smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCC(C)(C)NC(=S)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1C ZINC001594809399 981926909 /nfs/dbraw/zinc/92/69/09/981926909.db2.gz IUDPTQXMBVOGTJ-UHFFFAOYSA-N -1 0 325.390 3.076 20 5 EGBDRM CCCC[C@@H](S[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC001595651175 982018565 /nfs/dbraw/zinc/01/85/65/982018565.db2.gz CNZLPXOORUASOV-GXFFZTMASA-N -1 0 340.401 3.298 20 5 EGBDRM CCCC1CCC(NC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)CC1 ZINC000920009146 982690828 /nfs/dbraw/zinc/69/08/28/982690828.db2.gz FPOJNVDKVSYXNN-UHFFFAOYSA-N -1 0 334.372 3.382 20 5 EGBDRM CCCNc1ccc(CNc2nccc(C(=O)[O-])c2[N+](=O)[O-])cc1 ZINC001595937255 983083263 /nfs/dbraw/zinc/08/32/63/983083263.db2.gz YGOLMWYUYUCDPK-UHFFFAOYSA-N -1 0 330.344 3.122 20 5 EGBDRM CCOC(=O)Nc1ccc(Nc2ncc(C(=O)[O-])cc2[N+](=O)[O-])cc1 ZINC001596667179 984733375 /nfs/dbraw/zinc/73/33/75/984733375.db2.gz SZFIJHSFJAULBK-UHFFFAOYSA-N -1 0 346.299 3.000 20 5 EGBDRM Cc1[nH]c(CN(C)Cc2cc([N+](=O)[O-])ccc2Cl)cc1C(=O)[O-] ZINC001599962128 985803788 /nfs/dbraw/zinc/80/37/88/985803788.db2.gz LUNANKMSOBOYET-UHFFFAOYSA-N -1 0 337.763 3.215 20 5 EGBDRM Cc1c(C(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)cccc1[N+](=O)[O-] ZINC001599983515 986197336 /nfs/dbraw/zinc/19/73/36/986197336.db2.gz DSCZIQGDWPCLFT-LSDHHAIUSA-N -1 0 340.335 3.344 20 5 EGBDRM C[C@H]1CN(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2Cl)CCC1(F)F ZINC001594575287 986410775 /nfs/dbraw/zinc/41/07/75/986410775.db2.gz JTHYTFMJDWRVRK-ZETCQYMHSA-N -1 0 334.706 3.428 20 5 EGBDRM CCOc1cc(OCc2cc(C(=O)[O-])ccc2F)ccc1[N+](=O)[O-] ZINC001597044133 986502369 /nfs/dbraw/zinc/50/23/69/986502369.db2.gz CZBMPNZPXRYDIF-UHFFFAOYSA-N -1 0 335.287 3.410 20 5 EGBDRM CCOc1ccc(C(=O)Nc2sccc2C(=O)[O-])cc1[N+](=O)[O-] ZINC001597061805 986550653 /nfs/dbraw/zinc/55/06/53/986550653.db2.gz JUJPANCUUPQEPP-UHFFFAOYSA-N -1 0 336.325 3.006 20 5 EGBDRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)Nc2ccc(N)c([N+](=O)[O-])c2)c1 ZINC001589533263 987224521 /nfs/dbraw/zinc/22/45/21/987224521.db2.gz LIHSXMJQZPPJCC-SECBINFHSA-N -1 0 344.327 3.009 20 5 EGBDRM CC[C@H](OC(=O)c1c(C)coc1CC(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001597355599 987502373 /nfs/dbraw/zinc/50/23/73/987502373.db2.gz IZLWVEOZPFPHSV-ZDUSSCGKSA-N -1 0 347.323 3.431 20 5 EGBDRM CCc1ccc([C@H](O)CNc2cc(C)c([N+](=O)[O-])cc2C(=O)[O-])cc1 ZINC001597514933 988124782 /nfs/dbraw/zinc/12/47/82/988124782.db2.gz ZDOKIAPSAVFQEF-QGZVFWFLSA-N -1 0 344.367 3.309 20 5 EGBDRM CCc1ccc([N+](=O)[O-])cc1NC(=O)NCc1cc(C)c(C(=O)[O-])o1 ZINC001597563465 988315897 /nfs/dbraw/zinc/31/58/97/988315897.db2.gz MKURZPXHZLUHCJ-UHFFFAOYSA-N -1 0 347.327 3.079 20 5 EGBDRM CCc1nc(C)c(CNc2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])o1 ZINC001597660795 988728274 /nfs/dbraw/zinc/72/82/74/988728274.db2.gz FJSCRWYFVQBOJY-UHFFFAOYSA-N -1 0 339.735 3.417 20 5 EGBDRM CC(C)[C@@H](O)C1(CNc2ccc([N+](=O)[O-])c(C(=O)[O-])c2Cl)CC1 ZINC001591041538 991392085 /nfs/dbraw/zinc/39/20/85/991392085.db2.gz QUUAFCUJVBZFKM-CYBMUJFWSA-N -1 0 342.779 3.155 20 5 EGBDRM CN(CCc1ccccn1)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1Cl ZINC001598501325 992437990 /nfs/dbraw/zinc/43/79/90/992437990.db2.gz KMYMIGCIPTZBDB-UHFFFAOYSA-N -1 0 335.747 3.020 20 5 EGBDRM CNc1ccc(C(=O)Nc2ccc(F)c(C(=O)[O-])c2C)cc1[N+](=O)[O-] ZINC001598679394 994901561 /nfs/dbraw/zinc/90/15/61/994901561.db2.gz XKUMLCMTVBVEMD-UHFFFAOYSA-N -1 0 347.302 3.035 20 5 EGBDRM C[C@@H](OC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)c1cccc(F)c1 ZINC001593556641 995645586 /nfs/dbraw/zinc/64/55/86/995645586.db2.gz SWLFIZDPCBQKOO-SECBINFHSA-N -1 0 333.271 3.350 20 5 EGBDRM COc1cc(C(C)=O)ccc1Sc1nc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001599387485 996972398 /nfs/dbraw/zinc/97/23/98/996972398.db2.gz DJALCYKJEPRTFR-UHFFFAOYSA-N -1 0 348.336 3.050 20 5 EGBDRM COc1ccc(CNc2nc(Cl)c(C(=O)[O-])s2)cc1[N+](=O)[O-] ZINC001599574346 998418504 /nfs/dbraw/zinc/41/85/04/998418504.db2.gz FFAOTHBBRYWHMC-UHFFFAOYSA-N -1 0 343.748 3.024 20 5 EGBDRM COC(=O)c1ccccc1CSc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001599003392 998837959 /nfs/dbraw/zinc/83/79/59/998837959.db2.gz PGNHYVIKRXLUAZ-UHFFFAOYSA-N -1 0 347.348 3.372 20 5 EGBDRM CO[C@@H](CNc1cc(C)c([N+](=O)[O-])cc1C(=O)[O-])Cc1ccccc1 ZINC001599056399 999233058 /nfs/dbraw/zinc/23/30/58/999233058.db2.gz WCVRLTXOFDVJFQ-CQSZACIVSA-N -1 0 344.367 3.271 20 5 EGBDRM CC(C)(CCC(=O)[O-])Nc1ccc([N+](=O)[O-])cc1Br ZINC000050196205 214049901 /nfs/dbraw/zinc/04/99/01/214049901.db2.gz NCESXHVDKACKPQ-UHFFFAOYSA-N -1 0 331.166 3.413 20 5 EGBDRM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CCC[C@@H]1Cc1ccc(F)cc1 ZINC000368213068 168325585 /nfs/dbraw/zinc/32/55/85/168325585.db2.gz SBZYXMTZLXABTN-OAHLLOKOSA-N -1 0 344.342 3.287 20 5 EGBDRM CCC1CCC(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)(C(=O)[O-])CC1 ZINC000336875714 282551788 /nfs/dbraw/zinc/55/17/88/282551788.db2.gz KRBIZBOBYSEOAL-UHFFFAOYSA-N -1 0 334.372 3.057 20 5 EGBDRM C[C@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000077108592 291151705 /nfs/dbraw/zinc/15/17/05/291151705.db2.gz OHTJLBFXCIKAJT-FZMZJTMJSA-N -1 0 344.342 3.458 20 5 EGBDRM O=C([O-])c1c2c(sc1NC(=O)c1ccc([N+](=O)[O-])cc1)CCC2 ZINC000020334775 212120126 /nfs/dbraw/zinc/12/01/26/212120126.db2.gz ASOSRJVYBCRCIH-UHFFFAOYSA-N -1 0 332.337 3.096 20 5 EGBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc3ncsc3c2)cc1 ZINC000103279457 204071645 /nfs/dbraw/zinc/07/16/45/204071645.db2.gz RLEYXHBCDXIMRH-UHFFFAOYSA-N -1 0 335.366 3.005 20 5 EGBDRM CCc1nc(C)c([C@@H](C)N(C)C(=O)c2ccc([N+](=O)[O-])cc2[O-])s1 ZINC000159397933 206244135 /nfs/dbraw/zinc/24/41/35/206244135.db2.gz WSSBBZVSJCMBLH-SNVBAGLBSA-N -1 0 349.412 3.461 20 5 EGBDRM CC(C)COC[C@@H](NC(=O)c1ccc([O-])c([N+](=O)[O-])c1)c1ccco1 ZINC000160195075 206283620 /nfs/dbraw/zinc/28/36/20/206283620.db2.gz WIOKFNFRLGDEJP-CYBMUJFWSA-N -1 0 348.355 3.037 20 5 EGBDRM CCc1ncsc1[N-]S(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000161979266 206379579 /nfs/dbraw/zinc/37/95/79/206379579.db2.gz IXCDQIHLXNBWAH-UHFFFAOYSA-N -1 0 341.414 3.031 20 5 EGBDRM Cc1ccc(C(C)(C)CN(C)C(=O)c2cc([N+](=O)[O-])c[nH]c2=O)cc1 ZINC000174506329 207023695 /nfs/dbraw/zinc/02/36/95/207023695.db2.gz LBYZHKAQLYEBDB-UHFFFAOYSA-N -1 0 343.383 3.054 20 5 EGBDRM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N(Cc1cccc(O)c1)CC1CC1 ZINC000175650597 207146594 /nfs/dbraw/zinc/14/65/94/207146594.db2.gz JQIPYLDPCKDXNM-UHFFFAOYSA-N -1 0 342.351 3.058 20 5 EGBDRM Cc1cc([C@@H](C)NC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c(C)s1 ZINC000237492154 141004236 /nfs/dbraw/zinc/00/42/36/141004236.db2.gz CZUVJSPLCGRADQ-SECBINFHSA-N -1 0 348.380 3.462 20 5 EGBDRM CCCC(=O)Nc1cccc(NC(=O)c2cc([O-])ccc2[N+](=O)[O-])c1 ZINC000350615828 141256229 /nfs/dbraw/zinc/25/62/29/141256229.db2.gz KOASBESGSLFCFE-UHFFFAOYSA-N -1 0 343.339 3.291 20 5 EGBDRM O=C(Nc1ccc(-c2cncnc2)cc1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000356820330 141348545 /nfs/dbraw/zinc/34/85/45/141348545.db2.gz JJEFQVQIWXOYMQ-UHFFFAOYSA-N -1 0 336.307 3.010 20 5 EGBDRM Cc1cc2c[nH]nc2c(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])c1 ZINC000351783505 144306061 /nfs/dbraw/zinc/30/60/61/144306061.db2.gz RUOYNAMDNZWZNV-UHFFFAOYSA-N -1 0 346.730 3.391 20 5 EGBDRM CC(C)c1ccc(C(=O)N2CCC[C@@H](CCC(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000263544235 153999251 /nfs/dbraw/zinc/99/92/51/153999251.db2.gz SHYCSGQUQDJVLR-ZDUSSCGKSA-N -1 0 348.399 3.435 20 5 EGBDRM Cc1ccc(C(=O)Nc2cccc(CCC(=O)[O-])c2)cc1[N+](=O)[O-] ZINC000325361754 154178702 /nfs/dbraw/zinc/17/87/02/154178702.db2.gz HSOYGCGBFGGQQQ-UHFFFAOYSA-N -1 0 328.324 3.173 20 5 EGBDRM Cc1cc(C)c(C([O-])=CS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1C ZINC000325755828 154180278 /nfs/dbraw/zinc/18/02/78/154180278.db2.gz YVVKMSRXLBSOQK-UHFFFAOYSA-N -1 0 347.392 3.177 20 5 EGBDRM Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](CC1CCCCC1)C(=O)[O-] ZINC000326303506 154182268 /nfs/dbraw/zinc/18/22/68/154182268.db2.gz FPEASMATVHYQJP-OAHLLOKOSA-N -1 0 334.372 3.057 20 5 EGBDRM CCn1nc(/C=C/c2ncc([N+](=O)[O-])cc2C(=O)[O-])c2ccccc21 ZINC000349045753 156330907 /nfs/dbraw/zinc/33/09/07/156330907.db2.gz JPPYLKDDKJRMNI-BQYQJAHWSA-N -1 0 338.323 3.228 20 5 EGBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1cnc(-c2ccco2)s1 ZINC000092546067 161972692 /nfs/dbraw/zinc/97/26/92/161972692.db2.gz MXDXSTBMVVLVJD-UHFFFAOYSA-N -1 0 331.309 3.269 20 5 EGBDRM Cc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)c1cccc2cnccc21 ZINC000093929098 162033659 /nfs/dbraw/zinc/03/36/59/162033659.db2.gz NCUGMWXSLGIYCL-UHFFFAOYSA-N -1 0 343.364 3.252 20 5 EGBDRM CC(C)COc1cccc(CNC(=O)c2ccc([N+](=O)[O-])c([O-])c2)c1 ZINC000344205951 164126795 /nfs/dbraw/zinc/12/67/95/164126795.db2.gz DEYURYGWRIAXDQ-UHFFFAOYSA-N -1 0 344.367 3.265 20 5 EGBDRM O=C([O-])[C@@H](Cc1ccccc1)Nc1ccc([N+](=O)[O-])c2cnccc12 ZINC000347234800 164465439 /nfs/dbraw/zinc/46/54/39/164465439.db2.gz NFFFYGVSYVBGPI-MRXNPFEDSA-N -1 0 337.335 3.251 20 5 EGBDRM O=c1[n-]c(=O)c([N+](=O)[O-])c(C=Cc2csc(Cl)c2Cl)[nH]1 ZINC000352013232 165192710 /nfs/dbraw/zinc/19/27/10/165192710.db2.gz HZDDYUXYRHPTOU-UPHRSURJSA-N -1 0 334.140 3.335 20 5 EGBDRM O=[N+]([O-])c1cc(F)cc([N-]S(=O)(=O)c2cccc3ncccc32)c1 ZINC000355877454 166335833 /nfs/dbraw/zinc/33/58/33/166335833.db2.gz CLIBDYIVFRESPN-UHFFFAOYSA-N -1 0 347.327 3.083 20 5 EGBDRM O=C(NCC1(c2ccccc2Cl)CC1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000356726180 166493536 /nfs/dbraw/zinc/49/35/36/166493536.db2.gz KXLGARHWTVROIH-UHFFFAOYSA-N -1 0 346.770 3.415 20 5 EGBDRM O=C(Nc1cccc(Cl)c1OCC(F)F)c1ccc([N+](=O)[O-])[nH]1 ZINC000359904851 167263240 /nfs/dbraw/zinc/26/32/40/167263240.db2.gz IIAVXSKNIITEAG-UHFFFAOYSA-N -1 0 345.689 3.473 20 5 EGBDRM COc1ccc2c(c1NC(=O)c1cc([O-])cc([N+](=O)[O-])c1)CCC2 ZINC000360895391 167441360 /nfs/dbraw/zinc/44/13/60/167441360.db2.gz VLCBJWNXCHGZKN-UHFFFAOYSA-N -1 0 328.324 3.050 20 5 EGBDRM O=C(Nc1cc(-c2cccs2)[nH]n1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000156669190 264830841 /nfs/dbraw/zinc/83/08/41/264830841.db2.gz MUWIBTZEAQRPGD-UHFFFAOYSA-N -1 0 330.325 3.004 20 5 EGBDRM CC[C@H](NC(=O)c1ccc([O-])c([N+](=O)[O-])c1)c1cc(F)ccc1F ZINC000164735804 264925717 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3.230 20 5 EGBDRM CC[C@H](CNc1nccc(C(=O)[O-])c1[N+](=O)[O-])Oc1ccccc1F ZINC000565035391 316252860 /nfs/dbraw/zinc/25/28/60/316252860.db2.gz HOMLHUYFVUCMQB-SNVBAGLBSA-N -1 0 349.318 3.097 20 5 EGBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N[C@H]2CCc3c2cccc3F)n1 ZINC000565039179 316254159 /nfs/dbraw/zinc/25/41/59/316254159.db2.gz XWAUMRBQMCMOHU-ZDUSSCGKSA-N -1 0 331.303 3.235 20 5 EGBDRM Cc1cc(NCc2ccc3c(n2)CCCC3)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000565423450 316322489 /nfs/dbraw/zinc/32/24/89/316322489.db2.gz GPZAXJQEOPJMDJ-UHFFFAOYSA-N -1 0 341.367 3.487 20 5 EGBDRM CC[C@@H](Cc1ccccc1-c1cc([N+](=O)[O-])ccc1CO)C(=O)[O-] ZINC000565433411 316324447 /nfs/dbraw/zinc/32/44/47/316324447.db2.gz SPZSJMHCYCAPDT-LBPRGKRZSA-N -1 0 329.352 3.407 20 5 EGBDRM O=C([O-])[C@@H]1C[C@@]12CCc1cc(-c3cc([N+](=O)[O-])ccc3CO)ccc12 ZINC000570648996 317087196 /nfs/dbraw/zinc/08/71/96/317087196.db2.gz MPTKIOMRHVBGMQ-PKOBYXMFSA-N -1 0 339.347 3.043 20 5 EGBDRM COc1cccc2c1C[C@@H](Nc1cc(C)c([N+](=O)[O-])c(C(=O)[O-])c1)C2 ZINC000571094135 317149788 /nfs/dbraw/zinc/14/97/88/317149788.db2.gz ZGHYVBSKRYLNDU-ZDUSSCGKSA-N -1 0 342.351 3.189 20 5 EGBDRM Cc1c(C(=O)[O-])cc([N+](=O)[O-])cc1-c1ccc(O[C@H]2CCOC2)cc1 ZINC000572617645 317366246 /nfs/dbraw/zinc/36/62/46/317366246.db2.gz COXYFOUYDREQQT-HNNXBMFYSA-N -1 0 343.335 3.436 20 5 EGBDRM CCCOCCOc1cccc(-c2cc(C(=O)[O-])c([N+](=O)[O-])cn2)c1 ZINC000572663408 317371868 /nfs/dbraw/zinc/37/18/68/317371868.db2.gz OHUARMVLGZPMPI-UHFFFAOYSA-N -1 0 346.339 3.160 20 5 EGBDRM Cc1ccc([C@]2(C)CCN(c3nccc(C(=O)[O-])c3[N+](=O)[O-])C2)cc1 ZINC000573093040 317436559 /nfs/dbraw/zinc/43/65/59/317436559.db2.gz HDKJVSSFOLWBLO-GOSISDBHSA-N -1 0 341.367 3.164 20 5 EGBDRM O=C([O-])c1cnc(N2CCC(OC3CCCCC3)CC2)c([N+](=O)[O-])c1 ZINC000575049087 317666232 /nfs/dbraw/zinc/66/62/32/317666232.db2.gz PJAWVZCMSZJKDD-UHFFFAOYSA-N -1 0 349.387 3.006 20 5 EGBDRM C[C@@H]1CCN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C[C@@H]1C(=O)[O-] ZINC000577179129 324757445 /nfs/dbraw/zinc/75/74/45/324757445.db2.gz SKVBNGYAVWJRNW-YPMHNXCESA-N -1 0 348.399 3.075 20 5 EGBDRM Cc1noc(C)c1[C@@H](C)CNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC000578073630 324914096 /nfs/dbraw/zinc/91/40/96/324914096.db2.gz