] ZINC000515850747 269354256 /nfs/dbraw/zinc/35/42/56/269354256.db2.gz HLLVEINQRLQMBE-KYOSRNDESA-N -1 0 320.345 2.423 20 5 DEBDRM CC(C)(C)Oc1cc(N2CCO[C@@H](C(=O)[O-])C2)ccc1[N+](=O)[O-] ZINC000517378671 269384172 /nfs/dbraw/zinc/38/41/72/269384172.db2.gz SNSARHKWGUPIDQ-CYBMUJFWSA-N -1 0 324.333 2.062 20 5 DEBDRM CC(C)C[C@@H](NC(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-])C(=O)[O-] ZINC000492159329 278996624 /nfs/dbraw/zinc/99/66/24/278996624.db2.gz YJNGXJKZVMFERY-TXNVCOODSA-N -1 0 324.308 2.363 20 5 DEBDRM CC[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])C[C@H](CC)O1 ZINC000421968056 288272887 /nfs/dbraw/zinc/27/28/87/288272887.db2.gz HIPCJJWBQKDDNR-RYUDHWBXSA-N -1 0 308.334 2.330 20 5 DEBDRM CC1(C)CN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)[C@H]1[C@H]1CCCO1 ZINC000290478987 281221852 /nfs/dbraw/zinc/22/18/52/281221852.db2.gz DPCYLLARJCMEDY-KGLIPLIRSA-N -1 0 320.345 2.330 20 5 DEBDRM COc1ccccc1CNC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000130289411 281936075 /nfs/dbraw/zinc/93/60/75/281936075.db2.gz OPVKVOPANUKJMA-UHFFFAOYSA-N -1 0 302.286 2.239 20 5 DEBDRM C[C@H](C(=O)[O-])N(C)C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000262085170 298210664 /nfs/dbraw/zinc/21/06/64/298210664.db2.gz FSCWCIORIOATMC-SECBINFHSA-N -1 0 308.334 2.437 20 5 DEBDRM C[C@H]1N(C(=O)c2cc([N+](=O)[O-])ccc2[O-])CCC12CCOCC2 ZINC000369429631 300559255 /nfs/dbraw/zinc/55/92/55/300559255.db2.gz WQGKTJMKAGZYMG-LLVKDONJSA-N -1 0 320.345 2.332 20 5 DEBDRM Cc1cc(C(=O)N2CCC[C@H](C)[C@@H]2C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000336861855 301097437 /nfs/dbraw/zinc/09/74/37/301097437.db2.gz FYFTXXRRWUJBDV-GXFFZTMASA-N -1 0 306.318 2.229 20 5 DEBDRM CC(C)[C@@H]1CN(c2ncc(C(=O)[O-])cc2[N+](=O)[O-])CCS1 ZINC000567978788 325892127 /nfs/dbraw/zinc/89/21/27/325892127.db2.gz RSDLNSFIKWRVDA-NSHDSACASA-N -1 0 311.363 2.266 20 5 DEBDRM O=C([O-])c1cc(N2CCOC3(CCCC3)C2)ccc1[N+](=O)[O-] ZINC000573729172 326086497 /nfs/dbraw/zinc/08/64/97/326086497.db2.gz QAVNWGQDANBKME-UHFFFAOYSA-N -1 0 306.318 2.442 20 5 DEBDRM CCc1ncsc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000575462466 326239797 /nfs/dbraw/zinc/23/97/97/326239797.db2.gz SYMHUKUVYYJPSK-UHFFFAOYSA-N -1 0 313.360 2.415 20 5 DEBDRM C/C=C\C[C@@H](NC(=O)c1cc(SC)ccc1[N+](=O)[O-])C(=O)[O-] ZINC000577259271 326353153 /nfs/dbraw/zinc/35/31/53/326353153.db2.gz YXNSDXKLOYFQCX-DLRQAJBASA-N -1 0 324.358 2.466 20 