UFLGSCBPROAGDM-VIFPVBQESA-N -1 0 333.344 3.042 20 5 EGBDRM CC(C)(C)c1cnc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)s1 ZINC000578359500 324958481 /nfs/dbraw/zinc/95/84/81/324958481.db2.gz XQSZDALIRMEKDZ-UHFFFAOYSA-N -1 0 341.414 3.150 20 5 EGBDRM CCC[C@]1(C(=O)[O-])CCCN1C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000580163042 325211828 /nfs/dbraw/zinc/21/18/28/325211828.db2.gz LVVSNYAXUJNFRP-SJKOYZFVSA-N -1 0 349.387 3.085 20 5 EGBDRM COCCC1(CNc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])CCCC1 ZINC000580957023 325314321 /nfs/dbraw/zinc/31/43/21/325314321.db2.gz LHUOOKVEMSGMMY-UHFFFAOYSA-N -1 0 336.388 3.231 20 5 EGBDRM CCOCCC1(CNc2nccc(C(=O)[O-])c2[N+](=O)[O-])CCCC1 ZINC000581551066 325371014 /nfs/dbraw/zinc/37/10/14/325371014.db2.gz ZNPFJYZSVAWOSD-UHFFFAOYSA-N -1 0 337.376 3.087 20 5 EGBDRM CC(C)(C)n1cc(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])cn1 ZINC000180781935 455244388 /nfs/dbraw/zinc/24/43/88/455244388.db2.gz WHUGRJBANDRYOV-UHFFFAOYSA-N -1 0 338.751 3.158 20 5 EGBDRM O=C([O-])CCCCCCNC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000238127940 455255995 /nfs/dbraw/zinc/25/59/95/455255995.db2.gz FRLASKVPSCEIJC-UHFFFAOYSA-N -1 0 328.752 3.013 20 5 EGBDRM Cc1c([N-]S(=O)(=O)c2ccc(Cl)s2)cccc1[N+](=O)[O-] ZINC000014253982 453526590 /nfs/dbraw/zinc/52/65/90/453526590.db2.gz DHTCUSQVBGJVJT-UHFFFAOYSA-N -1 0 332.790 3.419 20 5 EGBDRM O=[N+]([O-])c1cccc([N-]S(=O)(=O)c2ccc(F)c3ncccc23)c1 ZINC000024578573 453738140 /nfs/dbraw/zinc/73/81/40/453738140.db2.gz WVDBBLVZETURQK-UHFFFAOYSA-N -1 0 347.327 3.083 20 5 EGBDRM O=C(NC[C@@H]1CCCc2ccccc21)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000030706933 453837697 /nfs/dbraw/zinc/83/76/97/453837697.db2.gz MDZWHVFAOYFYJK-AWEZNQCLSA-N -1 0 326.352 3.150 20 5 EGBDRM Cc1ccc(S(=O)(=O)[N-]c2cccc3ccn(C)c32)cc1[N+](=O)[O-] ZINC000190852319 455392099 /nfs/dbraw/zinc/39/20/99/455392099.db2.gz KQAVYLBUMDKCAC-UHFFFAOYSA-N -1 0 345.380 3.196 20 5 EGBDRM Cc1cccc([N-]S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)c1O ZINC000086170881 454042946 /nfs/dbraw/zinc/04/29/46/454042946.db2.gz BGZQEBNHNOOZRG-UHFFFAOYSA-N -1 0 336.369 3.026 20 5 EGBDRM CC[C@H](Cc1ccccc1)N(C)C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000182050862 455424501 /nfs/dbraw/zinc/42/45/01/455424501.db2.gz LQRNGXSCTMTTBD-CQSZACIVSA-N -1 0 328.368 3.394 20 5 EGBDRM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CCC(c2ccccc2)CC1 ZINC000078774731 454315600 /nfs/dbraw/zinc/31/56/00/454315600.db2.gz KSXKCGXKQZQXST-UHFFFAOYSA-N -1 0 326.352 3.320 20 5 EGBDRM Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(F)c(F)c([O-])c1F ZINC000184781398 455447636 /nfs/dbraw/zinc/44/76/36/455447636.db2.gz POGXZGTXNWEWDL-UHFFFAOYSA-N -1 0 326.230 3.278 20 5 EGBDRM Cc1ccccc1-n1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])cn1 ZINC000092546099 454583904 /nfs/dbraw/zinc/58/39/04/454583904.db2.gz KYJKRZHPCWVJDN-UHFFFAOYSA-N -1 0 338.323 3.047 20 5 EGBDRM CC(=O)Nc1ccc(Cl)c(NC(=O)c2cccc([N+](=O)[O-])c2[O-])c1 ZINC000136588643 454748213 /nfs/dbraw/zinc/74/82/13/454748213.db2.gz DAWKQZNEBQTKMF-UHFFFAOYSA-N -1 0 349.730 3.165 20 5 EGBDRM C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)[N-]OCCC(F)(F)F ZINC000162630181 454789397 /nfs/dbraw/zinc/78/93/97/454789397.db2.gz JQCPHKYEWOADBR-MRVPVSSYSA-N -1 0 338.307 3.076 20 5 EGBDRM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CCC[C@H]1c1cccc(F)c1 ZINC000164303947 454879699 /nfs/dbraw/zinc/87/96/99/454879699.db2.gz ZKLPDKLZHZEKMK-AWEZNQCLSA-N -1 0 330.315 3.417 20 5 EGBDRM O=C(N[C@@H]1CCOc2c(Cl)cccc21)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000164353310 454880574 /nfs/dbraw/zinc/88/05/74/454880574.db2.gz DGFHOYPPVTXNRJ-GFCCVEGCSA-N -1 0 348.742 3.207 20 5 EGBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cnoc2-c2ccccc2)cc1 ZINC000179524761 455054976 /nfs/dbraw/zinc/05/49/76/455054976.db2.gz VQIUHHVWQSULEG-UHFFFAOYSA-N -1 0 345.336 3.051 20 5 EGBDRM O=C(Nc1ccc(F)cc1NC1CC1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000180157646 455141703 /nfs/dbraw/zinc/14/17/03/455141703.db2.gz RWXMTIDKAHCCHG-UHFFFAOYSA-N -1 0 331.303 3.266 20 5 EGBDRM CN(C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)[C@H]1CCc2ccccc21 ZINC000237290960 455169408 /nfs/dbraw/zinc/16/94/08/455169408.db2.gz DHPCUCGSBDURME-INIZCTEOSA-N -1 0 340.335 3.053 20 5 EGBDRM Cc1cc(F)cc(NS(=O)(=O)CCc2ccccc2[N+](=O)[O-])c1 ZINC000157371977 455188714 /nfs/dbraw/zinc/18/87/14/455188714.db2.gz SVJKXBAPMNIWTM-UHFFFAOYSA-N -1 0 338.360 3.027 20 5 EGBDRM CCCN1Cc2cccc(NC(=O)c3cc([N+](=O)[O-])ccc3[O-])c2C1 ZINC000181968704 455406037 /nfs/dbraw/zinc/40/60/37/455406037.db2.gz SRGAQKUMPONCEE-UHFFFAOYSA-N -1 0 341.367 3.278 20 5 EGBDRM C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000182033717 455421113 /nfs/dbraw/zinc/42/11/13/455421113.db2.gz YLBCMLXIDKVVCA-YPMHNXCESA-N -1 0 344.342 3.458 20 5 EGBDRM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CCCCC[C@H]1c1ccncc1 ZINC000184658544 455422785 /nfs/dbraw/zinc/42/27/85/455422785.db2.gz SMSZIVSNTRVEEQ-INIZCTEOSA-N -1 0 341.367 3.453 20 5 EGBDRM C[C@@H]1CN(C)c2ccccc2N(C(=O)c2ccc([N+](=O)[O-])cc2[O-])C1 ZINC000184818227 455453270 /nfs/dbraw/zinc/45/32/70/455453270.db2.gz VIPXLHREYOZLMS-GFCCVEGCSA-N -1 0 341.367 3.033 20 5 EGBDRM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1C[C@@H]2CCC(=O)c3cccc1c32 ZINC000185816028 455627853 /nfs/dbraw/zinc/62/78/53/455627853.db2.gz RQCSMTXACLSZFS-NSHDSACASA-N -1 0 338.319 3.021 20 5 EGBDRM Cc1cc(C)c([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC000192731588 455680499 /nfs/dbraw/zinc/68/04/99/455680499.db2.gz ARHPRJFBNKOGQS-UHFFFAOYSA-N -1 0 342.323 3.291 20 5 EGBDRM O=C(Cn1c2ccccc2c(=O)c2ccccc21)[N-]OC1CCCC1 ZINC000272060022 455835256 /nfs/dbraw/zinc/83/52/56/455835256.db2.gz CATKXYHYJJARSL-UHFFFAOYSA-N -1 0 336.391 3.145 20 5 EGBDRM COc1ccccc1C[C@H](C)N(C)C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000272561877 455993912 /nfs/dbraw/zinc/99/39/12/455993912.db2.gz QUDJZLYWLNKXIW-LBPRGKRZSA-N -1 0 344.367 3.012 20 5 EGBDRM O=C([O-])c1cc(C(=O)N2CCC[C@@H]2c2cccs2)cc([N+](=O)[O-])c1 ZINC000262110911 455999557 /nfs/dbraw/zinc/99/95/57/455999557.db2.gz AYENKZTVRSUJNV-CYBMUJFWSA-N -1 0 346.364 3.332 20 5 EGBDRM O=C(N[C@@H]1CCC[C@H]1c1ccccc1)c1cccc([O-])c1[N+](=O)[O-] ZINC000286362219 456033727 /nfs/dbraw/zinc/03/37/27/456033727.db2.gz DNJPLKUDRODUSP-DZGCQCFKSA-N -1 0 326.352 3.367 20 5 EGBDRM Cc1oc(CN(C)C(=O)c2cc([N+](=O)[O-])c(C)cc2C)cc1C(=O)[O-] ZINC000263161343 456103233 /nfs/dbraw/zinc/10/32/33/456103233.db2.gz IJBXPUPRMPTFTJ-UHFFFAOYSA-N -1 0 346.339 3.083 20 5 EGBDRM C[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000263294603 456119747 /nfs/dbraw/zinc/11/97/47/456119747.db2.gz ZISRRGSMCTTZPE-YPMHNXCESA-N -1 0 348.399 3.218 20 5 EGBDRM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CCC(c2ccsc2)CC1 ZINC000188714256 456120107 /nfs/dbraw/zinc/12/01/07/456120107.db2.gz LSJWNPVQAIKIKT-UHFFFAOYSA-N -1 0 332.381 3.382 20 5 EGBDRM CCCN(Cc1ccccc1)C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000236730196 456176469 /nfs/dbraw/zinc/17/64/69/456176469.db2.gz HUSBNPYVZWYRNB-UHFFFAOYSA-N -1 0 342.351 3.345 20 5 EGBDRM O=C(c1ccc([N+](=O)[O-])cc1[O-])N(CC1CCC1)CC(F)(F)F ZINC000273221440 456220131 /nfs/dbraw/zinc/22/01/31/456220131.db2.gz MYUNOLMBTYDEJN-UHFFFAOYSA-N -1 0 332.278 3.105 20 5 EGBDRM CC[C@H](NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)c1ccc(C)cc1 ZINC000237047154 456224977 /nfs/dbraw/zinc/22/49/77/456224977.db2.gz KQQGOHZOZYJDLJ-INIZCTEOSA-N -1 0 342.351 3.483 20 5 EGBDRM O=C([O-])CCc1cccc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c1 ZINC000327432660 456706159 /nfs/dbraw/zinc/70/61/59/456706159.db2.gz DYVVQAPIGKXHSK-UXBLZVDNSA-N -1 0 340.335 3.264 20 5 EGBDRM O=C(Nc1nc(CC(F)(F)F)cs1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000341307651 456839651 /nfs/dbraw/zinc/83/96/51/456839651.db2.gz SDNJPJQWAKAJIP-UHFFFAOYSA-N -1 0 347.274 3.114 20 5 EGBDRM CC[C@@H](CO)N(Cc1ccccc1)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000339085385 456933802 /nfs/dbraw/zinc/93/38/02/456933802.db2.gz VGAGIWUROWBETA-INIZCTEOSA-N -1 0 330.384 3.074 20 5 EGBDRM CC(C)N(C)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000339200185 456988524 /nfs/dbraw/zinc/98/85/24/456988524.db2.gz OGLGTMZZHOZGLJ-UHFFFAOYSA-N -1 0 329.356 3.397 20 5 EGBDRM Cc1cccc2c(CCNC(=O)c3cc([O-])cc([N+](=O)[O-])c3)c[nH]c21 ZINC000356601897 457078469 /nfs/dbraw/zinc/07/84/69/457078469.db2.gz UDLUYCATJHRRAX-UHFFFAOYSA-N -1 0 339.351 3.063 20 5 EGBDRM Cc1csc([C@H]2CCCCN2C(=O)c2cc([O-])cc([N+](=O)[O-])c2)n1 ZINC000331906833 457271052 /nfs/dbraw/zinc/27/10/52/457271052.db2.gz MLZJAAPSUSGXHW-CQSZACIVSA-N -1 0 347.396 3.433 20 5 EGBDRM Cc1csc([C@@H]2CCCN(C(=O)c3cc([O-])cc([N+](=O)[O-])c3)C2)n1 ZINC000332289118 457342984 /nfs/dbraw/zinc/34/29/84/457342984.db2.gz JECWYJQICCAMDK-LLVKDONJSA-N -1 0 347.396 3.085 20 5 EGBDRM O=C(N[C@H]1C[C@H](c2cccc(F)c2)C1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000373867419 457375373 /nfs/dbraw/zinc/37/53/73/457375373.db2.gz ACMQQBIMUFGKGK-MQMHXKEQSA-N -1 0 330.315 3.116 20 5 EGBDRM O=C(NC1(Cc2ccccc2)CCC1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000357341643 457461122 /nfs/dbraw/zinc/46/11/22/457461122.db2.gz HQTBDGHNEHIHNU-UHFFFAOYSA-N -1 0 326.352 3.196 20 5 EGBDRM CSc1ccc(C)c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000342785177 457525812 /nfs/dbraw/zinc/52/58/12/457525812.db2.gz SFOKINDQDLPYPM-UHFFFAOYSA-N -1 0 338.410 3.426 20 5 EGBDRM CCC1(c2ccccc2)CN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000458222560 457976113 /nfs/dbraw/zinc/97/61/13/457976113.db2.gz WMBHQWJCOFAVBC-UHFFFAOYSA-N -1 0 326.352 3.104 20 5 EGBDRM CSc1cccc(C(=O)Nc2cc(C(C)=O)ccc2[O-])c1[N+](=O)[O-] ZINC000362412078 458160859 /nfs/dbraw/zinc/16/08/59/458160859.db2.gz RKCMCSXOXBNQDB-UHFFFAOYSA-N -1 0 346.364 3.477 20 5 EGBDRM CCC(=O)c1ccc([O-])c(NC(=O)CCc2cccc([N+](=O)[O-])c2)c1 ZINC000436652301 458353763 /nfs/dbraw/zinc/35/37/63/458353763.db2.gz LUDGNIWUVXRRPF-UHFFFAOYSA-N -1 0 342.351 3.464 20 5 EGBDRM O=C(NCCCc1c[nH]c2ccccc12)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436665140 458355435 /nfs/dbraw/zinc/35/54/35/458355435.db2.gz NSCLOAAGVIXQHN-UHFFFAOYSA-N -1 0 339.351 3.144 20 5 EGBDRM O=C(N[C@H]1CCSc2ccc(F)cc21)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436672587 458357085 /nfs/dbraw/zinc/35/70/85/458357085.db2.gz FHCGSLWHOPIYEI-ZDUSSCGKSA-N -1 0 348.355 3.406 20 5 EGBDRM CN(Cc1c(F)cccc1Cl)C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000436745655 458372413 /nfs/dbraw/zinc/37/24/13/458372413.db2.gz AGVBPQGXJNWDEB-UHFFFAOYSA-N -1 0 338.722 3.365 20 5 EGBDRM COc1ccc(CC[C@@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2[O-])cc1 ZINC000436867618 458396556 /nfs/dbraw/zinc/39/65/56/458396556.db2.gz DNOCINZKWKCRDT-GFCCVEGCSA-N -1 0 344.367 3.060 20 5 EGBDRM CC1(C)CN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)Cc2ccccc2O1 ZINC000436923602 458406516 /nfs/dbraw/zinc/40/65/16/458406516.db2.gz CVPQPUWJYDHFDS-UHFFFAOYSA-N -1 0 342.351 3.114 20 5 EGBDRM CC(C)OCc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])c1 ZINC000436958448 458413401 /nfs/dbraw/zinc/41/34/01/458413401.db2.gz AYHMBGOLBOTXAQ-UHFFFAOYSA-N -1 0 330.340 3.478 20 5 EGBDRM O=C(N[C@@H]1CCCOc2c(F)cccc21)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436960839 458413550 /nfs/dbraw/zinc/41/35/50/458413550.db2.gz RSOGQWAMDHQDAF-CQSZACIVSA-N -1 0 346.314 3.083 20 5 EGBDRM O=C(NCc1ccc(-c2ccncc2)cc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436962807 458413836 /nfs/dbraw/zinc/41/38/36/458413836.db2.gz FKFRHBPLYLJZNF-UHFFFAOYSA-N -1 0 349.346 3.292 20 5 EGBDRM CSc1ccc(F)cc1CNC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436983531 458416507 /nfs/dbraw/zinc/41/65/07/458416507.db2.gz XGBDDQVOLXKWQH-UHFFFAOYSA-N -1 0 336.344 3.091 20 5 EGBDRM O=C(NC[C@@H]1CCC[C@H](C(F)(F)F)C1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436978900 458417003 /nfs/dbraw/zinc/41/70/03/458417003.db2.gz WUUITWHVMWLZGU-KOLCDFICSA-N -1 0 346.305 3.399 20 5 EGBDRM O=C(N[C@H]1CC[C@H](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000438678346 458609744 /nfs/dbraw/zinc/60/97/44/458609744.db2.gz KJPFBWGWDWRGJC-ZBFHGGJFSA-N -1 0 340.379 3.442 20 5 EGBDRM O=[N+]([O-])c1cc(F)cc([N-]S(=O)(=O)c2ccc(F)cc2Cl)c1 ZINC000475825905 458967401 /nfs/dbraw/zinc/96/74/01/458967401.db2.gz MXIOCDLUCFBSDG-UHFFFAOYSA-N -1 0 348.714 3.327 20 5 EGBDRM C[C@H]1CCN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C[C@H]1C(=O)[O-] ZINC000577179128 458992087 /nfs/dbraw/zinc/99/20/87/458992087.db2.gz SKVBNGYAVWJRNW-WCQYABFASA-N -1 0 348.399 3.075 20 5 EGBDRM CN(Cc1nc2c(s1)CCCC2)c1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000567977751 459199718 /nfs/dbraw/zinc/19/97/18/459199718.db2.gz LISSAKVPHVHRBL-UHFFFAOYSA-N -1 0 347.396 3.265 20 5 EGBDRM CCC[C@@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1OC)C(C)(C)C ZINC000590761510 459207817 /nfs/dbraw/zinc/20/78/17/459207817.db2.gz GURAHTMXFUSBIJ-CYBMUJFWSA-N -1 0 344.433 3.097 20 5 EGBDRM CC(C)c1ccc(C(=O)N[C@H]2CCC[C@@]2(C)C(=O)[O-])cc1[N+](=O)[O-] ZINC000595248736 459262834 /nfs/dbraw/zinc/26/28/34/459262834.db2.gz CAPARKXRGXMUIS-WMLDXEAASA-N -1 0 334.372 3.091 20 5 EGBDRM CC(C)c1ccc(C(=O)N[C@@H]2CCC[C@@]2(C)C(=O)[O-])cc1[N+](=O)[O-] ZINC000595248735 459262853 /nfs/dbraw/zinc/26/28/53/459262853.db2.gz CAPARKXRGXMUIS-RHSMWYFYSA-N -1 0 334.372 3.091 20 5 EGBDRM C[C@@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CC[C@@H]1C(=O)[O-] ZINC000595279489 459266524 /nfs/dbraw/zinc/26/65/24/459266524.db2.gz QVDIVQIGUSSYES-SKDRFNHKSA-N -1 0 346.305 3.156 20 5 EGBDRM COc1ccccc1[C@@H]1CCN(c2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC000582184221 459323115 /nfs/dbraw/zinc/32/31/15/459323115.db2.gz QUVVSJWRKUWIQM-CYBMUJFWSA-N -1 0 342.351 3.296 20 5 EGBDRM O=C(NC[C@H]1CCCC[C@@H]1C(F)(F)F)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000483113823 459340577 /nfs/dbraw/zinc/34/05/77/459340577.db2.gz BLUYDFBBNNVBHS-MNOVXSKESA-N -1 0 346.305 3.399 20 5 EGBDRM O=c1[nH]ccc(N[C@@H]2CCO[C@H](c3ccc(F)cc3)C2)c1[N+](=O)[O-] ZINC000596196931 459557367 /nfs/dbraw/zinc/55/73/67/459557367.db2.gz CMTSWJNPOSYPDJ-OCCSQVGLSA-N -1 0 333.319 3.167 20 5 EGBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N[C@@H]2CCO[C@@H](c3ccccc3)C2)n1 ZINC000592978375 459727201 /nfs/dbraw/zinc/72/72/01/459727201.db2.gz UVRWEUYNFYSZKP-IUODEOHRSA-N -1 0 343.339 3.020 20 5 EGBDRM Cc1sc([C@H]2CCCN2c2cc(C)c([N+](=O)[O-])cn2)nc1C(=O)[O-] ZINC000592981112 459729265 /nfs/dbraw/zinc/72/92/65/459729265.db2.gz CENADZZAKOWYMJ-SNVBAGLBSA-N -1 0 348.384 3.103 20 5 EGBDRM CC(C)(C(=O)[O-])[C@H]1CCCN(c2nccc3c2cccc3[N+](=O)[O-])C1 ZINC000592981139 459729564 /nfs/dbraw/zinc/72/95/64/459729564.db2.gz HAWVIPKOPJBCHH-LBPRGKRZSA-N -1 0 343.383 3.470 20 5 EGBDRM CC(=O)c1cc(N2CCC[C@@H](C(C)(C)C(=O)[O-])C2)ccc1[N+](=O)[O-] ZINC000592981179 459729831 /nfs/dbraw/zinc/72/98/31/459729831.db2.gz NADFCMVMYOLBOJ-GFCCVEGCSA-N -1 0 334.372 3.125 20 5 EGBDRM O=C([O-])c1ccnc(NC[C@@H](c2ccccc2)C2CC2)c1[N+](=O)[O-] ZINC000563210362 459738546 /nfs/dbraw/zinc/73/85/46/459738546.db2.gz ZGPBYWHKDPQJIN-AWEZNQCLSA-N -1 0 327.340 3.294 20 5 EGBDRM Cc1ccc([N-]S(=O)(=O)c2cccc3c2OCCC3)cc1[N+](=O)[O-] ZINC000593188244 459801393 /nfs/dbraw/zinc/80/13/93/459801393.db2.gz ZVCICGUVUAZDSB-UHFFFAOYSA-N -1 0 348.380 3.029 20 5 EGBDRM CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCC[C@H]1CC(=O)[O-] ZINC000593290758 459830970 /nfs/dbraw/zinc/83/09/70/459830970.db2.gz OSMOUWOHBKOPQQ-AWEZNQCLSA-N -1 0 336.388 3.211 20 5 EGBDRM Cc1sc(S(=O)(=O)[N-]c2cncc3ccccc32)cc1[N+](=O)[O-] ZINC000545933412 459874240 /nfs/dbraw/zinc/87/42/40/459874240.db2.gz MNSKZYMRFOHXGA-UHFFFAOYSA-N -1 0 349.393 3.314 20 5 EGBDRM O=C([O-])c1ccc([N+](=O)[O-])c(CN2Cc3ccccc3C3(CC3)C2)c1 ZINC000593738482 459968998 /nfs/dbraw/zinc/96/89/98/459968998.db2.gz SXZZXTPKIYOKAP-UHFFFAOYSA-N -1 0 338.363 3.340 20 5 EGBDRM C/C=C\c1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)cc1 ZINC000588853526 459993455 /nfs/dbraw/zinc/99/34/55/459993455.db2.gz HJKNFJIXCBRUTP-ARJAWSKDSA-N -1 0 348.380 3.437 20 5 EGBDRM COc1ccc(CC(=O)Nc2cccc(Cl)c2[O-])cc1[N+](=O)[O-] ZINC000609921592 460040137 /nfs/dbraw/zinc/04/01/37/460040137.db2.gz PUUDEAKGDGTFAZ-UHFFFAOYSA-N -1 0 336.731 3.144 20 5 EGBDRM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CCC(c2ccccc2F)CC1 ZINC000610880985 460255212 /nfs/dbraw/zinc/25/52/12/460255212.db2.gz XMYYPWQNYIVKPE-UHFFFAOYSA-N -1 0 344.342 3.459 20 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/nfs/dbraw/zinc/11/64/42/535116442.db2.gz DFWICLCYVNOEPQ-UHFFFAOYSA-N -1 0 348.380 3.405 20 5 EGBDRM CCc1ncc(S(=O)(=O)[N-]c2cc(C)c([N+](=O)[O-])cc2C)s1 ZINC000352882451 547689370 /nfs/dbraw/zinc/68/93/70/547689370.db2.gz IYZFPHRFCWTFED-UHFFFAOYSA-N -1 0 341.414 3.031 20 5 EGBDRM O=C([O-])[C@@H](OC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)c1ccccc1 ZINC000740296586 574672027 /nfs/dbraw/zinc/67/20/27/574672027.db2.gz AEIAOABFJYYODP-ZDUSSCGKSA-N -1 0 335.699 3.231 20 5 EGBDRM C[C@H](OC(=O)c1ccc([N+](=O)[O-])[n-]1)c1ccc(OC(F)F)cc1 ZINC000734731050 575543892 /nfs/dbraw/zinc/54/38/92/575543892.db2.gz WKIUJSCJDNPBQJ-QMMMGPOBSA-N -1 0 326.255 3.442 20 5 EGBDRM CC(=O)c1cc(C(=O)[O-])ccc1OC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000736190215 575910191 /nfs/dbraw/zinc/91/01/91/575910191.db2.gz RPXCYNMHPWZSID-UHFFFAOYSA-N -1 0 343.291 3.023 20 5 EGBDRM CC(C)(CC(=O)[O-])[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000736316819 575933417 /nfs/dbraw/zinc/93/34/17/575933417.db2.gz ATGIFZFYEGCJHI-UHFFFAOYSA-N -1 0 335.385 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ULYGMEWKHXLSOE-VIFPVBQESA-N -1 0 349.295 3.121 20 5 EGBDRM C[C@H]1C[C@@H](CNc2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])CCO1 ZINC000833598828 604837130 /nfs/dbraw/zinc/83/71/30/604837130.db2.gz XFDZCTSFPFPETF-IUCAKERBSA-N -1 0 328.752 3.173 20 5 EGBDRM C[C@H](Nc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-])c1cncc(F)c1 ZINC000833524686 605079201 /nfs/dbraw/zinc/07/92/01/605079201.db2.gz HZFVFQQJAOGKHI-GFAPAMAISA-N -1 0 331.303 3.400 20 5 EGBDRM CC(C)(C)Oc1ccc(CNc2cc(C(=O)[O-])ccc2[N+](=O)[O-])cn1 ZINC000833447687 605196421 /nfs/dbraw/zinc/19/64/21/605196421.db2.gz OOCCWPOTQYRTRD-UHFFFAOYSA-N -1 0 345.355 3.477 20 5 EGBDRM C/C(=C\C(=O)Oc1ccc(C(=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 ZINC000833381667 605320479 /nfs/dbraw/zinc/32/04/79/605320479.db2.gz CSKXBDAUKHHJIR-ZHACJKMWSA-N -1 0 327.292 3.302 20 5 EGBDRM C/C(=C/C(=O)Nc1cc(C(=O)[O-])ccc1F)c1ccc([N+](=O)[O-])cc1 ZINC000833383129 605333008 /nfs/dbraw/zinc/33/30/08/605333008.db2.gz RSSPJVIBQNEFGU-NTMALXAHSA-N -1 0 344.298 3.474 20 5 EGBDRM C/C(=C/C(=O)Nc1sccc1C(=O)[O-])c1ccc([N+](=O)[O-])cc1 ZINC000833383499 605337281 /nfs/dbraw/zinc/33/72/81/605337281.db2.gz OBGZVOAUKUGHQQ-HJWRWDBZSA-N -1 0 332.337 3.397 20 5 EGBDRM C/C(=C\C(=O)N[C@H](C(=O)[O-])c1cccs1)c1ccc([N+](=O)[O-])cc1 ZINC000833382405 605342590 /nfs/dbraw/zinc/34/25/90/605342590.db2.gz MZYPCZUNIRKTLN-FEAKQIBJSA-N -1 0 346.364 3.002 20 5 EGBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1ccc([N+](=O)[O-])cc1Cl ZINC000059354244 1291913975 /nfs/dbraw/zinc/91/39/75/1291913975.db2.gz SWDMHPDZHRVWTJ-UHFFFAOYSA-N -1 0 337.675 3.114 20 5 EGBDRM O=[N+]([O-])c1ccc(F)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1F ZINC000077688217 1292481719 /nfs/dbraw/zinc/48/17/19/1292481719.db2.gz DPRYVCYVUKACEO-UHFFFAOYSA-N -1 0 348.714 3.327 20 5 EGBDRM Cc1ccc(F)cc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1F ZINC000078824430 1292529676 /nfs/dbraw/zinc/52/96/76/1292529676.db2.gz LVZHSUQFUNISJC-UHFFFAOYSA-N -1 0 342.323 3.291 20 5 EGBDRM Cc1ccncc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000085235350 1292718466 /nfs/dbraw/zinc/71/84/66/1292718466.db2.gz CIJUKAFTZOYOTO-UHFFFAOYSA-N -1 0 341.776 3.061 20 5 EGBDRM CSc1ccc([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)cc1 ZINC000120132467 1293306245 /nfs/dbraw/zinc/30/62/45/1293306245.db2.gz USKOCDLBSBNDEC-UHFFFAOYSA-N -1 0 330.412 3.179 20 5 EGBDRM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]c1cc(F)ccc1Cl ZINC000171091047 1294393991 /nfs/dbraw/zinc/39/39/91/1294393991.db2.gz PGEQTBZLYGABOC-UHFFFAOYSA-N -1 0 348.714 3.327 20 5 EGBDRM O=C(Cc1ccc(Cl)cn1)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000340001685 1297307771 /nfs/dbraw/zinc/30/77/71/1297307771.db2.gz ADFNZTQZNZHVNQ-UHFFFAOYSA-N -1 0 342.138 3.183 20 5 EGBDRM Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)cc1N1CCCC1 ZINC000874945904 1298178908 /nfs/dbraw/zinc/17/89/08/1298178908.db2.gz PKSFGAPKVWHWCJ-UHFFFAOYSA-N -1 0 341.367 3.461 20 5 EGBDRM Cc1noc(C(F)F)c1C(=O)[N-]c1cc([N+](=O)[O-])c(F)cc1F ZINC000746403563 1298582820 /nfs/dbraw/zinc/58/28/20/1298582820.db2.gz BQDVNVIWMJBZFJ-UHFFFAOYSA-N -1 0 333.197 3.359 20 5 EGBDRM Nc1c(Cl)cc(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])cc1Cl ZINC000753798271 1300022586 /nfs/dbraw/zinc/02/25/86/1300022586.db2.gz IQMOGMWYCULQLX-UHFFFAOYSA-N -1 0 342.138 3.442 20 5 EGBDRM CNc1c(C(=O)Nc2ccc3[n-]c(=S)oc3c2)cccc1[N+](=O)[O-] ZINC000765587970 1302285745 /nfs/dbraw/zinc/28/57/45/1302285745.db2.gz CMLZGTFJMZJDLV-UHFFFAOYSA-N -1 0 344.352 3.319 20 5 EGBDRM CC(C)N(C)c1cccc(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)c1 ZINC000770417335 1303266119 /nfs/dbraw/zinc/26/61/19/1303266119.db2.gz STBXUBJZQBOQPL-UHFFFAOYSA-N -1 0 329.356 3.397 20 5 EGBDRM C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1[O-])c1nc2ccccc2s1 ZINC000773020398 1303610540 /nfs/dbraw/zinc/61/05/40/1303610540.db2.gz UDICPSDBSPVJLG-SECBINFHSA-N -1 0 343.364 3.401 20 5 EGBDRM O=C(Nc1cc(-c2ccccc2F)no1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780478584 1304698301 /nfs/dbraw/zinc/69/83/01/1304698301.db2.gz QSNBCTZLJWEHEA-UHFFFAOYSA-N -1 0 343.270 3.347 20 5 EGBDRM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]c2ccc(F)cc2)cc1Cl ZINC000798246759 1310326681 /nfs/dbraw/zinc/32/66/81/1310326681.db2.gz JTSYISBAXCLYTL-UHFFFAOYSA-N -1 0 348.714 3.327 20 5 EGBDRM C[C@@H](OC(=O)c1ccc([N+](=O)[O-])[n-]1)c1nccn1-c1ccccc1 ZINC000803073586 1317079104 /nfs/dbraw/zinc/07/91/04/1317079104.db2.gz VRZCXXVZDGCEFK-LLVKDONJSA-N -1 0 326.312 3.027 20 5 EGBDRM COc1cccc(C(=O)Nc2cc(Cl)c([O-])cc2F)c1[N+](=O)[O-] ZINC000805260557 1317335995 /nfs/dbraw/zinc/33/59/95/1317335995.db2.gz VGLAPWPRPSUENP-UHFFFAOYSA-N -1 0 340.694 3.354 20 5 EGBDRM C[C@@H]1C[C@H](c2cccc(F)c2)N(c2nccc(C(=O)[O-])c2[N+](=O)[O-])C1 ZINC000910357098 1318614670 /nfs/dbraw/zinc/61/46/70/1318614670.db2.gz RPGGYHCBHXDDKG-QMTHXVAHSA-N -1 0 345.330 3.415 20 5 EGBDRM CC(C)(C(=O)[N-]OCc1ccc(F)cc1)c1ccccc1[N+](=O)[O-] ZINC000816098765 1319099114 /nfs/dbraw/zinc/09/91/14/1319099114.db2.gz ACSJGBJVZFPISN-UHFFFAOYSA-N -1 0 332.331 3.260 20 5 EGBDRM O=C([O-])CC1(CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CCC1 ZINC000817570810 1319399643 /nfs/dbraw/zinc/39/96/43/1319399643.db2.gz KFIFCAXZNPNXJU-UHFFFAOYSA-N -1 0 326.736 3.222 20 5 EGBDRM O=C(OCc1nc(-c2ccccc2)cs1)c1ccc([N+](=O)[O-])[n-]1 ZINC000917950324 1319891713 /nfs/dbraw/zinc/89/17/13/1319891713.db2.gz BKVCHFUMEWLPNP-UHFFFAOYSA-N -1 0 329.337 3.403 20 5 EGBDRM Cc1cc(C)n(-c2ccc(COC(=O)c3ccc([N+](=O)[O-])[n-]3)cc2)n1 ZINC000918497979 1319958724 /nfs/dbraw/zinc/95/87/24/1319958724.db2.gz ISMACIMHGGAAER-UHFFFAOYSA-N -1 0 340.339 3.082 20 5 EGBDRM COc1ccc([N+](=O)[O-])cc1COC(=O)c1ccc([O-])c(Cl)c1 ZINC000848950631 1322051176 /nfs/dbraw/zinc/05/11/76/1322051176.db2.gz LKXNKFIBPLKERW-UHFFFAOYSA-N -1 0 337.715 3.319 20 5 EGBDRM COc1cc(CNc2cccc3oc(C)nc32)cc([N+](=O)[O-])c1[O-] ZINC000864014075 1329593753 /nfs/dbraw/zinc/59/37/53/1329593753.db2.gz GBDGGTCCJLBVGR-UHFFFAOYSA-N -1 0 329.312 3.371 20 5 EGBDRM Cc1nc(Nc2ccc([O-])c([N+](=O)[O-])c2)nc(C)c1Br ZINC001210393243 1372341771 /nfs/dbraw/zinc/34/17/71/1372341771.db2.gz WJXGDJOHVPVSTB-UHFFFAOYSA-N -1 0 339.149 3.213 20 5 EGBDRM O=[N+]([O-])c1cc(Nc2c(F)cccc2N2CCOCC2)ccc1[O-] ZINC001210397551 1372342693 /nfs/dbraw/zinc/34/26/93/1372342693.db2.gz AMTSIMILIGTQEL-UHFFFAOYSA-N -1 0 333.319 3.020 20 5 EGBDRM COc1c(F)ccc(-c2noc(-c3cc([O-])ccc3[N+](=O)[O-])n2)c1F ZINC001216678704 1373330594 /nfs/dbraw/zinc/33/05/94/1373330594.db2.gz RFYHXAULHOFRKK-UHFFFAOYSA-N -1 0 349.249 3.304 20 5 EGBDRM COc1cc(-c2noc(-c3cc([O-])ccc3[N+](=O)[O-])n2)ccc1C ZINC001216678864 1373330807 /nfs/dbraw/zinc/33/08/07/1373330807.db2.gz VAUHJBOEJAGJTP-UHFFFAOYSA-N -1 0 327.296 3.334 20 5 EGBDRM COc1cc(-c2nc(-c3cccc(C)c3)no2)cc([N+](=O)[O-])c1[O-] ZINC001216837024 1373349226 /nfs/dbraw/zinc/34/92/26/1373349226.db2.gz HXLIFCIRIXKKCU-UHFFFAOYSA-N -1 0 327.296 3.334 20 5 EGBDRM COc1cc(C)cc(-c2noc(-c3c([O-])cccc3[N+](=O)[O-])n2)c1 ZINC001216845492 1373350933 /nfs/dbraw/zinc/35/09/33/1373350933.db2.gz RLOCVFTZVQQBID-UHFFFAOYSA-N -1 0 327.296 3.334 20 5 EGBDRM COc1ccc(-c2noc(-c3ccc([O-])cc3[N+](=O)[O-])n2)c(F)c1 ZINC001216891436 1373359501 /nfs/dbraw/zinc/35/95/01/1373359501.db2.gz SEMUUPFGLUKDOP-UHFFFAOYSA-N -1 0 331.259 3.165 20 5 EGBDRM Cc1cc(-c2noc(-c3cc([N+](=O)[O-])c(C)cc3[O-])n2)cnc1C ZINC001216946686 1373368912 /nfs/dbraw/zinc/36/89/12/1373368912.db2.gz YIWUOYZOYQHYPO-UHFFFAOYSA-N -1 0 326.312 3.338 20 5 EGBDRM Cc1cnccc1-c1noc(-c2cc([O-])c(Cl)cc2[N+](=O)[O-])n1 ZINC001217101617 