5 DEBDRM CCOC[C@H]1CCCN(c2nc(C)cc(C(=O)[O-])c2[N+](=O)[O-])C1 ZINC000580315812 333103518 /nfs/dbraw/zinc/10/35/18/333103518.db2.gz OZJFTZJGZBGCBU-NSHDSACASA-N -1 0 323.349 2.249 20 5 DEBDRM CC(C)(CNc1nc(C(=O)[O-])ccc1[N+](=O)[O-])OCC1CC1 ZINC000582728080 337126207 /nfs/dbraw/zinc/12/62/07/337126207.db2.gz VHFOKVBKYTVZOF-UHFFFAOYSA-N -1 0 309.322 2.305 20 5 DEBDRM COC(=O)c1ccc([N+](=O)[O-])c(N2CCC[C@@H](CC(=O)[O-])C2)c1 ZINC000582893665 337212014 /nfs/dbraw/zinc/21/20/14/337212014.db2.gz CLESEDYOIMXLQV-JTQLQIEISA-N -1 0 322.317 2.073 20 5 DEBDRM C[C@]1(C(=O)[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CC=CCC1 ZINC000835027923 649868872 /nfs/dbraw/zinc/86/88/72/649868872.db2.gz HGTZOSHPKZXOAM-AWEZNQCLSA-N -1 0 324.358 2.146 20 5 DEBDRM Cc1nc([C@@H]2CCCN2Cc2cc([O-])ccc2[N+](=O)[O-])no1 ZINC000331793209 534573480 /nfs/dbraw/zinc/57/34/80/534573480.db2.gz HJCVWZVAGRMGRV-ZDUSSCGKSA-N -1 0 304.306 2.329 20 5 DEBDRM CCc1nc(CCNC(=O)c2ccc([N+](=O)[O-])cc2[O-])cs1 ZINC000157741407 522279691 /nfs/dbraw/zinc/27/96/91/522279691.db2.gz ZGJFWMAPHOWHKF-UHFFFAOYSA-N -1 0 321.358 2.292 20 5 DEBDRM 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ZINC001594263953 959727879 /nfs/dbraw/zinc/72/78/79/959727879.db2.gz BJBNIKLCONMYEP-WDEREUQCSA-N -1 0 322.317 2.112 20 5 DEBDRM Cc1c(NC(=O)[C@H]2CO[C@@H](CCC(=O)[O-])C2)cccc1[N+](=O)[O-] ZINC001594263949 959728579 /nfs/dbraw/zinc/72/85/79/959728579.db2.gz BJBNIKLCONMYEP-MNOVXSKESA-N -1 0 322.317 2.112 20 5 DEBDRM C[C@@H]1CN(c2c(Cl)cc([N+](=O)[O-])cc2C(=O)[O-])CCO1 ZINC000226858793 959903670 /nfs/dbraw/zinc/90/36/70/959903670.db2.gz NXHPNOZRKQWYAJ-SSDOTTSWSA-N -1 0 300.698 2.172 20 5 DEBDRM CO[C@@H]1CCN(c2c(Cl)cc([N+](=O)[O-])cc2C(=O)[O-])C1 ZINC000226899782 959911522 /nfs/dbraw/zinc/91/15/22/959911522.db2.gz HMAMQTNWMYNPPW-MRVPVSSYSA-N -1 0 300.698 2.172 20 5 DEBDRM CC(C)(CNC(=O)c1cccc([N+](=O)[O-])c1Cl)C(=O)[O-] ZINC000232516922 960279152 /nfs/dbraw/zinc/27/91/52/960279152.db2.gz WYQNIUGCYDMPNE-UHFFFAOYSA-N -1 0 300.698 2.089 20 5 DEBDRM Nc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000255188819 961323894 /nfs/dbraw/zinc/32/38/94/961323894.db2.gz LVEUUPYORMXIAD-UHFFFAOYSA-N -1 0 315.285 2.056 20 5 DEBDRM Cc1cc(N2CCC[C@@](C)(CO)C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC001332519516 961588241 /nfs/dbraw/zinc/58/82/41/961588241.db2.gz IFQKBQWFDPMJAU-OAHLLOKOSA-N -1 0 308.334 2.200 20 5 DEBDRM O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001574587920 