1373387436 /nfs/dbraw/zinc/38/74/36/1373387436.db2.gz VYQOFRPEFINFJA-UHFFFAOYSA-N -1 0 332.703 3.374 20 5 EGBDRM CC[C@@H](Oc1nc(SC)[n-]c(=O)c1[N+](=O)[O-])c1ccccc1F ZINC001227629313 1375456672 /nfs/dbraw/zinc/45/66/72/1375456672.db2.gz UWQKLUBEYSMOMU-SNVBAGLBSA-N -1 0 339.348 3.482 20 5 EGBDRM COC(=O)c1cc([N+](=O)[O-])c(O[C@@H]2CCc3c2cccc3C)cc1[O-] ZINC001228811146 1375684805 /nfs/dbraw/zinc/68/48/05/1375684805.db2.gz NJPQULOCIPCGER-MRXNPFEDSA-N -1 0 343.335 3.462 20 5 EGBDRM COC(=O)c1cc([N+](=O)[O-])c(OC2CCC(F)(F)CC2)cc1[O-] ZINC001228810360 1375685140 /nfs/dbraw/zinc/68/51/40/1375685140.db2.gz JQWYVGYBKMPVNE-UHFFFAOYSA-N -1 0 331.271 3.044 20 5 EGBDRM COc1ccc2c(c1)nc(=O)[n-]c2O[C@H](C)c1ccccc1[N+](=O)[O-] ZINC001229138307 1375771843 /nfs/dbraw/zinc/77/18/43/1375771843.db2.gz WJAIBTONHDOYJY-SNVBAGLBSA-N -1 0 341.323 3.392 20 5 EGBDRM Cc1cc([S-])ccc1O[C@H]1CCN(c2ccc([N+](=O)[O-])cn2)C1 ZINC001229636917 1375870187 /nfs/dbraw/zinc/87/01/87/1375870187.db2.gz IFXIGCAXKPSOEH-ZDUSSCGKSA-N -1 0 331.397 3.245 20 5 EGBDRM O=C([O-])c1ccc(Nc2ccc(N3CCCCC3)nc2)cc1[N+](=O)[O-] ZINC001174502780 1385114342 /nfs/dbraw/zinc/11/43/42/1385114342.db2.gz HJTHNPSTNYWPHS-UHFFFAOYSA-N -1 0 342.355 3.422 20 5 EGBDRM CCc1c(C)sc(Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1C(N)=O ZINC001176672550 1385654186 /nfs/dbraw/zinc/65/41/86/1385654186.db2.gz LHSHNPRWUBOCKL-UHFFFAOYSA-N -1 0 349.368 3.068 20 5 EGBDRM O=C([O-])c1cc(Nc2cccnc2C(F)(F)F)cc([N+](=O)[O-])c1 ZINC001176672959 1385654676 /nfs/dbraw/zinc/65/46/76/1385654676.db2.gz QAVJAKJYEWURCX-UHFFFAOYSA-N -1 0 327.218 3.450 20 5 EGBDRM Nc1cc(Cl)cc2ccn(-c3cc(C(=O)[O-])cc([N+](=O)[O-])c3)c21 ZINC001176679865 1385656902 /nfs/dbraw/zinc/65/69/02/1385656902.db2.gz 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Cc1ccc([C@@H](C)N(C)c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1 ZINC000737318584 1442045011 /nfs/dbraw/zinc/04/50/11/1442045011.db2.gz BCXXKQIPEJCDFC-GFCCVEGCSA-N -1 0 338.371 3.281 20 5 EGBDRM O=[N+]([O-])c1cccc(CCNc2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC000826499337 1442135641 /nfs/dbraw/zinc/13/56/41/1442135641.db2.gz FDQYNLRERZYCDO-UHFFFAOYSA-N -1 0 344.762 3.083 20 5 EGBDRM CC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])c(C)c1 ZINC000735500060 1442157624 /nfs/dbraw/zinc/15/76/24/1442157624.db2.gz XDKVSZRFVCULRK-UHFFFAOYSA-N -1 0 339.311 3.078 20 5 EGBDRM CCS[C@@H]1CCCC[C@H]1Nc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC000825668986 1447154542 /nfs/dbraw/zinc/15/45/42/1447154542.db2.gz NSFWQZRZDOHEDR-TZMCWYRMSA-N -1 0 348.432 3.251 20 5 EGBDRM C/C(=C/C(=O)N[C@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1)C(C)(C)C ZINC000864176390 939255376 /nfs/dbraw/zinc/25/53/76/939255376.db2.gz RIGPIQUKRFDVKB-CCCPALQASA-N -1 0 334.372 3.003 20 5 EGBDRM CC(C)C[C@H](Nc1ccc([N+](=O)[O-])cc1Br)C(=O)[O-] ZINC000043596381 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ZINC000189233721 456261453 /nfs/dbraw/zinc/26/14/53/456261453.db2.gz WZDTUSAGQFRSLK-UHFFFAOYSA-N -1 0 338.360 3.460 20 5 EGBDRM CC1(C)[C@H](C(F)(F)F)CCN1C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000276369818 456459013 /nfs/dbraw/zinc/45/90/13/456459013.db2.gz QQAIYXNUQQCOAX-LLVKDONJSA-N -1 0 332.278 3.103 20 5 EGBDRM CC(C)(O)c1nnc(NCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)o1 ZINC000276505111 456500679 /nfs/dbraw/zinc/50/06/79/456500679.db2.gz YOVBBIIOYNHRGM-UHFFFAOYSA-N -1 0 344.327 3.077 20 5 EGBDRM O=C(CCCc1ccc(O)c(F)c1)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000345812547 456998964 /nfs/dbraw/zinc/99/89/64/456998964.db2.gz OFVMXZYLPYKJGL-UHFFFAOYSA-N -1 0 334.303 3.107 20 5 EGBDRM O=[N+]([O-])c1cccc([N-]S(=O)(=O)c2ccccc2-c2ccno2)c1 ZINC000354249867 457154421 /nfs/dbraw/zinc/15/44/21/457154421.db2.gz FJGMYKIACJTCFJ-UHFFFAOYSA-N -1 0 345.336 3.051 20 5 EGBDRM O=C(NC[C@H]1SCCc2ccccc21)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000356763195 457157404 /nfs/dbraw/zinc/15/74/04/457157404.db2.gz 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951304656 /nfs/dbraw/zinc/30/46/56/951304656.db2.gz IUDVNVLBLPYBSD-UHFFFAOYSA-N -1 0 330.340 3.233 20 5 EGBDRM CC(C)[C@H](CNc1c(Br)cccc1[N+](=O)[O-])C(=O)[O-] ZINC000697676201 954830115 /nfs/dbraw/zinc/83/01/15/954830115.db2.gz BINVBIBGYUSQJK-QMMMGPOBSA-N -1 0 331.166 3.126 20 5 EGBDRM O=C([O-])[C@@H]1CN(c2nccc3c2cccc3[N+](=O)[O-])Cc2ccccc21 ZINC001594954779 954980979 /nfs/dbraw/zinc/98/09/79/954980979.db2.gz XEJURWQKXJEWKO-MRXNPFEDSA-N -1 0 349.346 3.331 20 5 EGBDRM CC(C)C[C@H](CNc1nc2c(cc1[N+](=O)[O-])CCCC2)CC(=O)[O-] ZINC001603048135 972112647 /nfs/dbraw/zinc/11/26/47/972112647.db2.gz LWVGSLMQXFGUNW-LBPRGKRZSA-N -1 0 335.404 3.418 20 5 EGBDRM O=C([O-])/C=C/c1ccc(NCCc2cccc(F)c2)c([N+](=O)[O-])c1 ZINC000013212977 956981806 /nfs/dbraw/zinc/98/18/06/956981806.db2.gz QIJOHIVXWKHZDX-FNORWQNLSA-N -1 0 330.315 3.486 20 5 EGBDRM C[C@H](CSCc1ccc([N+](=O)[O-])cc1Br)C(=O)[O-] ZINC000086110199 957953067 /nfs/dbraw/zinc/95/30/67/957953067.db2.gz QURKGQCVFSJIDP-SSDOTTSWSA-N -1 0 334.191 3.311 20 5 EGBDRM C[C@@H](CC(=O)[O-])SCc1ccc([N+](=O)[O-])cc1Br ZINC000090098122 958089757 /nfs/dbraw/zinc/08/97/57/958089757.db2.gz KBHLCSBOACYHPK-ZETCQYMHSA-N -1 0 334.191 3.454 20 5 EGBDRM Cc1ccc(CN2CC[C@@H](C(=O)[O-])c3ccccc32)cc1[N+](=O)[O-] ZINC001594360327 958442250 /nfs/dbraw/zinc/44/22/50/958442250.db2.gz UMQYITJSFXDDMT-OAHLLOKOSA-N -1 0 326.352 3.482 20 5 EGBDRM Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](CCC(C)(C)C)C(=O)[O-] ZINC001594381396 958625621 /nfs/dbraw/zinc/62/56/21/958625621.db2.gz XUUCMZVGHXDIPM-GFCCVEGCSA-N -1 0 337.376 3.304 20 5 EGBDRM CC(C)Oc1cc(C(=O)Nc2ccccc2C(=O)[O-])ccc1[N+](=O)[O-] ZINC001573554964 959252463 /nfs/dbraw/zinc/25/24/63/959252463.db2.gz QEFCJIUSZHURLA-UHFFFAOYSA-N -1 0 344.323 3.333 20 5 EGBDRM Cc1c(Br)c(S[C@@H](C)CC(=O)[O-])ncc1[N+](=O)[O-] ZINC000165693306 959290429 /nfs/dbraw/zinc/29/04/29/959290429.db2.gz JGMHEUGTAYWRTG-YFKPBYRVSA-N -1 0 335.179 3.016 20 5 EGBDRM C[C@@H](C(=O)[O-])N(c1ccc([N+](=O)[O-])c(-c2ccccc2)n1)C1CC1 ZINC001588598028 959400320 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ZINC001592609800 978558030 /nfs/dbraw/zinc/55/80/30/978558030.db2.gz OHNGMLYAXXREFR-LBPRGKRZSA-N -1 0 332.331 3.461 20 5 EGBDRM CC[C@H](C)n1ncc(Nc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])c1C ZINC001595028633 979153245 /nfs/dbraw/zinc/15/32/45/979153245.db2.gz PICLEGGVHFNSCF-JTQLQIEISA-N -1 0 332.360 3.441 20 5 EGBDRM O=C([O-])Cc1ccc(N2CCC(CC(F)(F)F)CC2)c([N+](=O)[O-])c1 ZINC000844216011 979377822 /nfs/dbraw/zinc/37/78/22/979377822.db2.gz WRDSBMAEMNNNIG-UHFFFAOYSA-N -1 0 346.305 3.391 20 5 EGBDRM C[C@H](Cc1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)cc1)C(=O)[O-] ZINC001592859513 979683824 /nfs/dbraw/zinc/68/38/24/979683824.db2.gz UQXFBJLQKHVMDN-GFCCVEGCSA-N -1 0 342.351 3.039 20 5 EGBDRM C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])cc3ccccc32)[C@@H](C(=O)[O-])C1 ZINC000864146576 979751431 /nfs/dbraw/zinc/75/14/31/979751431.db2.gz VPVWPHQURZRCJP-MEDUHNTESA-N -1 0 342.351 3.073 20 5 EGBDRM CC[C@H](CNc1nccc(C(=O)[O-])c1[N+](=O)[O-])Oc1cccc(C)c1 ZINC001595176232 979763935 /nfs/dbraw/zinc/76/39/35/979763935.db2.gz 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343.335 3.436 20 5 EGBDRM O=C(COc1ccccc1F)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000180784176 455244376 /nfs/dbraw/zinc/24/43/76/455244376.db2.gz YJVFIGPOLISTAO-UHFFFAOYSA-N -1 0 340.694 3.110 20 5 EGBDRM COCCC1(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])CCC1 ZINC000180781114 455244453 /nfs/dbraw/zinc/24/44/53/455244453.db2.gz TWCJNUGGVMFLJC-UHFFFAOYSA-N -1 0 328.752 3.099 20 5 EGBDRM CCOc1cc(C[N@H+]2[C@H](C)C[C@@H](C(=O)[O-])C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000600674953 460565207 /nfs/dbraw/zinc/56/52/07/460565207.db2.gz NDACJEDARVJVDS-DABQJJPHSA-N -1 0 336.388 3.067 20 5 EGBDRM O=C([O-])c1ccnc(N[C@@H]2[C@H]3Cc4cc(Cl)ccc4[C@@H]23)c1[N+](=O)[O-] ZINC000600678682 460566590 /nfs/dbraw/zinc/56/65/90/460566590.db2.gz RQVYQSSHQGNDPM-YNEHKIRRSA-N -1 0 345.742 3.092 20 5 EGBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])C1(c2ccc(F)cc2)CCC1 ZINC000089531018 454159946 /nfs/dbraw/zinc/15/99/46/454159946.db2.gz FBNYZIPEXLJLEU-UHFFFAOYSA-N -1 0 330.315 3.500 20 5 EGBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1cc(-c2ccccc2)no1 ZINC000089531068 454159993 /nfs/dbraw/zinc/15/99/93/454159993.db2.gz YKVNOPCPTMQJHY-UHFFFAOYSA-N -1 0 325.280 3.208 20 5 EGBDRM O=C(Cc1c[nH]c2ccc(F)cc12)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000089541160 454160860 /nfs/dbraw/zinc/16/08/60/454160860.db2.gz DWNSTCSPQBFRNE-UHFFFAOYSA-N -1 0 329.287 3.102 20 5 EGBDRM C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000130358365 454193314 /nfs/dbraw/zinc/19/33/14/454193314.db2.gz PZZMMWHJGCSZCQ-VIFPVBQESA-N -1 0 336.294 3.412 20 5 EGBDRM Cc1cc(C)c(C(=O)N[C@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)s1 ZINC000600883447 460629364 /nfs/dbraw/zinc/62/93/64/460629364.db2.gz YFYTYYKIIMFWAK-INIZCTEOSA-N -1 0 348.380 3.003 20 5 EGBDRM Cc1cccc([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])c1 ZINC000131221890 454241362 /nfs/dbraw/zinc/24/13/62/454241362.db2.gz SOXPZSHGQZNHQQ-UHFFFAOYSA-N -1 0 326.761 3.357 20 5 EGBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1ccc(Br)s1 ZINC000059313403 454256726 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310492891 /nfs/dbraw/zinc/49/28/91/310492891.db2.gz ISGXXNFCCAKIRI-UHFFFAOYSA-N -1 0 326.352 3.104 20 5 EGBDRM O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(CN=c2[n-]nco2)cc1 ZINC000472579005 310767800 /nfs/dbraw/zinc/76/78/00/310767800.db2.gz NXEJSNXMJRUSQN-UHFFFAOYSA-N -1 0 346.730 3.458 20 5 EGBDRM Cc1ccccc1[C@H](NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)C1CC1 ZINC000490124349 311133669 /nfs/dbraw/zinc/13/36/69/311133669.db2.gz JLONHLFGFRTNAH-QGZVFWFLSA-N -1 0 326.352 3.490 20 5 EGBDRM O=C([O-])C[C@@H]1CCCN(c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000054297445 453922018 /nfs/dbraw/zinc/92/20/18/453922018.db2.gz CEOSJSUVHQWTJS-VIFPVBQESA-N -1 0 343.177 3.048 20 5 EGBDRM CCC[C@@H](Cc1ccccc1)NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000506208277 312044916 /nfs/dbraw/zinc/04/49/16/312044916.db2.gz HNRJQVVRNKHEPQ-HNNXBMFYSA-N -1 0 328.368 3.442 20 5 EGBDRM O=C([O-])c1cc(C(=O)N[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)cc([N+](=O)[O-])c1 ZINC000506774699 312054192 /nfs/dbraw/zinc/05/41/92/312054192.db2.gz HZNLCVAWYHGUMD-YWPYICTPSA-N -1 0 346.383 3.382 20 5 EGBDRM O=C([O-])c1ccnc(NC[C@H]2SCCc3ccccc32)c1[N+](=O)[O-] ZINC000514791690 312245827 /nfs/dbraw/zinc/24/58/27/312245827.db2.gz BZXSMOHMHHEAOH-CYBMUJFWSA-N -1 0 345.380 3.131 20 5 EGBDRM Cc1cccc(N2C[C@@H](C(=O)[O-])[C@@H](c3ccccc3)C2)c1[N+](=O)[O-] ZINC000517153594 312365657 /nfs/dbraw/zinc/36/56/57/312365657.db2.gz GQWLYHACWCXMFJ-HUUCEWRRSA-N -1 0 326.352 3.208 20 5 EGBDRM O=C([O-])C[C@@H]1CCCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1 ZINC000532677194 313828943 /nfs/dbraw/zinc/82/89/43/313828943.db2.gz IEABXGNCMBKJJN-JTQLQIEISA-N -1 0 348.380 3.136 20 5 EGBDRM C[C@]1(CNC(=O)c2ccc([N+](=O)[O-])c([O-])c2)CCCc2ccccc21 ZINC000540471970 314382414 /nfs/dbraw/zinc/38/24/14/314382414.db2.gz AJECXJNEOTZWRR-LJQANCHMSA-N -1 0 340.379 3.324 20 5 EGBDRM CCCCCc1n[n-]c(=NCc2ccc(OC)c([N+](=O)[O-])c2)s1 ZINC000540808343 314404823 /nfs/dbraw/zinc/40/48/23/314404823.db2.gz SRCKMDNPUAGPLN-UHFFFAOYSA-N -1 0 336.417 3.222 20 5 EGBDRM C[C@H]1c2c(F)cccc2CCN1C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000543739923 314652516 /nfs/dbraw/zinc/65/25/16/314652516.db2.gz OEPWKXQUKUXYBN-JTQLQIEISA-N -1 0 330.315 3.199 20 5 EGBDRM Cc1sc(S(=O)(=O)[N-]c2cccc3cc[nH]c32)cc1[N+](=O)[O-] ZINC000547822601 314943413 /nfs/dbraw/zinc/94/34/13/314943413.db2.gz SZBDUGPFJGGNEF-UHFFFAOYSA-N -1 0 337.382 3.247 20 5 EGBDRM COc1ccc(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)c2ncccc12 ZINC000548114118 314973909 /nfs/dbraw/zinc/97/39/09/314973909.db2.gz VKKAKMHTMUFBJM-UHFFFAOYSA-N -1 0 339.307 3.110 20 5 EGBDRM Cc1ccnc(NCc2ccc(OCCCC(=O)[O-])cc2)c1[N+](=O)[O-] ZINC000563215173 315979356 /nfs/dbraw/zinc/97/93/56/315979356.db2.gz YQTAPASZUBLWIM-UHFFFAOYSA-N -1 0 345.355 3.154 20 5 EGBDRM Cc1cnc([C@@H](Nc2nccc(C(=O)[O-])c2[N+](=O)[O-])C2CC2)s1 ZINC000563622630 316047756 /nfs/dbraw/zinc/04/77/56/316047756.db2.gz FDODNZOHDPHEBS-JTQLQIEISA-N -1 0 334.357 3.016 20 5 EGBDRM Cc1cc(N2CCC[C@@H]2c2nc(C(=O)[O-])cs2)ccc1[N+](=O)[O-] ZINC000570097699 317007140 /nfs/dbraw/zinc/00/71/40/317007140.db2.gz JTWFNIWEVALMQQ-CYBMUJFWSA-N -1 0 333.369 3.399 20 5 EGBDRM C[C@H]1CCCC[C@@H]1OCC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000570762850 317103298 /nfs/dbraw/zinc/10/32/98/317103298.db2.gz QSNHBKICDQXQJG-ZANVPECISA-N -1 0 342.779 3.488 20 5 EGBDRM C[C@@H]1C[C@H](c2ccccc2)CN1c1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000571049067 317144786 /nfs/dbraw/zinc/14/47/86/317144786.db2.gz CKUDPIINVQUHAB-YPMHNXCESA-N -1 0 327.340 3.070 20 5 EGBDRM CC(C)(CNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-])c1ccccn1 ZINC000571525520 317211936 /nfs/dbraw/zinc/21/19/36/317211936.db2.gz AHFFEXDNLWSRMH-UHFFFAOYSA-N -1 0 329.356 3.007 20 5 EGBDRM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@@H]1CCOc2ccccc21 ZINC000180786413 323455925 /nfs/dbraw/zinc/45/59/25/323455925.db2.gz WJTGLHFDKZUDCE-LLVKDONJSA-N -1 0 348.742 3.459 20 5 EGBDRM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1cnoc1-c1ccccc1 ZINC000182486351 323554556 /nfs/dbraw/zinc/55/45/56/323554556.db2.gz UJXYVQBTYSKKMT-UHFFFAOYSA-N -1 0 345.336 3.051 20 5 EGBDRM Cc1cc(N2CC[C@H](C(F)(F)F)[C@H]2C)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000582668984 325460584 /nfs/dbraw/zinc/46/05/84/325460584.db2.gz TXHCTLKEHRYPAW-SCZZXKLOSA-N -1 0 332.278 3.379 20 5 EGBDRM O=C([O-])C1(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCCCCC1 ZINC000238093695 455253546 /nfs/dbraw/zinc/25/35/46/455253546.db2.gz UEHWWCZXMMVQNV-UHFFFAOYSA-N -1 0 340.763 3.156 20 5 EGBDRM CC(C)c1ccc(CCNC(=O)c2ccc([N+](=O)[O-])c([O-])c2)cc1 ZINC000018011397 453641367 /nfs/dbraw/zinc/64/13/67/453641367.db2.gz YDPNFNUJNSFMLV-UHFFFAOYSA-N -1 0 328.368 3.396 20 5 EGBDRM CCOc1ccc([N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])cc1 ZINC000055547276 453993558 /nfs/dbraw/zinc/99/35/58/453993558.db2.gz WEADCAPCMODXGN-UHFFFAOYSA-N -1 0 336.369 3.103 20 5 EGBDRM Cc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000084919955 454015130 /nfs/dbraw/zinc/01/51/30/454015130.db2.gz ZMWNOIXQSNAIFL-UHFFFAOYSA-N -1 0 332.337 3.450 20 5 EGBDRM COc1ccccc1[C@H]1CCCN1C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000181972203 455407163 /nfs/dbraw/zinc/40/71/63/455407163.db2.gz XRSYKVODSMPRHK-OAHLLOKOSA-N -1 0 342.351 3.286 20 5 EGBDRM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]c2ccc3c(c2)COC3)c1C ZINC000132950018 454380683 /nfs/dbraw/zinc/38/06/83/454380683.db2.gz OUYXPZZZTADFKE-UHFFFAOYSA-N -1 0 348.380 3.043 20 5 EGBDRM Cc1ccccc1-c1cc(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)n[nH]1 ZINC000065318607 454552110 /nfs/dbraw/zinc/55/21/10/454552110.db2.gz KDORNMSFLZCBIN-UHFFFAOYSA-N -1 0 338.323 3.251 20 5 EGBDRM Cc1ccc([N-]S(=O)(=O)c2c(F)cc(F)cc2F)cc1[N+](=O)[O-] ZINC000135607642 454693811 /nfs/dbraw/zinc/69/38/11/454693811.db2.gz KQYRRHKRAFEVEB-UHFFFAOYSA-N -1 0 346.286 3.121 20 5 EGBDRM C[C@@]1(c2ccccc2)CN(Cc2cc([O-])ccc2[N+](=O)[O-])CCO1 ZINC000093341718 454705055 /nfs/dbraw/zinc/70/50/55/454705055.db2.gz AQBHWRXRQXSYGZ-SFHVURJKSA-N -1 0 328.368 3.048 20 5 EGBDRM Cc1nc2c(s1)[C@H](N(C)C(=O)c1cccc([N+](=O)[O-])c1[O-])CCC2 ZINC000137039287 454766558 /nfs/dbraw/zinc/76/65/58/454766558.db2.gz YQMSUOFZFSVCJD-CYBMUJFWSA-N -1 0 347.396 3.215 20 5 EGBDRM C[C@H](NC(=O)CCc1ccc(C(=O)[O-])cc1)c1cccc([N+](=O)[O-])c1 ZINC000137071078 454768390 /nfs/dbraw/zinc/76/83/90/454768390.db2.gz UQARIZBWVQJNJZ-LBPRGKRZSA-N -1 0 342.351 3.103 20 5 EGBDRM CSc1cccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)c1 ZINC000163909571 454868827 /nfs/dbraw/zinc/86/88/27/454868827.db2.gz GAFKZORRCCKTAZ-UHFFFAOYSA-N -1 0 344.439 3.487 20 5 EGBDRM COc1ccc(CC[C@@H](C)NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1 ZINC000164402631 454881275 /nfs/dbraw/zinc/88/12/75/454881275.db2.gz HVEJUAAFTNPDDR-GFCCVEGCSA-N -1 0 344.367 3.060 20 5 EGBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cc(F)cc(Cl)c2)cc1 ZINC000150750020 454886116 /nfs/dbraw/zinc/88/61/16/454886116.db2.gz HPRDQGHXNYTSLM-UHFFFAOYSA-N -1 0 330.724 3.188 20 5 EGBDRM COc1ccc([C@H]2CCCN2C(=O)c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000179398645 455044938 /nfs/dbraw/zinc/04/49/38/455044938.db2.gz ZWWNPPVJLCNSOL-MRXNPFEDSA-N -1 0 342.351 3.286 20 5 EGBDRM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]c2cc(Cl)ccn2)c1C ZINC000152300606 455099110 /nfs/dbraw/zinc/09/91/10/455099110.db2.gz KILNNJSSWSYQQQ-UHFFFAOYSA-N -1 0 341.776 3.061 20 5 EGBDRM CC[C@H](NC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1)c1cccc([N+](=O)[O-])c1 ZINC000180133698 455137467 /nfs/dbraw/zinc/13/74/67/455137467.db2.gz DWTXYJPAECTXIR-YDHLFZDLSA-N -1 0 334.372 3.053 20 5 EGBDRM Cc1nc2cc([N-]S(=O)(=O)c3ccc(C)cc3[N+](=O)[O-])ccc2o1 ZINC000158563014 455312746 /nfs/dbraw/zinc/31/27/46/455312746.db2.gz BRBMHCKLIRTBQJ-UHFFFAOYSA-N -1 0 347.352 3.154 20 5 EGBDRM Cc1c(NC(=O)c2cc(F)c(F)c([O-])c2F)cccc1[N+](=O)[O-] ZINC000184794667 455449251 /nfs/dbraw/zinc/44/92/51/455449251.db2.gz VYFGAWGQSDNASE-UHFFFAOYSA-N -1 0 326.230 3.278 20 5 EGBDRM O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ccc3ncsc3c2)c1 ZINC000194157738 455809627 /nfs/dbraw/zinc/80/96/27/455809627.db2.gz DUHCHACTXKAQHH-UHFFFAOYSA-N -1 0 335.366 3.005 20 5 EGBDRM C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000186806037 455838028 /nfs/dbraw/zinc/83/80/28/455838028.db2.gz OSRLRFRMILVIKD-YPMHNXCESA-N 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COc1cc(CNc2ccc(C(F)(F)F)nc2)cc([N+](=O)[O-])c1[O-] ZINC000353209116 456562574 /nfs/dbraw/zinc/56/25/74/456562574.db2.gz JVYYUEFBDKPNIB-UHFFFAOYSA-N -1 0 343.261 3.335 20 5 EGBDRM Cc1ccc(NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)cc1C(=O)[O-] ZINC000362777984 457089396 /nfs/dbraw/zinc/08/93/96/457089396.db2.gz YRIKJROBQQYHGV-UHFFFAOYSA-N -1 0 339.307 3.335 20 5 EGBDRM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CCc2ccc(Cl)cc2C1 ZINC000356733914 457141169 /nfs/dbraw/zinc/14/11/69/457141169.db2.gz UWXYLNMHNSOJGM-UHFFFAOYSA-N -1 0 332.743 3.152 20 5 EGBDRM C[C@H]1[C@H](C(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)CCN1c1ccccc1 ZINC000356913104 457215005 /nfs/dbraw/zinc/21/50/05/457215005.db2.gz HQCNFVLMOBJBCI-SWLSCSKDSA-N -1 0 341.367 3.154 20 5 EGBDRM O=C(Nc1cc(F)cc([N+](=O)[O-])c1)c1cc(F)c(F)c([O-])c1F ZINC000352184982 457346437 /nfs/dbraw/zinc/34/64/37/457346437.db2.gz YFOVWWPXYFNSRD-UHFFFAOYSA-N -1 0 330.193 3.109 20 5 EGBDRM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CCC[C@H]1c1ccc(F)cc1 ZINC000356315929 457569823 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CC(C)(C)Oc1cccc(CNc2cc(C(=O)[O-])ccc2[N+](=O)[O-])n1 ZINC000833447322 605194408 /nfs/dbraw/zinc/19/44/08/605194408.db2.gz RRGFNBLDNBWULX-UHFFFAOYSA-N -1 0 345.355 3.477 20 5 EGBDRM C/C(=C\C(=O)Nc1ccc(F)c(C(=O)[O-])c1)c1ccc([N+](=O)[O-])cc1 ZINC000833381247 605332461 /nfs/dbraw/zinc/33/24/61/605332461.db2.gz DJDOCMVAUALPJZ-CSKARUKUSA-N -1 0 344.298 3.474 20 5 EGBDRM Cc1ccc(F)c(S(=O)(=O)[N-]c2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000055558201 1291785148 /nfs/dbraw/zinc/78/51/48/1291785148.db2.gz VZCOFXDYAJODRB-UHFFFAOYSA-N -1 0 344.751 3.497 20 5 EGBDRM Cc1ccc([C@H](C)NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1[N+](=O)[O-] ZINC000119138924 1293256828 /nfs/dbraw/zinc/25/68/28/1293256828.db2.gz NANIQXOCYHTPJR-JTQLQIEISA-N -1 0 345.311 3.008 20 5 EGBDRM Cc1nc(C)c(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])c(Cl)c2)s1 ZINC000120176936 1293308974 /nfs/dbraw/zinc/30/89/74/1293308974.db2.gz GLBXXUVDQHIWJI-UHFFFAOYSA-N -1 0 347.805 3.122 20 5 EGBDRM CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)c1c([O-])cccc1F ZINC000121377541 1293368848 /nfs/dbraw/zinc/36/88/48/1293368848.db2.gz FCEVEJGTZUMQRA-UHFFFAOYSA-N -1 0 338.722 3.365 20 5 EGBDRM COc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc2[n-]c(=S)oc2c1 ZINC000158365331 1294203327 /nfs/dbraw/zinc/20/33/27/1294203327.db2.gz VHJRJIWAMUSNDY-UHFFFAOYSA-N -1 0 345.336 3.286 20 5 EGBDRM C[C@H]1CCCC[C@H]1NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000725816821 1298369255 /nfs/dbraw/zinc/36/92/55/1298369255.db2.gz ZFZOPWMJIFQTGR-GXSJLCMTSA-N -1 0 332.809 3.105 20 5 EGBDRM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@@H](F)Cc1ccccc1 ZINC000778420635 1304448870 /nfs/dbraw/zinc/44/88/70/1304448870.db2.gz ZIQPAYVKLNESQF-NSHDSACASA-N -1 0 338.722 3.473 20 5 EGBDRM CC[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1[O-])c1ccccc1OC ZINC000779655093 1304591160 /nfs/dbraw/zinc/59/11/60/1304591160.db2.gz LEIJPSPORVKZAX-AWEZNQCLSA-N -1 0 330.340 3.190 20 5 EGBDRM Cc1cccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)c1 ZINC000798246357 1310325964 /nfs/dbraw/zinc/32/59/64/1310325964.db2.gz BGQHTFMCPCIGHC-UHFFFAOYSA-N -1 0 344.751 3.497 20 5 EGBDRM COC(=O)c1sc(/C=C/c2cc([O-])ccc2[N+](=O)[O-])nc1Cl ZINC000799500078 1310562982 /nfs/dbraw/zinc/56/29/82/1310562982.db2.gz WKXQSKHNPNBBDE-GORDUTHDSA-N -1 0 340.744 3.367 20 5 EGBDRM Cc1c([N+](=O)[O-])ccc(F)c1[N-]C(=O)c1cc(-c2ccccn2)no1 ZINC000800147093 1310683201 /nfs/dbraw/zinc/68/32/01/1310683201.db2.gz NBXQZOQDDIVSMG-UHFFFAOYSA-N -1 0 342.286 3.345 20 5 EGBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N2CCC(c3ccc(F)cc3)CC2)n1 ZINC000844211761 1321579208 /nfs/dbraw/zinc/57/92/08/1321579208.db2.gz XLPINIQOZLPIFR-UHFFFAOYSA-N -1 0 345.330 3.211 20 5 EGBDRM COCc1cc([N+](=O)[O-])ccc1N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000844219700 1321579719 /nfs/dbraw/zinc/57/97/19/1321579719.db2.gz YFYMGRRNJPXKJF-CYBMUJFWSA-N -1 0 336.388 3.068 20 5 EGBDRM CCOC(=O)c1ccc(OC)cc1Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC001210398005 1372343260 /nfs/dbraw/zinc/34/32/60/1372343260.db2.gz MAMSJPPNUPMFFY-UHFFFAOYSA-N -1 0 332.312 3.229 20 5 EGBDRM O=C(Nc1ccn(C2CCCCC2)n1)c1ccc([N+](=O)[O-])c([O-])c1 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CC(C)C[C@@H](C)n1nccc1NC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000436789910 458380766 /nfs/dbraw/zinc/38/07/66/458380766.db2.gz FWGXSMLJBLEZDD-LLVKDONJSA-N -1 0 332.360 3.356 20 5 EGBDRM CC(C)Oc1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2[O-])cc1 ZINC000436861794 458394948 /nfs/dbraw/zinc/39/49/48/458394948.db2.gz VVNROWVTMZRJBR-UHFFFAOYSA-N -1 0 330.340 3.018 20 5 EGBDRM C[C@H]1CCc2ccccc2[C@H]1NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436973086 458415450 /nfs/dbraw/zinc/41/54/50/458415450.db2.gz RCXUYTKEVUPXKM-GTNSWQLSSA-N -1 0 326.352 3.354 20 5 EGBDRM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(F)c(F)c1 ZINC000519202799 458925989 /nfs/dbraw/zinc/92/59/89/458925989.db2.gz MEFVFQGEPFXOPL-UHFFFAOYSA-N -1 0 342.323 3.236 20 5 EGBDRM O=[N+]([O-])c1cc(F)cc([N-]S(=O)(=O)c2cc(F)cc(Cl)c2)c1 ZINC000475788929 458965907 /nfs/dbraw/zinc/96/59/07/458965907.db2.gz JQPTZPFGIRDPAW-UHFFFAOYSA-N -1 0 348.714 3.327 20 5 EGBDRM C[C@@H]1CCN(C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)[C@H]2CCCC[C@@H]12 ZINC000532005287 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CC(C)C[C@H](CNc1ccc([N+](=O)[O-])c(OC(F)F)c1)C(=O)[O-] ZINC000424372232 458627941 /nfs/dbraw/zinc/62/79/41/458627941.db2.gz HOPDPZMAKLMFHW-SECBINFHSA-N -1 0 332.303 3.355 20 5 EGBDRM Cc1cc(F)cc([N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])c1 ZINC000432201349 458698341 /nfs/dbraw/zinc/69/83/41/458698341.db2.gz FPJBLEMQHJRLEK-UHFFFAOYSA-N -1 0 338.360 3.460 20 5 EGBDRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000472018523 458763036 /nfs/dbraw/zinc/76/30/36/458763036.db2.gz UUJRBBIXIBEEIV-UHFFFAOYSA-N -1 0 342.351 3.481 20 5 EGBDRM O=C([O-])c1cnc(NC[C@H]2CCC[C@@H](C(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC000520818567 459097393 /nfs/dbraw/zinc/09/73/93/459097393.db2.gz SONXAXWRNKFSAD-WCBMZHEXSA-N -1 0 347.293 3.469 20 5 EGBDRM CC(C)OCc1ccccc1CNC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000532658397 459125666 /nfs/dbraw/zinc/12/56/66/459125666.db2.gz QIKLGFVVZOYPHQ-UHFFFAOYSA-N -1 0 344.367 3.155 20 5 EGBDRM COCc1csc(CNc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])c1 ZINC000594737198 459146204 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XHCZPCQDGVGALM-PLNGDYQASA-N -1 0 330.271 3.084 20 5 EGBDRM O=C([O-])COc1cccc(CNc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000739832629 576508398 /nfs/dbraw/zinc/50/83/98/576508398.db2.gz IJJLFSKNYKFULL-UHFFFAOYSA-N -1 0 336.731 3.324 20 5 EGBDRM O=C([O-])c1ccc(CNCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)o1 ZINC000740133146 576553217 /nfs/dbraw/zinc/55/32/17/576553217.db2.gz YCQXNLYKGWFMQH-UHFFFAOYSA-N -1 0 342.307 3.436 20 5 EGBDRM O=C([O-])c1ccc(Oc2ccncc2[N+](=O)[O-])c(Br)c1 ZINC000740167866 576558344 /nfs/dbraw/zinc/55/83/44/576558344.db2.gz KCUAUXLTCOVCBW-UHFFFAOYSA-N -1 0 339.101 3.243 20 5 EGBDRM CCCCC[C@H](C)CC(=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1 ZINC000744132361 