962116925 /nfs/dbraw/zinc/11/69/25/962116925.db2.gz LTOZZVCEJMPLKQ-RQJABVFESA-N -1 0 318.329 2.068 20 5 DEBDRM COc1cc(CN2CCC[C@@H](C(=O)[O-])C2)c([N+](=O)[O-])cc1F ZINC001574185498 962828705 /nfs/dbraw/zinc/82/87/05/962828705.db2.gz UHVPBSSPXOJNPI-SECBINFHSA-N -1 0 312.297 2.039 20 5 DEBDRM CC1(C(=O)[O-])CCN(C(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC001603301245 972577099 /nfs/dbraw/zinc/57/70/99/972577099.db2.gz LGNKRHCJDJUXKK-UHFFFAOYSA-N -1 0 310.281 2.061 20 5 DEBDRM Cc1ccc([C@@H](C)NC(=O)N[C@@H](C)CC(=O)[O-])cc1[N+](=O)[O-] ZINC001605256561 973028406 /nfs/dbraw/zinc/02/84/06/973028406.db2.gz XDSMZDYAQXMOIH-VHSXEESVSA-N -1 0 309.322 2.127 20 5 DEBDRM COc1cc([N+](=O)[O-])ccc1COC(=O)C1(C(=O)[O-])CC=CC1 ZINC001604738939 973947186 /nfs/dbraw/zinc/94/71/86/973947186.db2.gz GTSUZMGVXUPLCQ-UHFFFAOYSA-N -1 0 321.285 2.068 20 5 DEBDRM CC[C@@H](NC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC001603906537 974407478 /nfs/dbraw/zinc/40/74/78/974407478.db2.gz IYXJLNPEYFDMAM-MRVPVSSYSA-N -1 0 300.698 2.150 20 5 DEBDRM O=C([O-])c1cc([N+](=O)[O-])cc(Cl)c1NC[C@H]1C[C@@H](O)C1 ZINC000720939594 978088537 /nfs/dbraw/zinc/08/85/37/978088537.db2.gz GGBACWSJZPDNCN-WRXNHJIOSA-N -1 0 300.698 2.129 20 5 DEBDRM CC[C@@H](OC(=O)COc1cccc([N+](=O)[O-])c1)[C@@H](C)C(=O)[O-] ZINC001595339833 980614148 /nfs/dbraw/zinc/61/41/48/980614148.db2.gz HFXHHZWJCGTTHH-BXKDBHETSA-N -1 0 311.290 2.016 20 5 DEBDRM CC[C@H](SC)C(=O)OCc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001595358361 980731127 /nfs/dbraw/zinc/73/11/27/980731127.db2.gz IWFUYDZKUKNISP-NSHDSACASA-N -1 0 313.331 2.478 20 5 DEBDRM CCC[C@@H](C)S(=O)(=O)Oc1cccc(C(=O)[O-])c1[N+](=O)[O-] ZINC001595579470 981507578 /nfs/dbraw/zinc/50/75/78/981507578.db2.gz PUURTPJJPVSJQJ-MRVPVSSYSA-N -1 0 317.319 2.190 20 5 DEBDRM CC[C@](C)(CC(=O)[O-])NC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC001594821215 981968915 /nfs/dbraw/zinc/96/89/15/981968915.db2.gz QXZQPWOXYUVFRL-CQSZACIVSA-N -1 0 312.297 2.036 20 5 DEBDRM CCCCC[C@@H](NC(=O)COc1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC001595672564 982135411 /nfs/dbraw/zinc/13/54/11/982135411.db2.gz MERKEEIORKGMCT-CYBMUJFWSA-N -1 0 324.333 2.123 20 5 DEBDRM CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC(C(=O)[O-])C1 ZINC001595987694 983240000 /nfs/dbraw/zinc/24/00/00/983240000.db2.gz NROJACLANOBQOW-UHFFFAOYSA-N -1 0 324.358 2.254 20 5 DEBDRM