576821150 /nfs/dbraw/zinc/82/11/50/576821150.db2.gz NAOVAIALHNVCMS-JTQLQIEISA-N -1 0 348.446 3.068 20 5 EGBDRM O=C([O-])CN(Cc1ccccc1)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000692409912 600214378 /nfs/dbraw/zinc/21/43/78/600214378.db2.gz WFAZZZFNXQLOCN-UHFFFAOYSA-N -1 0 334.759 3.335 20 5 EGBDRM O=C([O-])c1ccc(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)s1 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3.068 20 5 EGBDRM O=C(Nc1ccc2c(c1)C(=O)CCC2)c1cc([N+](=O)[O-])ccc1[O-] ZINC000179538093 265382127 /nfs/dbraw/zinc/38/21/27/265382127.db2.gz DPAXZWKUZYNDBN-UHFFFAOYSA-N -1 0 326.308 3.072 20 5 EGBDRM CCCOc1ccc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000113892970 275189001 /nfs/dbraw/zinc/18/90/01/275189001.db2.gz BXQBHVSFIXXLHY-UHFFFAOYSA-N -1 0 336.369 3.184 20 5 EGBDRM Cc1sc(CC(=O)Nc2cc([N+](=O)[O-])ccc2[O-])nc1C(C)C ZINC000279542028 275338692 /nfs/dbraw/zinc/33/86/92/275338692.db2.gz TWQPMAXWBQASGE-UHFFFAOYSA-N -1 0 335.385 3.370 20 5 EGBDRM CN(Cc1cnn(-c2ccccc2)c1)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000349640057 276866576 /nfs/dbraw/zinc/86/65/76/276866576.db2.gz AEVJUCWWLUKLKM-UHFFFAOYSA-N -1 0 338.367 3.118 20 5 EGBDRM COc1ccc2c(c1)N(Cc1cc([O-])ccc1[N+](=O)[O-])C[C@@H](C)O2 ZINC000339006154 295265181 /nfs/dbraw/zinc/26/51/81/295265181.db2.gz VSIBLUAJYHKSPQ-LLVKDONJSA-N -1 0 330.340 3.097 20 5 EGBDRM C[C@@H]1C[C@H](C(=O)[O-])CN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000263225217 297344043 /nfs/dbraw/zinc/34/40/43/297344043.db2.gz PWQLSHPXOFZJHD-BDAKNGLRSA-N -1 0 332.278 3.161 20 5 EGBDRM CC(C)(Oc1ccc(F)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000127804303 307590553 /nfs/dbraw/zinc/59/05/53/307590553.db2.gz CMPARHHDIKZOQP-UHFFFAOYSA-N -1 0 334.303 3.236 20 5 EGBDRM Cc1cccc(F)c1[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000160841023 307895274 /nfs/dbraw/zinc/89/52/74/307895274.db2.gz UGKJYVKWOZRAAD-UHFFFAOYSA-N -1 0 344.751 3.497 20 5 EGBDRM C[C@@H](CCc1ccccc1)NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000237333521 307944833 /nfs/dbraw/zinc/94/48/33/307944833.db2.gz BGLWOPFVWLSMLS-LBPRGKRZSA-N -1 0 342.351 3.044 20 5 EGBDRM O=C([O-])CCCCCNc1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC000416429017 309171630 /nfs/dbraw/zinc/17/16/30/309171630.db2.gz WSSQOOKBRJHMKS-UHFFFAOYSA-N -1 0 329.356 3.136 20 5 EGBDRM O=C(NC[C@H]1CCCc2ccccc21)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000427922098 309538091 /nfs/dbraw/zinc/53/80/91/309538091.db2.gz AIFDMUZOLPQHMF-CYBMUJFWSA-N -1 0 326.352 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CC[C@H](Nc1nccc(C(=O)[O-])c1[N+](=O)[O-])c1ccc(OC)cc1 ZINC000565483853 316330095 /nfs/dbraw/zinc/33/00/95/316330095.db2.gz RFOOVWPFDWKWQD-ZDUSSCGKSA-N -1 0 331.328 3.260 20 5 EGBDRM Cc1cc(N2CC[C@@H](C(=O)[O-])[C@H]2C)c([N+](=O)[O-])cc1C(F)(F)F ZINC000567475198 316624020 /nfs/dbraw/zinc/62/40/20/316624020.db2.gz ASLJACAUBFIHMD-RKDXNWHRSA-N -1 0 332.278 3.221 20 5 EGBDRM CC(C)n1ncc2c1C[C@@H](Nc1ccc([N+](=O)[O-])c(C(=O)[O-])c1)CC2 ZINC000568887831 316837756 /nfs/dbraw/zinc/83/77/56/316837756.db2.gz LLLPOMAEAFQGGF-ZDUSSCGKSA-N -1 0 344.371 3.040 20 5 EGBDRM O=C([O-])c1cc(NC[C@@H]2CCN(c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000568921489 316840788 /nfs/dbraw/zinc/84/07/88/316840788.db2.gz ARSYFKRRXRZAOP-ZDUSSCGKSA-N -1 0 341.367 3.231 20 5 EGBDRM Cc1ccc([C@@H](C)NC(=O)N(CC(=O)[O-])C2CCCC2)cc1[N+](=O)[O-] ZINC000569188995 316877791 /nfs/dbraw/zinc/87/77/91/316877791.db2.gz RGEQJYBQZZYXBD-GFCCVEGCSA-N -1 0 349.387 3.003 20 5 EGBDRM Cc1cc(N2CC[C@H](C(F)(F)F)[C@@H]2C)cc(C(=O)[O-])c1[N+](=O)[O-] 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C[C@@H]1[C@@H](CC(F)(F)F)C[C@H](C)N1C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000296194436 455876636 /nfs/dbraw/zinc/87/66/36/455876636.db2.gz SZGKRYGGJXTRLJ-IVZWLZJFSA-N -1 0 346.305 3.492 20 5 EGBDRM O=[N+]([O-])c1cc(S(=O)(=O)Nc2cccc(C(F)F)c2)ccc1[O-] ZINC000195452126 455964034 /nfs/dbraw/zinc/96/40/34/455964034.db2.gz UVFIOCGEMAKGIC-UHFFFAOYSA-N -1 0 344.295 3.039 20 5 EGBDRM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N(CC1CCC1)CC(F)(F)F ZINC000272574455 455999664 /nfs/dbraw/zinc/99/96/64/455999664.db2.gz CZKSFQNESSYZRG-UHFFFAOYSA-N -1 0 332.278 3.105 20 5 EGBDRM C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000272658056 456028364 /nfs/dbraw/zinc/02/83/64/456028364.db2.gz GSKAXLSVYXNVLT-SJKOYZFVSA-N -1 0 326.352 3.319 20 5 EGBDRM Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2F)cc1[N+](=O)[O-] ZINC000216131698 456028465 /nfs/dbraw/zinc/02/84/65/456028465.db2.gz XJIWUCLPAVCNJX-UHFFFAOYSA-N -1 0 344.751 3.497 20 5 EGBDRM CC(C)(C)c1ccc(C(=O)NC2(C(=O)[O-])CCCC2)cc1[N+](=O)[O-] ZINC000236575817 456156885 /nfs/dbraw/zinc/15/68/85/456156885.db2.gz POUVSEQFDRVBEO-UHFFFAOYSA-N -1 0 334.372 3.020 20 5 EGBDRM O=[N+]([O-])c1cnc([N-]c2cnn(Cc3ccc(Cl)cc3)c2)nc1 ZINC000302153314 456300096 /nfs/dbraw/zinc/30/00/96/456300096.db2.gz LOVZVTNMCKLJIQ-UHFFFAOYSA-N -1 0 330.735 3.027 20 5 EGBDRM Cc1ccccc1OCCCC(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000340541386 456520760 /nfs/dbraw/zinc/52/07/60/456520760.db2.gz FDEWHCLJMCVVPN-UHFFFAOYSA-N -1 0 330.340 3.407 20 5 EGBDRM O=C([O-])CCC1CCN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])CC1 ZINC000325954290 456689948 /nfs/dbraw/zinc/68/99/48/456689948.db2.gz OMACGQFPJGOZQJ-UHFFFAOYSA-N -1 0 347.293 3.090 20 5 EGBDRM Cc1cccnc1OC1CCN(Cc2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC000339131673 456954841 /nfs/dbraw/zinc/95/48/41/456954841.db2.gz VFIIVZRYJMQVTG-UHFFFAOYSA-N -1 0 343.383 3.047 20 5 EGBDRM O=C(Nc1ccc(OCC(F)F)cc1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000356609554 457082956 /nfs/dbraw/zinc/08/29/56/457082956.db2.gz IWTBVIXOUSAASW-UHFFFAOYSA-N -1 0 338.266 3.197 20 5 EGBDRM Cc1cc(S(=O)(=O)[N-]c2ccc3ccccc3n2)ccc1[N+](=O)[O-] ZINC000342056137 457083559 /nfs/dbraw/zinc/08/35/59/457083559.db2.gz FHIVRSAPKNFQQH-UHFFFAOYSA-N -1 0 343.364 3.252 20 5 EGBDRM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N(Cc1ccc(F)cc1)CC1CC1 ZINC000357047789 457296585 /nfs/dbraw/zinc/29/65/85/457296585.db2.gz GBPAJEXIGAKPAQ-UHFFFAOYSA-N -1 0 344.342 3.492 20 5 EGBDRM Cc1csc(CCC(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])n1 ZINC000444350477 457890341 /nfs/dbraw/zinc/89/03/41/457890341.db2.gz HILNNQLOTHVPNB-UHFFFAOYSA-N -1 0 341.776 3.290 20 5 EGBDRM CO[C@@H](c1noc(-c2ccc([N+](=O)[O-])c([O-])c2)n1)c1ccc(F)cc1 ZINC000445264926 458035138 /nfs/dbraw/zinc/03/51/38/458035138.db2.gz RIZUXEVXKGNUGM-CQSZACIVSA-N -1 0 345.286 3.225 20 5 EGBDRM O=C([O-])c1cc([N+](=O)[O-])cnc1/C=C\c1cnc(C(F)(F)F)s1 ZINC000435759771 458197381 /nfs/dbraw/zinc/19/73/81/458197381.db2.gz LUTBPGSXTILECD-UPHRSURJSA-N -1 0 345.258 3.334 20 5 EGBDRM CC(C)[C@H](Cc1ccc(F)cc1)NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436640929 458350096 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20 5 EGBDRM COc1ccc(CN(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)C2CC2)cc1 ZINC000556750082 459001589 /nfs/dbraw/zinc/00/15/89/459001589.db2.gz PZVAFNPNVBQMOG-UHFFFAOYSA-N -1 0 342.351 3.471 20 5 EGBDRM CCc1ccc(C)nc1[N-]S(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000594729686 459144228 /nfs/dbraw/zinc/14/42/28/459144228.db2.gz SEMHIVCFTZOIDY-UHFFFAOYSA-N -1 0 349.412 3.278 20 5 EGBDRM CC(C)c1ccc(C(=O)N2CCCC[C@H]2CC(=O)[O-])cc1[N+](=O)[O-] ZINC000590701803 459188635 /nfs/dbraw/zinc/18/86/35/459188635.db2.gz DHKULNCOHCWVEM-ZDUSSCGKSA-N -1 0 334.372 3.188 20 5 EGBDRM Cc1cccc([C@@H](NC(=O)Nc2cccc([N+](=O)[O-])c2)C(=O)[O-])c1C ZINC000562412351 459557813 /nfs/dbraw/zinc/55/78/13/459557813.db2.gz RENSJENTTZZRMP-OAHLLOKOSA-N -1 0 343.339 3.159 20 5 EGBDRM Cc1cc(N2CC[C@@](C(=O)[O-])(c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000573449659 459679253 /nfs/dbraw/zinc/67/92/53/459679253.db2.gz TYHGDYZNZUDJTQ-SFHVURJKSA-N -1 0 326.352 3.136 20 5 EGBDRM O=C([O-])[C@@H]1CN(c2ccnc3c2cccc3[N+](=O)[O-])Cc2ccccc21 ZINC000592980968 459728418 /nfs/dbraw/zinc/72/84/18/459728418.db2.gz BHWMIZBBYPBYAO-OAHLLOKOSA-N -1 0 349.346 3.331 20 5 EGBDRM CC(C)[C@H]1C[C@H](CNc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])CCO1 ZINC000563214161 459740159 /nfs/dbraw/zinc/74/01/59/459740159.db2.gz PNCPSYNXGZCLNX-CZUORRHYSA-N -1 0 336.388 3.085 20 5 EGBDRM Cc1cc(N(Cc2ccccn2)C2CC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000575319355 459958609 /nfs/dbraw/zinc/95/86/09/459958609.db2.gz SHFUERNDFVSBJR-UHFFFAOYSA-N -1 0 327.340 3.165 20 5 EGBDRM C[C@@H]1CN(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)CC2(CCCCC2)O1 ZINC000593947215 460023796 /nfs/dbraw/zinc/02/37/96/460023796.db2.gz HSYQWNGLNYDKPH-GFCCVEGCSA-N -1 0 334.372 3.221 20 5 EGBDRM C[C@H]1CC[C@@H](C(F)(F)F)CN1C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000611561859 460399836 /nfs/dbraw/zinc/39/98/36/460399836.db2.gz XRYTXBKTYGZMNB-DTWKUNHWSA-N -1 0 332.278 3.103 20 5 EGBDRM O=C([N-]c1nnc(/C=C\c2ccco2)s1)c1ccc([N+](=O)[O-])o1 ZINC000611212331 469194212 /nfs/dbraw/zinc/19/42/12/469194212.db2.gz HODHSJACPVQUPY-HYXAFXHYSA-N -1 0 332.297 3.055 20 5 EGBDRM CCN(c1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])cn1)C(C)C ZINC000356325347 535413207 /nfs/dbraw/zinc/41/32/07/535413207.db2.gz VTKTZFAEYTXVMC-UHFFFAOYSA-N -1 0 344.371 3.182 20 5 EGBDRM Cc1oc(C(=O)[O-])cc1Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000738965387 574533007 /nfs/dbraw/zinc/53/30/07/574533007.db2.gz BHDITDIHIGXFNX-UHFFFAOYSA-N -1 0 327.296 3.106 20 5 EGBDRM C[C@@H](CC(=O)[O-])S[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000736552364 575983196 /nfs/dbraw/zinc/98/31/96/575983196.db2.gz MKKFPNGEZXLPAY-IUCAKERBSA-N -1 0 337.357 3.302 20 5 EGBDRM C[C@@H](CC(=O)[O-])S[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000736554264 575983990 /nfs/dbraw/zinc/98/39/90/575983990.db2.gz XAMLEJPTFKKNBD-YUMQZZPRSA-N -1 0 346.792 3.172 20 5 EGBDRM C[C@@H](NC(=O)c1cccc(NC(=O)[O-])c1)c1cccc([N+](=O)[O-])c1 ZINC000736659821 576000556 /nfs/dbraw/zinc/00/05/56/576000556.db2.gz YFDAWDZOFRLRCH-SNVBAGLBSA-N -1 0 329.312 3.176 20 5 EGBDRM CCN(C(=O)c1cc(F)cc([N+](=O)[O-])c1)c1ccccc1C(=O)[O-] ZINC000737058209 576095533 /nfs/dbraw/zinc/09/55/33/576095533.db2.gz NDNQYTWZXRZLNX-UHFFFAOYSA-N -1 0 332.287 3.099 20 5 EGBDRM CCOc1ccc(C[C@H](CNc2ccccc2[N+](=O)[O-])C(=O)[O-])cc1 ZINC000737205314 576136454 /nfs/dbraw/zinc/13/64/54/576136454.db2.gz ITGBJCLNVIGDQD-CQSZACIVSA-N -1 0 344.367 3.349 20 5 EGBDRM CN(Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2F)cc1)C(=O)[O-] ZINC000737485247 576236665 /nfs/dbraw/zinc/23/66/65/576236665.db2.gz DUHPCNSJCTWISV-UHFFFAOYSA-N -1 0 347.302 3.096 20 5 EGBDRM O=C([O-])c1cc(-c2nc(-c3cccc(F)c3)no2)cc([N+](=O)[O-])c1 ZINC000738670598 576349342 /nfs/dbraw/zinc/34/93/42/576349342.db2.gz XSTONZNCEBQQCS-UHFFFAOYSA-N -1 0 329.243 3.149 20 5 EGBDRM O=C([O-])c1ccnc(N[C@H]2CCc3cc(Cl)ccc32)c1[N+](=O)[O-] ZINC000738692790 576351968 /nfs/dbraw/zinc/35/19/68/576351968.db2.gz CQTMBQJQBQCZCS-LBPRGKRZSA-N -1 0 333.731 3.441 20 5 EGBDRM Cc1cccc(C[C@H](CNc2ncc([N+](=O)[O-])cc2Cl)C(=O)[O-])c1 ZINC000738707233 576353203 /nfs/dbraw/zinc/35/32/03/576353203.db2.gz ICZMJUPCZPRRHW-GFCCVEGCSA-N -1 0 349.774 3.307 20 5 EGBDRM Cc1nn(C)c(NCc2c3ccccc3sc2C(=O)[O-])c1[N+](=O)[O-] ZINC000738916110 576369113 /nfs/dbraw/zinc/36/91/13/576369113.db2.gz WQVBPLSGMORPDT-UHFFFAOYSA-N -1 0 346.368 3.162 20 5 EGBDRM O=C([O-])c1cc(NC(=O)Cc2cc3ccccc3o2)cc([N+](=O)[O-])c1 ZINC000739341925 576399512 /nfs/dbraw/zinc/39/95/12/576399512.db2.gz RHCHWSHEQYYQKC-UHFFFAOYSA-N -1 0 340.291 3.220 20 5 EGBDRM O=C([O-])[C@H](CNc1ccc(F)cc1[N+](=O)[O-])Cc1cccc(F)c1 ZINC000739501022 576419196 /nfs/dbraw/zinc/41/91/96/576419196.db2.gz DMBQXESDVOTWCY-NSHDSACASA-N -1 0 336.294 3.228 20 5 EGBDRM O=C([O-])[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2Cl)c2ccccc2O1 ZINC000739616592 576434976 /nfs/dbraw/zinc/43/49/76/576434976.db2.gz MKFVCUWCCJEBNC-HNNXBMFYSA-N -1 0 348.742 3.100 20 5 EGBDRM O=C([O-])/C=C\c1ccc(NCc2ccc(O)c(F)c2)c([N+](=O)[O-])c1 ZINC000739627766 576435954 /nfs/dbraw/zinc/43/59/54/576435954.db2.gz ZTBODEDAJMUGBR-UTCJRWHESA-N -1 0 332.287 3.149 20 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O=C(Nc1cccc(-c2ncco2)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000182157147 455448827 /nfs/dbraw/zinc/44/88/27/455448827.db2.gz QYVGQUWSSPEQIC-UHFFFAOYSA-N -1 0 325.280 3.208 20 5 EGBDRM O=C(c1ccc([N+](=O)[O-])cc1[O-])N(Cc1cccc(O)c1)CC1CC1 ZINC000184870255 455464244 /nfs/dbraw/zinc/46/42/44/455464244.db2.gz LAFVJUGPFRTRET-UHFFFAOYSA-N -1 0 342.351 3.058 20 5 EGBDRM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CCC[C@@H]1c1ccc(F)cc1 ZINC000161506887 455576224 /nfs/dbraw/zinc/57/62/24/455576224.db2.gz ZZDWPDVIGGIQQX-CQSZACIVSA-N -1 0 330.315 3.417 20 5 EGBDRM Cn1c(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)nc2c1cccc2Cl ZINC000185835588 455631902 /nfs/dbraw/zinc/63/19/02/455631902.db2.gz RDZVRJQJJJPZAO-UHFFFAOYSA-N -1 0 346.730 3.093 20 5 EGBDRM CC[C@@H](NC(=O)c1ccc(C(=O)[O-])s1)c1cccc([N+](=O)[O-])c1 ZINC000236963133 456210979 /nfs/dbraw/zinc/21/09/79/456210979.db2.gz JSZNDPXNMRPUIA-LLVKDONJSA-N -1 0 334.353 3.236 20 5 EGBDRM Cc1cc([N+](=O)[O-])c(C)cc1[N-]S(=O)(=O)c1ccc2c(c1)COC2 ZINC000352880141 456386699 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344.342 3.459 20 5 EGBDRM CN(C(=O)c1ccc([O-])c([N+](=O)[O-])c1)C1C2CC3CC(C2)CC1C3 ZINC000436636209 458348806 /nfs/dbraw/zinc/34/88/06/458348806.db2.gz ULOYXXJIJCOPQO-UHFFFAOYSA-N -1 0 330.384 3.197 20 5 EGBDRM CCC(=O)c1ccc([O-])c(NC(=O)c2cc(C)cc([N+](=O)[O-])c2)c1 ZINC000436647245 458351623 /nfs/dbraw/zinc/35/16/23/458351623.db2.gz QEMKOABLRNAVOK-UHFFFAOYSA-N -1 0 328.324 3.454 20 5 EGBDRM CSc1ccc(F)cc1CNC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000436791383 458380719 /nfs/dbraw/zinc/38/07/19/458380719.db2.gz RGZGFTQRLIWVKW-UHFFFAOYSA-N -1 0 336.344 3.091 20 5 EGBDRM CCOCCC1(CNC(=O)c2cccc([N+](=O)[O-])c2[O-])CCCC1 ZINC000436921565 458406001 /nfs/dbraw/zinc/40/60/01/458406001.db2.gz ULHNXXVPPLQTHT-UHFFFAOYSA-N -1 0 336.388 3.017 20 5 EGBDRM CCc1c(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)onc1C(F)(F)F ZINC000436919751 458406382 /nfs/dbraw/zinc/40/63/82/458406382.db2.gz OTDQUDLULKLLTD-UHFFFAOYSA-N -1 0 345.233 3.122 20 5 EGBDRM CC[C@H](CNC(=O)c1ccc([O-])c([N+](=O)[O-])c1)Oc1ccccc1C ZINC000436959125 458413758 /nfs/dbraw/zinc/41/37/58/458413758.db2.gz FWQVDKBOCVPXKF-CQSZACIVSA-N -1 0 344.367 3.196 20 5 EGBDRM Cc1cc([N+](=O)[O-])c(C)cc1[N-]S(=O)(=O)c1cccc(F)c1C ZINC000473761263 458842314 /nfs/dbraw/zinc/84/23/14/458842314.db2.gz BYHSIQXUPHUIGD-UHFFFAOYSA-N -1 0 338.360 3.460 20 5 EGBDRM CCc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)cc1 ZINC000466969480 458940447 /nfs/dbraw/zinc/94/04/47/458940447.db2.gz PGHBYNLCXFPXIH-UHFFFAOYSA-N -1 0 326.399 3.328 20 5 EGBDRM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc2ccoc2c1 ZINC000442848974 459046562 /nfs/dbraw/zinc/04/65/62/459046562.db2.gz NJLULOFBYYAWDM-UHFFFAOYSA-N -1 0 348.336 3.150 20 5 EGBDRM COc1cc(Cc2noc(-c3cc(F)ccc3[O-])n2)ccc1[N+](=O)[O-] ZINC000558592780 459177199 /nfs/dbraw/zinc/17/71/99/459177199.db2.gz QKNGJCBEJASPHE-UHFFFAOYSA-N -1 0 345.286 3.089 20 5 EGBDRM Cc1cc(=O)[nH]c(C(C)(C)NCc2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000595529731 459335180 /nfs/dbraw/zinc/33/51/80/459335180.db2.gz ZGRQIZHFXRQESN-UHFFFAOYSA-N -1 0 336.779 3.077 20 5 EGBDRM O=C([O-])[C@@H]1CCN(CCOc2ccc([N+](=O)[O-])cc2)c2ccccc21 ZINC000591445539 459382458 /nfs/dbraw/zinc/38/24/58/459382458.db2.gz WOFJZLUWOYJCRX-MRXNPFEDSA-N -1 0 342.351 3.052 20 5 EGBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CCC[C@H]2c2cccc(F)c2)n1 ZINC000582789257 459427697 /nfs/dbraw/zinc/42/76/97/459427697.db2.gz XPPQABXTZXVUJE-AWEZNQCLSA-N -1 0 345.330 3.477 20 5 EGBDRM O=C([O-])C[C@H]1CCCN1c1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC000569725759 459499880 /nfs/dbraw/zinc/49/98/80/459499880.db2.gz FMXGNNITBGPPEC-CYBMUJFWSA-N -1 0 327.340 3.100 20 5 EGBDRM O=c1[nH]ccc(N[C@H]2CCO[C@@H](c3ccc(F)cc3)C2)c1[N+](=O)[O-] ZINC000596196919 459557943 /nfs/dbraw/zinc/55/79/43/459557943.db2.gz CMTSWJNPOSYPDJ-GXTWGEPZSA-N -1 0 333.319 3.167 20 5 EGBDRM CC[C@@H](Nc1nc(C)cc(C(=O)[O-])c1[N+](=O)[O-])c1c(C)noc1C ZINC000572845067 459585350 /nfs/dbraw/zinc/58/53/50/459585350.db2.gz BXIJHWOYZORYOX-LLVKDONJSA-N -1 0 334.332 3.164 20 5 EGBDRM Cc1cc(-c2cc([N+](=O)[O-])c(C(=O)[O-])s2)ccc1O[C@H]1CCOC1 ZINC000572857428 459587704 /nfs/dbraw/zinc/58/77/04/459587704.db2.gz WNTWFZVAEBZBDA-NSHDSACASA-N -1 0 349.364 3.498 20 5 EGBDRM COc1nc(C)cc(C)c1CNc1cc(C)c([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000592970816 459724763 /nfs/dbraw/zinc/72/47/63/459724763.db2.gz BSRHYDOFRKDPMI-UHFFFAOYSA-N -1 0 345.355 3.234 20 5 EGBDRM Cc1cccc([C@H]2CCCN2c2nccc(C(=O)[O-])c2[N+](=O)[O-])c1 ZINC000592969397 459724899 /nfs/dbraw/zinc/72/48/99/459724899.db2.gz HOWVERHGTIFXAO-CQSZACIVSA-N -1 0 327.340 3.338 20 5 EGBDRM O=C([O-])c1ccnc(NC[C@@H]2CCCC[C@@H]2C(F)(F)F)c1[N+](=O)[O-] ZINC000592977348 459727268 /nfs/dbraw/zinc/72/72/68/459727268.db2.gz RGZRXMGATHFNMG-WPRPVWTQSA-N -1 0 347.293 3.469 20 5 EGBDRM CCc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1sccc1C ZINC000589559012 460103372 /nfs/dbraw/zinc/10/33/72/460103372.db2.gz VGJAJNWZPYDIAN-UHFFFAOYSA-N -1 0 326.399 3.328 20 5 EGBDRM COc1ccc(Cn2ccc([N-]c3sccc3[N+](=O)[O-])n2)cc1 ZINC000614524415 460163438 /nfs/dbraw/zinc/16/34/38/460163438.db2.gz FBHTVPLEOWFIMA-UHFFFAOYSA-N -1 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IBPSCLIJUHBZCK-UHFFFAOYSA-N -1 0 343.339 3.265 20 5 EGBDRM O=C(O[C@@H](c1cccc(F)c1)c1ccccn1)c1ccc([N+](=O)[O-])[n-]1 ZINC000729196612 574822738 /nfs/dbraw/zinc/82/27/38/574822738.db2.gz VKQYVZFIHAWYKA-INIZCTEOSA-N -1 0 341.298 3.403 20 5 EGBDRM CSc1ccc(N(C)C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1 ZINC000738144879 574859375 /nfs/dbraw/zinc/85/93/75/574859375.db2.gz WXUYPVTZKLEXRX-UHFFFAOYSA-N -1 0 346.364 3.292 20 5 EGBDRM Cc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2F)cc1F ZINC000736419057 575955758 /nfs/dbraw/zinc/95/57/58/575955758.db2.gz NRDYHXAOWAXUBQ-UHFFFAOYSA-N -1 0 342.323 3.291 20 5 EGBDRM CC(C)Oc1ccc(C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1 ZINC000736485860 575971143 /nfs/dbraw/zinc/97/11/43/575971143.db2.gz DVUPAIQDTKUOMT-UHFFFAOYSA-N -1 0 344.323 3.333 20 5 EGBDRM CCc1cc(SC[C@H](C)C(=O)[O-])nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000737252305 576149206 /nfs/dbraw/zinc/14/92/06/576149206.db2.gz KXHZASKUJFGMRC-JTQLQIEISA-N -1 0 347.396 3.427 20 5 EGBDRM CN(C(=O)[O-])c1ccc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2)cc1 ZINC000737335162 576209436 /nfs/dbraw/zinc/20/94/36/576209436.db2.gz DBBSXPGPPDEYON-UHFFFAOYSA-N -1 0 333.275 3.100 20 5 EGBDRM O=C([O-])c1cc(C(=O)N2CCCC[C@@H]2c2ccco2)cc([N+](=O)[O-])c1 ZINC000738670172 576349095 /nfs/dbraw/zinc/34/90/95/576349095.db2.gz UNBLWNANLMAGMZ-CQSZACIVSA-N -1 0 344.323 3.253 20 5 EGBDRM O=C([O-])c1cc(C(=O)N2CCC3(CCCC3)CC2)cc([N+](=O)[O-])c1 ZINC000738670583 576349112 /nfs/dbraw/zinc/34/91/12/576349112.db2.gz WVYZFQFUBOCPLT-UHFFFAOYSA-N -1 0 332.356 3.089 20 5 EGBDRM O=C([O-])[C@@H](Cc1ccccc1)OC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000738712941 576354154 /nfs/dbraw/zinc/35/41/54/576354154.db2.gz GSQFRAWUPOPZNN-CQSZACIVSA-N -1 0 349.726 3.101 20 5 EGBDRM Cc1oc(COC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)cc1C(=O)[O-] ZINC000738984284 576372500 /nfs/dbraw/zinc/37/25/00/576372500.db2.gz USYPYIVSHCUZMX-UHFFFAOYSA-N -1 0 339.687 3.205 20 5 EGBDRM O=C([O-])c1cc(Cl)ccc1OC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000739345939 576400646 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/nfs/dbraw/zinc/00/72/35/980007235.db2.gz VDPGWUTUTWEHTB-LBPRGKRZSA-N -1 0 347.323 3.198 20 5 EGBDRM O=C([O-])Cc1ccc(N[C@@H]2[C@@H]3Cc4cc(F)ccc4[C@@H]32)c([N+](=O)[O-])c1 ZINC000910384360 981909074 /nfs/dbraw/zinc/90/90/74/981909074.db2.gz DULGAPPKOMIZPF-JEBQAFNWSA-N -1 0 342.326 3.111 20 5 EGBDRM CCCC[C@@H](Sc1ncc([N+](=O)[O-])cc1Br)C(=O)[O-] ZINC001595657975 982067652 /nfs/dbraw/zinc/06/76/52/982067652.db2.gz XKEDNCYMUDLRNB-SECBINFHSA-N -1 0 349.206 3.488 20 5 EGBDRM CCCC[C@H](Sc1cc(C)c([N+](=O)[O-])cc1C(=O)OC)C(=O)[O-] ZINC001595658022 982068682 /nfs/dbraw/zinc/06/86/82/982068682.db2.gz ZLAFQOKIIUZMCA-LBPRGKRZSA-N -1 0 341.385 3.425 20 5 EGBDRM O=C([O-])/C=C/c1ccc(NC[C@@H]2Cc3ccccc3O2)c([N+](=O)[O-])c1 ZINC000914786377 982659515 /nfs/dbraw/zinc/65/95/15/982659515.db2.gz UAVSCDMWCGQUHP-OWNNVSBGSA-N -1 0 340.335 3.108 20 5 EGBDRM Cc1ccc([C@@H](CC(=O)[O-])NC(=O)c2cc(C)cc([N+](=O)[O-])c2)cc1 ZINC001116916464 982937072 /nfs/dbraw/zinc/93/70/72/982937072.db2.gz BLVORNXGTTZTEA-MRXNPFEDSA-N 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CC(=O)c1cc(F)ccc1OCc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001589270622 985962406 /nfs/dbraw/zinc/96/24/06/985962406.db2.gz CWYBBMBBRPGXJE-UHFFFAOYSA-N -1 0 333.271 3.214 20 5 EGBDRM CC(=O)c1ccc(NC[C@@H](CC2CCCC2)C(=O)[O-])c([N+](=O)[O-])c1 ZINC001589289894 986022630 /nfs/dbraw/zinc/02/26/30/986022630.db2.gz FRNMOELDCZEHGW-CQSZACIVSA-N -1 0 334.372 3.490 20 5 EGBDRM CC(=O)c1ccc(NCc2ccc(CC(=O)[O-])cc2)c([N+](=O)[O-])c1 ZINC001589290865 986031307 /nfs/dbraw/zinc/03/13/07/986031307.db2.gz CLHWLISQILEFLZ-UHFFFAOYSA-N -1 0 328.324 3.037 20 5 EGBDRM CSc1ccc(NC(=O)Cc2ccccc2[N+](=O)[O-])cc1C(=O)[O-] ZINC001599815299 988412972 /nfs/dbraw/zinc/41/29/72/988412972.db2.gz DUUSFUGESDOHMG-UHFFFAOYSA-N -1 0 346.364 3.196 20 5 EGBDRM CC(C)(C)Oc1ccccc1CNc1ncc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001590420459 989964866 /nfs/dbraw/zinc/96/48/66/989964866.db2.gz UKVMZDFFGUQFME-UHFFFAOYSA-N -1 0 345.355 3.477 20 5 EGBDRM CC(C)(C)c1ccc(C(=O)Nc2cncc(C(=O)[O-])c2)cc1[N+](=O)[O-] ZINC001590481651 990075344 /nfs/dbraw/zinc/07/53/44/990075344.db2.gz MUPKKEFTGXGBRB-UHFFFAOYSA-N -1 0 343.339 3.238 20 5 EGBDRM CC(C)(CCC(=O)Nc1cc2ccccc2c(C(=O)[O-])c1)[N+](=O)[O-] ZINC001590656354 990354174 /nfs/dbraw/zinc/35/41/74/990354174.db2.gz QDONUJXGDYWRHQ-UHFFFAOYSA-N -1 0 330.340 3.312 20 5 EGBDRM CC(C)[C@H](O)C1(CNc2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC001591039963 991373282 /nfs/dbraw/zinc/37/32/82/991373282.db2.gz AWSSCELJJDIKFQ-ZDUSSCGKSA-N -1 0 342.779 3.155 20 5 EGBDRM COc1ccc(Nc2ncc(C(=O)[O-])cc2[N+](=O)[O-])cc1SC ZINC001599598388 993779943 /nfs/dbraw/zinc/77/99/43/993779943.db2.gz LSJWQMMYBMBPQW-UHFFFAOYSA-N -1 0 335.341 3.162 20 5 EGBDRM C[C@@H](N[C@H](C)c1c(F)cccc1[N+](=O)[O-])c1ncc(C(=O)[O-])s1 ZINC001593195712 994149185 /nfs/dbraw/zinc/14/91/85/994149185.db2.gz DZWGDXZHJVYMIA-HTQZYQBOSA-N -1 0 339.348 3.300 20 5 EGBDRM C[C@@H](N[C@@H]1CCc2c1cccc2[N+](=O)[O-])c1ncc(C(=O)[O-])s1 ZINC001593234290 994399752 /nfs/dbraw/zinc/39/97/52/994399752.db2.gz XUFOAXVUYDVYJV-LDYMZIIASA-N -1 0 333.369 3.088 20 5 EGBDRM C[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1cc(C(=O)[O-])co1 ZINC001593566377 995662848 /nfs/dbraw/zinc/66/28/48/995662848.db2.gz YGYLKIZJTDTRSS-ZETCQYMHSA-N -1 0 339.687 3.457 20 5 EGBDRM COc1cc(CNc2ccc(CCC(=O)[O-])cc2)ccc1[N+](=O)[O-] ZINC001599418851 997559091 /nfs/dbraw/zinc/55/90/91/997559091.db2.gz TWOMIZZTMNLZHN-UHFFFAOYSA-N -1 0 330.340 3.233 20 5 EGBDRM C[C@@H]1C[C@@H](CNc2c(Cl)cc([N+](=O)[O-])cc2C(=O)[O-])[C@H](C)O1 ZINC001594242342 998919690 /nfs/dbraw/zinc/91/96/90/998919690.db2.gz CYAWXBFHIXFYTK-VGMNWLOBSA-N -1 0 328.752 3.172 20 5 EGBDRM C[C@@H]1CCC[C@@H](CNc2c(Cl)cc([N+](=O)[O-])cc2C(=O)[O-])O1 ZINC001594348035 999317575 /nfs/dbraw/zinc/31/75/75/999317575.db2.gz FFXBQZZAHZEYAA-SCZZXKLOSA-N -1 0 328.752 3.316 20 5 EGBDRM C[C@H]1CCC[C@H](CNc2c(Cl)cc([N+](=O)[O-])cc2C(=O)[O-])O1 ZINC001594348036 999317597 /nfs/dbraw/zinc/31/75/97/999317597.db2.gz FFXBQZZAHZEYAA-WCBMZHEXSA-N -1 0 328.752 3.316 20 5 EGBDRM CCC(CC)(CNC(=O)Nc1cc(C)c([N+](=O)[O-])cc1C)C(=O)[O-] ZINC000326474364 282110007 /nfs/dbraw/zinc/11/00/07/282110007.db2.gz UGPQXYWEXUMTLA-UHFFFAOYSA-N -1 0 337.376 3.224 20 5 EGBDRM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CCC(c2cccc(F)c2)CC1 ZINC000371794963 168658215 /nfs/dbraw/zinc/65/82/15/168658215.db2.gz JOPXTOHWMBFHJA-UHFFFAOYSA-N -1 0 344.342 3.459 20 5 EGBDRM O=C([O-])c1cc(C(=O)N2CCC[C@H]3CCCC[C@H]32)cc([N+](=O)[O-])c1 ZINC000192967599 239958218 /nfs/dbraw/zinc/95/82/18/239958218.db2.gz XXIIAJPUASQXAP-IAQYHMDHSA-N -1 0 332.356 3.088 20 5 EGBDRM COc1ccc([C@@H](C)N(C)C(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1 ZINC000164105781 533101710 /nfs/dbraw/zinc/10/17/10/533101710.db2.gz PSERRTFVBBKBJR-LLVKDONJSA-N -1 0 330.340 3.142 20 5 EGBDRM C[C@H](C(=O)[O-])N(C)c1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000263527471 141057007 /nfs/dbraw/zinc/05/70/07/141057007.db2.gz USQGTCAZZKASLK-RXMQYKEDSA-N -1 0 326.658 3.176 20 5 EGBDRM C[C@H](CC(=O)c1ccccc1F)C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000356297093 141338458 /nfs/dbraw/zinc/33/84/58/141338458.db2.gz RGEIIWXEDNUYDT-SNVBAGLBSA-N -1 0 346.314 3.287 20 5 EGBDRM CCO[C@@H](C)c1ncc(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])s1 ZINC000356324143 141341875 /nfs/dbraw/zinc/34/18/75/141341875.db2.gz SROOFTZYFUKGAS-QMMMGPOBSA-N -1 0 337.357 3.107 20 5 EGBDRM Cc1cc(S(=O)(=O)[N-]c2cccc3cccnc32)ccc1[N+](=O)[O-] ZINC000172182157 144017122 /nfs/dbraw/zinc/01/71/22/144017122.db2.gz