CCN1CCN(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2Cl)CC1 ZINC001596442256 984135542 /nfs/dbraw/zinc/13/55/42/984135542.db2.gz PRLMUMOSTMAOIB-UHFFFAOYSA-N -1 0 313.741 2.088 20 5 DEBDRM C/C(=C\COC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)C(=O)[O-] ZINC001588989178 984906987 /nfs/dbraw/zinc/90/69/87/984906987.db2.gz JRQOTTQVIFSFGT-XBXARRHUSA-N -1 0 313.693 2.365 20 5 DEBDRM Cc1[nH]nc(C(=O)Nc2ccc([C@@H](C)C(=O)[O-])cc2)c1[N+](=O)[O-] ZINC001599967326 985931573 /nfs/dbraw/zinc/93/15/73/985931573.db2.gz JUBYREFRLKVZIJ-SSDOTTSWSA-N -1 0 318.289 2.067 20 5 DEBDRM C[C@@H](C(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1)c1cccc([N+](=O)[O-])c1 ZINC001589340125 986247122 /nfs/dbraw/zinc/24/71/22/986247122.db2.gz WOZDBTAOAXXIMO-XWIASGKRSA-N -1 0 306.318 2.020 20 5 DEBDRM CCOc1cc(COC(=O)[C@H](C)CC(=O)[O-])ccc1[N+](=O)[O-] ZINC001597038097 986483189 /nfs/dbraw/zinc/48/31/89/986483189.db2.gz CQWIXOXBMIOGIG-SECBINFHSA-N -1 0 311.290 2.148 20 5 DEBDRM CC(C)[C@@H](OC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F)C(=O)[O-] ZINC001589541020 987251151 /nfs/dbraw/zinc/25/11/51/987251151.db2.gz WVFOYAFTZOPODF-PRHODGIISA-N -1 0 313.281 2.490 20 5 DEBDRM C[C@H](C(=O)OCC1(C(=O)[O-])CCC1)c1cccc([N+](=O)[O-])c1 ZINC001589548687 987279264 /nfs/dbraw/zinc/27/92/64/987279264.db2.gz LRKSZQKBKIVNIE-JTQLQIEISA-N -1 0 307.302 2.496 20 5 DEBDRM C[C@@H](C(=O)Oc1ccc(C(=O)[O-])c([N+](=O)[O-])c1)[C@@H]1CCCO1 ZINC001589552453 987286020 /nfs/dbraw/zinc/28/60/20/987286020.db2.gz FWMVODWNBPLXPS-PELKAZGASA-N -1 0 309.274 2.014 20 5 DEBDRM CC[C@@H]1OCC[C@H]1C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1C ZINC001597303421 987416512 /nfs/dbraw/zinc/41/65/12/987416512.db2.gz HEBUGXMULVMEIQ-MFKMUULPSA-N -1 0 322.317 2.355 20 5 DEBDRM CC(C)(C)CCNC(=O)COc1cccc(C(=O)[O-])c1[N+](=O)[O-] ZINC001589776776 988139315 /nfs/dbraw/zinc/13/93/15/988139315.db2.gz HHQKHJRMDXDKDT-UHFFFAOYSA-N -1 0 324.333 2.224 20 5 DEBDRM CSc1ccc(C(=O)NC2CC(CC(=O)[O-])C2)cc1[N+](=O)[O-] ZINC001599809415 988308717 /nfs/dbraw/zinc/30/87/17/988308717.db2.gz CYQBVTSBULSFON-UHFFFAOYSA-N -1 0 324.358 2.300 20 5 DEBDRM CSc1cccc(C(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])c1[N+](=O)[O-] ZINC001599821878 988529207 /nfs/dbraw/zinc/52/92/07/988529207.db2.gz LEBZGWMNSXFUNF-WCBMZHEXSA-N -1 0 324.358 2.300 20 5 DEBDRM CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001599823121 988549281 /nfs/dbraw/zinc/54/92/81/988549281.db2.gz YWNXHOFKNONIHP-BDAKNGLRSA-N -1 0 324.358 2.300 20 5 DEBDRM C[C@@H](Nc1ccc(CC(=O)[O-])cc1[N+](=O)[O-])c1cnccn1 ZINC001599842680 988873567 /nfs/dbraw/zinc/87/35/67/988873567.db2.gz WSTZAMFWTOORAE-SECBINFHSA-N -1 0 302.290 2.185 20 5 DEBDRM CC(C)(CNc1nccc(C(=O)[O-])c1[N+](=O)[O-])C1=CCOCC1 ZINC001590780138 990592494 /nfs/dbraw/zinc/59/24/94/990592494.db2.gz OLAOWWMPURWXSK-UHFFFAOYSA-N -1 0 321.333 2.473 20 5 DEBDRM CC(C)[C@H](Nc1nccc(C(=O)[O-])c1[N+](=O)[O-])c1cnn(C)c1 ZINC001591036160 991361136 /nfs/dbraw/zinc/36/11/36/991361136.db2.gz PQIDIDYGGTYRHJ-NSHDSACASA-N -1 0 319.321 2.231 20 5 DEBDRM CC(C)[C@H](OC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1)C(=O)[O-] ZINC001591040594 991378816 /nfs/dbraw/zinc/37/88/16/991378816.db2.gz OSZGBMUHZALEGH-AWEZNQCLSA-N -1 0 323.301 2.210 20 5 DEBDRM COc1nscc1COc1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001599743714 991899102 /nfs/dbraw/zinc/89/91/02/991899102.db2.gz SFSWJMWFPRSVHZ-UHFFFAOYSA-N -1 0 310.287 2.337 20 5 DEBDRM CN(CCCCO)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1Cl ZINC001598476267 992083190 /nfs/dbraw/zinc/08/31/90/992083190.db2.gz MEZLULNBPXJYGV-UHFFFAOYSA-N -1 0 302.714 2.155 20 5 DEBDRM CN(Cc1ccc(Cl)nc1)c1ncc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001598517277 992631992 /nfs/dbraw/zinc/63/19/92/992631992.db2.gz GSLXGXFDNJMQSO-UHFFFAOYSA-N -1 0 322.708 2.373 20 5 DEBDRM CN(Cc1cnn(C)c1)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1Cl ZINC001598533826 992824623 /nfs/dbraw/zinc/82/46/23/992824623.db2.gz OLMOPUIAAHIWQE-UHFFFAOYSA-N -1 0 324.724 2.316 20 5 DEBDRM CN(Cc1nccs1)c1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC001598539243 992880094 /nfs/dbraw/zinc/88/00/94/992880094.db2.gz ZAUWJDFARRVGGT-UHFFFAOYSA-N -1 0 307.331 2.315 20 5 DEBDRM COc1cccc(C(=O)Nc2ncc(C(=O)[O-])s2)c1[N+](=O)[O-] ZINC001599642352 994377359 /nfs/dbraw/zinc/37/73/59/994377359.db2.gz HHVRPSNPQATCIZ-UHFFFAOYSA-N -1 0 323.286 2.010 20 5 DEBDRM CNc1c(C(=O)N[C@@H]2CCC[C@H]2CC(=O)[O-])cccc1[N+](=O)[O-] ZINC001598677423 994869179 /nfs/dbraw/zinc/86/91/79/994869179.db2.gz OYJQLNGNZBFVCC-GXSJLCMTSA-N -1 0 321.333 2.010 20 5 DEBDRM C[C@@H](Nc1ncc([N+](=O)[O-])cn1)c1ccc(OCC(=O)[O-])cc1 ZINC001593373727 995069521 /nfs/dbraw/zinc/06/95/21/995069521.db2.gz HXELBMJPFJYZCW-SECBINFHSA-N -1 0 318.289 2.021 20 5 DEBDRM C[C@]1(C(=O)[O-])CCN(Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC001593797116 996513492 /nfs/dbraw/zinc/51/34/92/996513492.db2.gz DTRGHYQTCMQHNP-ZDUSSCGKSA-N -1 0 300.261 2.170 20 5 DEBDRM COc1cc(C(=O)OCCCCC(=O)[O-])cc([N+](=O)[O-])c1C ZINC001599387538 996973769 /nfs/dbraw/zinc/97/37/69/996973769.db2.gz IYDOBYMMNBKRGY-UHFFFAOYSA-N -1 0 311.290 2.324 20 5 DEBDRM CO[C@]1(CNc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CCSC1 ZINC001599090988 997190592 /nfs/dbraw/zinc/19/05/92/997190592.db2.gz XDWKJWXLVBMZRW-ZDUSSCGKSA-N -1 0 312.347 2.227 20 5 DEBDRM CO[C@H]1C[C@H]([NH2+]Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C12CCC2 ZINC001599095765 997278610 /nfs/dbraw/zinc/27/86/10/997278610.db2.gz GWQHDKAAYVNWKZ-KBPBESRZSA-N -1 0 320.345 2.340 20 5 DEBDRM COc1cc(OCc2ncccc2C(=O)[O-])ccc1[N+](=O)[O-] ZINC001599457174 998207667 /nfs/dbraw/zinc/20/76/67/998207667.db2.gz ZQWBSQKRSHUNAO-UHFFFAOYSA-N -1 0 304.258 2.276 20 5 DEBDRM C[C@H]1C(=O)CC[C@@H]1CC(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001594127255 998312527 /nfs/dbraw/zinc/31/25/27/998312527.db2.gz XZCNPDPWUHTSHD-RKDXNWHRSA-N -1 0 320.301 2.237 20 5 DEBDRM C[C@H]1CC(C(=O)[O-])C[C@H](C)N1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC001594206512 998794570 /nfs/dbraw/zinc/79/45/70/998794570.db2.gz RDQPIVYMCJIPCV-QWRGUYRKSA-N -1 0 320.345 2.238 20 5 DEBDRM C[C@@H]1C[C@@H](C)[C@@H](C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)O1 ZINC001594220087 998846201 /nfs/dbraw/zinc/84/62/01/998846201.db2.gz VVXJTHJZNDODQB-RWYTXXIDSA-N -1 0 308.290 2.045 20 5 DEBDRM C[C@@H]1C[C@@H](Nc2nc(C(=O)[O-])ccc2[N+](=O)[O-])c2nccn21 ZINC001594267562 999037945 /nfs/dbraw/zinc/03/79/45/999037945.db2.gz YSHBQFSLOOWTCF-VXNVDRBHSA-N -1 0 303.278 2.002 20 5 DEBDRM O=C([O-])c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N1CCC[C@H](F)C1 ZINC001602300416 1069596981 /nfs/dbraw/zinc/59/69/81/1069596981.db2.gz YYUYLINXNXACJK-ZETCQYMHSA-N -1 0 313.241 2.140 20 5 DEBDRM O=C([O-])c1ccc(OCc2cnc(Cl)cn2)c([N+](=O)[O-])c1 ZINC001602392500 1069627193 /nfs/dbraw/zinc/62/71/93/1069627193.db2.gz MSAHHTDNCSWFTD-UHFFFAOYSA-N -1 0 309.665 2.315 20 5 DEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(NCCCc2ccccn2)n1 ZINC001602405910 1069629453 /nfs/dbraw/zinc/62/94/53/1069629453.db2.gz VOLDTVSZMSOXFA-UHFFFAOYSA-N -1 0 302.290 2.128 20 5 DEBDRM Cc1nnc(COc2ccc(C(=O)[O-])cc2[N+](=O)[O-])n1C1CC1 ZINC001610573694 1078045034 /nfs/dbraw/zinc/04/50/34/1078045034.db2.gz ZVYPGDJMLWVIAS-UHFFFAOYSA-N -1 0 318.289 2.107 20 5 DEBDRM O=C([O-])c1ccnc(N(Cc2cccc([N+](=O)[O-])c2)C2CC2)n1 ZINC001602481236 1069653589 /nfs/dbraw/zinc/65/35/89/1069653589.db2.gz KUQQHXKBTXELRS-UHFFFAOYSA-N -1 0 314.301 2.252 20 5 DEBDRM O=C([O-])c1ccnc(N[C@@H]2C[C@H](O)c3ccccc32)c1[N+](=O)[O-] ZINC001602482783 1069653942 /nfs/dbraw/zinc/65/39/42/1069653942.db2.gz KBKDKQMKVKZSQC-NEPJUHHUSA-N -1 0 315.285 2.278 20 5 DEBDRM O=C([O-])c1coc(C(=O)OCc2c(F)cccc2[N+](=O)[O-])c1 ZINC001602552368 1069673308 /nfs/dbraw/zinc/67/33/08/1069673308.db2.gz PFXBCJGLQLBNDX-UHFFFAOYSA-N -1 0 309.205 2.382 20 5 DEBDRM O=C([O-])c1nn(CCOc2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC001602585187 1069685321 /nfs/dbraw/zinc/68/53/21/1069685321.db2.gz PCRSWVUDLYTJSM-UHFFFAOYSA-N -1 0 311.681 2.222 20 5 DEBDRM O=C([O-])c1occc1CNc1ncnc2ccc([N+](=O)[O-])cc21 ZINC001602589413 1069686421 /nfs/dbraw/zinc/68/64/21/1069686421.db2.gz SUVLTNOSLXQJJO-UHFFFAOYSA-N -1 0 314.257 2.441 20 5 DEBDRM O=C([O-])[C@]12CCC[C@H]1N(C(=O)c1cc(F)cc([N+](=O)[O-])c1)CC2 ZINC001602623150 1069706526 /nfs/dbraw/zinc/70/65/26/1069706526.db2.gz WRXGPQQQUMHDBF-DOMZBBRYSA-N -1 0 322.292 2.203 20 5 DEBDRM C[C@H](C(=O)Nc1cc(C(=O)[O-])n(C)c1)c1cccc([N+](=O)[O-])c1 ZINC001603174372 1069901302 /nfs/dbraw/zinc/90/13/02/1069901302.db2.gz DUAOEJHYFOZALZ-VIFPVBQESA-N -1 0 317.301 2.374 20 5 DEBDRM C[C@@H](C(=O)[O-])N(C(=O)c1cc(F)cc([N+](=O)[O-])c1)C1CCC1 ZINC001603196996 1069905906 /nfs/dbraw/zinc/90/59/06/1069905906.db2.gz YCFPIMPEUQMQPZ-QMMMGPOBSA-N -1 0 310.281 2.202 20 5 DEBDRM CC(C)CCS(=O)(=O)Oc1cccc(C(=O)[O-])c1[N+](=O)[O-] ZINC001603798863 1070105774 /nfs/dbraw/zinc/10/57/74/1070105774.db2.gz NJZTUWPHULOGFF-UHFFFAOYSA-N -1 0 317.319 2.048 20 5 DEBDRM C[C@H](CC(=O)[O-])C(=O)O[C@H](c1ccccc1F)[C@@H](C)[N+](=O)[O-] ZINC001604095979 1070211902 /nfs/dbraw/zinc/21/19/02/1070211902.db2.gz JFFOUPCOZNJBFO-KKFJDGPESA-N -1 0 313.281 2.186 20 5 DEBDRM C[C@@](NC(=O)C1(F)CCCC1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001604266124 1070301355 /nfs/dbraw/zinc/30/13/55/1070301355.db2.gz YPELQZLTIKDEQR-AWEZNQCLSA-N -1 0 324.308 2.293 20 5 DEBDRM C[C@@]1(C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)CCCCO1 ZINC001604490537 1070410783 /nfs/dbraw/zinc/41/07/83/1070410783.db2.gz JLZFBHLQGGOGDK-AWEZNQCLSA-N -1 0 308.290 2.191 20 5 DEBDRM CC1(C)CCC[C@@](NC(=O)c2ccc([N+](=O)[O-])[nH]2)(C(=O)[O-])C1 ZINC001604530259 1070424158 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