CTLMFSIZFWWFCH-UHFFFAOYSA-N -1 0 343.364 3.252 20 5 EGBDRM O=C(N[C@H](c1ccccc1)c1cccnc1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000185848433 144120486 /nfs/dbraw/zinc/12/04/86/144120486.db2.gz GVTXIDZYRCNUJT-GOSISDBHSA-N -1 0 349.346 3.215 20 5 EGBDRM COc1cccc(F)c1C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000351782136 144306059 /nfs/dbraw/zinc/30/60/59/144306059.db2.gz OZBRMGWSHMHTHC-UHFFFAOYSA-N -1 0 340.694 3.354 20 5 EGBDRM O=C(Cc1coc2cc(F)ccc12)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000361656996 144344712 /nfs/dbraw/zinc/34/47/12/144344712.db2.gz VBXOSRMISYPRKB-UHFFFAOYSA-N -1 0 330.271 3.367 20 5 EGBDRM Cc1sc(S(=O)(=O)[N-]c2ccc(F)c(C)c2)cc1[N+](=O)[O-] ZINC000119139835 152176218 /nfs/dbraw/zinc/17/62/18/152176218.db2.gz HOWWNQXCZLWQCC-UHFFFAOYSA-N -1 0 330.362 3.213 20 5 EGBDRM CC[C@@H](NC(=O)c1cccc(C(=O)[O-])c1)c1cccc([N+](=O)[O-])c1 ZINC000236966025 153483774 /nfs/dbraw/zinc/48/37/74/153483774.db2.gz CDRSOJGLROCIRE-OAHLLOKOSA-N -1 0 328.324 3.174 20 5 EGBDRM CCN(C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)[C@H]1CCCC[C@@H]1C ZINC000237046024 153490891 /nfs/dbraw/zinc/49/08/91/153490891.db2.gz HGAKEPHMYUKSBJ-NHYWBVRUSA-N -1 0 334.372 3.334 20 5 EGBDRM COc1ccc(C(=O)Nc2cc(C)c(C)c(C(=O)[O-])c2)cc1[N+](=O)[O-] ZINC000327369377 154187128 /nfs/dbraw/zinc/18/71/28/154187128.db2.gz RFZUHJDWLNNMPZ-UHFFFAOYSA-N -1 0 344.323 3.171 20 5 EGBDRM Cc1ccc2c(c1)CC[C@@H]2NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000352692806 156426798 /nfs/dbraw/zinc/42/67/98/156426798.db2.gz GXAOKMYSSDLHGK-INIZCTEOSA-N -1 0 340.335 3.019 20 5 EGBDRM O=C([N-]c1nnc(C(F)F)s1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000110248689 162121460 /nfs/dbraw/zinc/12/14/60/162121460.db2.gz QWOZSHIPKVCIDV-UHFFFAOYSA-N -1 0 334.691 3.290 20 5 EGBDRM CCOc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C)s1 ZINC000337183222 163155246 /nfs/dbraw/zinc/15/52/46/163155246.db2.gz NFDATXVFDVJRLR-UHFFFAOYSA-N -1 0 342.398 3.164 20 5 EGBDRM COCc1c2ccccc2oc1C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000343871976 164054518 /nfs/dbraw/zinc/05/45/18/164054518.db2.gz FWLPDRXKEGSRQL-UHFFFAOYSA-N -1 0 342.307 3.445 20 5 EGBDRM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1ncccc1Cl ZINC000345327648 164204456 /nfs/dbraw/zinc/20/44/56/164204456.db2.gz JUBSBJYBCQDQJW-UHFFFAOYSA-N -1 0 328.111 3.255 20 5 EGBDRM C[C@@]1(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)CCCc2ccccc21 ZINC000355983860 166366927 /nfs/dbraw/zinc/36/69/27/166366927.db2.gz HTGVMSPLLGQXLL-GOSISDBHSA-N -1 0 326.352 3.282 20 5 EGBDRM Cc1cccc(OC(F)F)c1NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000356004047 166372644 /nfs/dbraw/zinc/37/26/44/166372644.db2.gz RHMDEBKGSSBJGF-UHFFFAOYSA-N -1 0 338.266 3.463 20 5 EGBDRM O=C(Nc1ccc([C@@H]2CCOC2)cc1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000359062183 167055338 /nfs/dbraw/zinc/05/53/38/167055338.db2.gz CKWMHXVWZQZZKC-GFCCVEGCSA-N -1 0 328.324 3.057 20 5 EGBDRM Cc1coc2ccc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc12 ZINC000359080002 167062114 /nfs/dbraw/zinc/06/21/14/167062114.db2.gz HPOGRXFIVBSFQE-UHFFFAOYSA-N -1 0 332.337 3.450 20 5 EGBDRM COc1ccc(C(C)(C)CNC(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1 ZINC000160164747 264869171 /nfs/dbraw/zinc/86/91/71/264869171.db2.gz HDZDXXIXZXDAEJ-UHFFFAOYSA-N -1 0 344.367 3.017 20 5 EGBDRM O=C(Nc1c(F)cccc1N1CCCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000181965546 265414677 /nfs/dbraw/zinc/41/46/77/265414677.db2.gz HGFGEFVOOCCMKY-UHFFFAOYSA-N -1 0 345.330 3.292 20 5 EGBDRM CC(C)(C)Oc1ccncc1NC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000182152877 265419035 /nfs/dbraw/zinc/41/90/35/265419035.db2.gz UKFJJXCJKDOHKG-UHFFFAOYSA-N -1 0 331.328 3.125 20 5 EGBDRM CC(C)Oc1ccc(N(C)C(=O)c2ccc([N+](=O)[O-])c([O-])c2)cc1 ZINC000192264640 265956518 /nfs/dbraw/zinc/95/65/18/265956518.db2.gz JKURRIGSNZSOAY-UHFFFAOYSA-N -1 0 330.340 3.364 20 5 EGBDRM Cc1ccccc1[C@@H]1CCN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1 ZINC000273255537 267007082 /nfs/dbraw/zinc/00/70/82/267007082.db2.gz BGIDKBWTADTXPR-CQSZACIVSA-N -1 0 326.352 3.239 20 5 EGBDRM CC(C)(C(=O)[N-]OCCC(F)(F)F)c1ccc([N+](=O)[O-])cc1F ZINC000275229038 267331773 /nfs/dbraw/zinc/33/17/73/267331773.db2.gz PBOSBRUATAITQG-UHFFFAOYSA-N -1 0 338.257 3.012 20 5 EGBDRM COc1nc(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])cc2ccccc21 ZINC000089531640 275153252 /nfs/dbraw/zinc/15/32/52/275153252.db2.gz NFFPMRPQDDEYOA-UHFFFAOYSA-N -1 0 339.307 3.110 20 5 EGBDRM CC(C)N(C)c1ccccc1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000337289300 279396205 /nfs/dbraw/zinc/39/62/05/279396205.db2.gz JKRBAEUJXQPMKU-UHFFFAOYSA-N -1 0 349.412 3.240 20 5 EGBDRM C[C@H]1CCN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)[C@@H](C(=O)[O-])C1 ZINC000262984926 299955903 /nfs/dbraw/zinc/95/59/03/299955903.db2.gz KZQUZNWBXARKKS-XHDPSFHLSA-N -1 0 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CCC(=O)c1cccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)c1 ZINC000178811549 275201943 /nfs/dbraw/zinc/20/19/43/275201943.db2.gz SCTXSTGAQSQELC-UHFFFAOYSA-N -1 0 348.380 3.297 20 5 EGBDRM O=[N+]([O-])c1cc(Br)cnc1[N-]c1cc2n(n1)CCCC2 ZINC000286603447 276022232 /nfs/dbraw/zinc/02/22/32/276022232.db2.gz SSVDACVYNNXFHT-UHFFFAOYSA-N -1 0 338.165 3.029 20 5 EGBDRM CN1C(=O)c2ccc(Cl)cc2N[C@H]1c1ccc([O-])c([N+](=O)[O-])c1 ZINC000054430392 289858909 /nfs/dbraw/zinc/85/89/09/289858909.db2.gz HPJAYNDMPAYBKM-CQSZACIVSA-N -1 0 333.731 3.150 20 5 EGBDRM Cc1c(NC(=O)c2nn(-c3ccccc3)cc2[O-])cccc1[N+](=O)[O-] ZINC000344908810 300980528 /nfs/dbraw/zinc/98/05/28/300980528.db2.gz SIVHRKYVVNDWQI-UHFFFAOYSA-N -1 0 338.323 3.047 20 5 EGBDRM Cc1cc(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)ccc1N1CCCC1 ZINC000073170249 301361578 /nfs/dbraw/zinc/36/15/78/301361578.db2.gz GAZYPHGAGJWYLQ-UHFFFAOYSA-N -1 0 341.367 3.461 20 5 EGBDRM O=C(c1c([O-])cccc1F)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000130445798 307628863 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313709055 /nfs/dbraw/zinc/70/90/55/313709055.db2.gz SPJKULMWAYNENI-UHFFFAOYSA-N -1 0 340.335 3.058 20 5 EGBDRM COc1ccnc2c(NC(=O)c3cccc([N+](=O)[O-])c3[O-])cccc12 ZINC000536614088 314130259 /nfs/dbraw/zinc/13/02/59/314130259.db2.gz MYGIGGMQJALQIL-UHFFFAOYSA-N -1 0 339.307 3.110 20 5 EGBDRM O=C(Cc1ccc(-n2cccc2)cc1)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000538871245 314281258 /nfs/dbraw/zinc/28/12/58/314281258.db2.gz WUMKVVVUXXBCSN-UHFFFAOYSA-N -1 0 337.335 3.272 20 5 EGBDRM CN(C(=O)c1cc([N+](=O)[O-])ccc1[O-])[C@@H]1CCCc2ccccc21 ZINC000542792503 314579296 /nfs/dbraw/zinc/57/92/96/314579296.db2.gz BNRSNJUATADZOW-MRXNPFEDSA-N -1 0 326.352 3.450 20 5 EGBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CCC[C@@H]2c2ccccc2)n1 ZINC000563204980 315976507 /nfs/dbraw/zinc/97/65/07/315976507.db2.gz CAMCSCWODKQKLV-CQSZACIVSA-N -1 0 327.340 3.338 20 5 EGBDRM CC(C)[C@]1(C(=O)[O-])CCN(c2nccc3cc([N+](=O)[O-])ccc32)C1 ZINC000564571894 316169483 /nfs/dbraw/zinc/16/94/83/316169483.db2.gz KPKUQKYLEKOWNU-KRWDZBQOSA-N -1 0 329.356 3.080 20 5 EGBDRM CS[C@@H](CNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-])C(C)(C)C ZINC000565484058 316330134 /nfs/dbraw/zinc/33/01/34/316330134.db2.gz WMEIQAOXYRLFAP-ZDUSSCGKSA-N -1 0 326.418 3.412 20 5 EGBDRM Cc1cc(N2CC[C@@]3(C)[C@@H](C2)C3(F)F)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000565778388 316369306 /nfs/dbraw/zinc/36/93/06/316369306.db2.gz YJUNIJOAPZELMZ-RISCZKNCSA-N -1 0 326.299 3.083 20 5 EGBDRM Cc1c(-c2ccc(C3(CO)CC3)cc2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000566021250 316404512 /nfs/dbraw/zinc/40/45/12/316404512.db2.gz RMYOCJAHKQNCGD-UHFFFAOYSA-N -1 0 327.336 3.292 20 5 EGBDRM CCc1nc(CN(C)c2cc(C)c([N+](=O)[O-])cc2C(=O)[O-])cs1 ZINC000566295824 316451861 /nfs/dbraw/zinc/45/18/61/316451861.db2.gz YUUYMJXOOZYXEZ-UHFFFAOYSA-N -1 0 335.385 3.257 20 5 EGBDRM O=C([O-])CC1CCN(c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)CC1 ZINC000566297437 316452249 /nfs/dbraw/zinc/45/22/49/316452249.db2.gz LNHVRQNEUPXTQU-UHFFFAOYSA-N -1 0 347.396 3.409 20 5 EGBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CCC[C@@H]2c2ccc(F)cc2)n1 ZINC000570098789 317006829 /nfs/dbraw/zinc/00/68/29/317006829.db2.gz XAFUDALQKUACLZ-CQSZACIVSA-N -1 0 345.330 3.477 20 5 EGBDRM Cc1cccnc1C(C)(C)CNc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000571804749 317250102 /nfs/dbraw/zinc/25/01/02/317250102.db2.gz XZFWIKXXYWNZBX-UHFFFAOYSA-N -1 0 329.356 3.386 20 5 EGBDRM Cc1cnc([C@H](C)CNc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])s1 ZINC000573924753 317543066 /nfs/dbraw/zinc/54/30/66/317543066.db2.gz WXPBHIIFADMEPZ-SECBINFHSA-N -1 0 335.385 3.202 20 5 EGBDRM Cc1nc2[nH]c(-c3ccc([N+](=O)[O-])c([O-])c3)nc2cc1Br ZINC000178983131 323364155 /nfs/dbraw/zinc/36/41/55/323364155.db2.gz GBVHRTRBXIUJMS-UHFFFAOYSA-N -1 0 349.144 3.310 20 5 EGBDRM CSCC1CCC(Nc2nccc(C(=O)[O-])c2[N+](=O)[O-])CC1 ZINC000385370254 324262296 /nfs/dbraw/zinc/26/22/96/324262296.db2.gz KOKXBSIKKKXYEX-UHFFFAOYSA-N -1 0 325.390 3.022 20 5 EGBDRM C[C@@H](C(=O)[O-])N(C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CCC1 ZINC000578954217 325040322 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333.369 3.399 20 5 EGBDRM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1cccc(Cl)c1F ZINC000007387655 453068376 /nfs/dbraw/zinc/06/83/76/453068376.db2.gz QWMXAVVQYFIEFZ-UHFFFAOYSA-N -1 0 330.724 3.188 20 5 EGBDRM O=C([N-]c1nnc(Cc2ccccc2)s1)c1ccc([N+](=O)[O-])s1 ZINC000021564378 453678104 /nfs/dbraw/zinc/67/81/04/453678104.db2.gz VOVCFXUAKCUQDI-UHFFFAOYSA-N -1 0 346.393 3.351 20 5 EGBDRM CCCCCc1nnc(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)s1 ZINC000026559310 453802848 /nfs/dbraw/zinc/80/28/48/453802848.db2.gz UJMZAZYNPKUFHC-UHFFFAOYSA-N -1 0 336.373 3.137 20 5 EGBDRM C[C@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000077108595 454064116 /nfs/dbraw/zinc/06/41/16/454064116.db2.gz OHTJLBFXCIKAJT-SMDDNHRTSA-N -1 0 344.342 3.458 20 5 EGBDRM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2cc(Cl)ccn2)cc1C ZINC000088330307 454099554 /nfs/dbraw/zinc/09/95/54/454099554.db2.gz JQIQAOCNOIEXGZ-UHFFFAOYSA-N -1 0 341.776 3.061 20 5 EGBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])C1(c2cccc(F)c2)CCC1 ZINC000089531757 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C[C@H](C(=O)O[C@H]1CCCC[C@H]1C(=O)[O-])c1ccc([N+](=O)[O-])cc1F ZINC001589542887 987256560 /nfs/dbraw/zinc/25/65/60/987256560.db2.gz IBHCAFRYLHMSEL-BHYNMZESSA-N -1 0 339.319 3.024 20 5 EGBDRM CCc1ccc(C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2C)cc1 ZINC001597504011 988073371 /nfs/dbraw/zinc/07/33/71/988073371.db2.gz ZHSICAZDDMTJOK-UHFFFAOYSA-N -1 0 328.324 3.416 20 5 EGBDRM CSCCc1ccc(Nc2nc(C(=O)[O-])ccc2[N+](=O)[O-])cc1 ZINC001599801890 988190213 /nfs/dbraw/zinc/19/02/13/988190213.db2.gz JDGRBEMANABEGI-UHFFFAOYSA-N -1 0 333.369 3.337 20 5 EGBDRM CSc1cc(C)ccc1CNc1nc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001599806971 988271709 /nfs/dbraw/zinc/27/17/09/988271709.db2.gz GPOJTGIUAXNJFS-UHFFFAOYSA-N -1 0 333.369 3.330 20 5 EGBDRM CCc1cccc(C(=O)[O-])c1NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC001597572773 988355666 /nfs/dbraw/zinc/35/56/66/988355666.db2.gz MZXHADCCTNGTIU-UHFFFAOYSA-N -1 0 342.351 3.427 20 5 EGBDRM CCc1cccc(NCc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)c1 ZINC001597598196 988450767 /nfs/dbraw/zinc/45/07/67/988450767.db2.gz SHSXPNYEKYFQBD-UHFFFAOYSA-N -1 0 330.340 3.233 20 5 EGBDRM C[C@@H]1CN(C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C[C@H]1C(=O)[O-] ZINC001599859696 989148191 /nfs/dbraw/zinc/14/81/91/989148191.db2.gz ROYKVUKMJGGADP-ZYHUDNBSSA-N -1 0 349.387 3.077 20 5 EGBDRM CC(C)(C)c1ccc(C(=O)NC2(C(=O)[O-])CCCCC2)cc1[N+](=O)[O-] ZINC001590475064 990048374 /nfs/dbraw/zinc/04/83/74/990048374.db2.gz FGEZIZLXMDFDKC-UHFFFAOYSA-N -1 0 348.399 3.410 20 5 EGBDRM CC(C)[C@@H](C(=O)Oc1ccc(C(=O)[O-])c([N+](=O)[O-])c1)c1cccnc1 ZINC001590961471 991059345 /nfs/dbraw/zinc/05/93/45/991059345.db2.gz RFLPGJVOTCTRMA-OAHLLOKOSA-N -1 0 344.323 3.033 20 5 EGBDRM CN(Cc1cc(F)c(F)c(F)c1)c1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001598506834 992515216 /nfs/dbraw/zinc/51/52/16/992515216.db2.gz CGZYNHXINPSVAK-UHFFFAOYSA-N -1 0 340.257 3.347 20 5 EGBDRM COc1cccc(CN(C)c2cc(C)c([N+](=O)[O-])cc2C(=O)[O-])c1 ZINC001599671095 994814076 /nfs/dbraw/zinc/81/40/76/994814076.db2.gz ZGSGEJQZFHHQKJ-UHFFFAOYSA-N 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CO[C@H]1CCC[C@@H]1CNc1ccc([N+](=O)[O-])c(C(=O)[O-])c1Cl ZINC001599114657 997631473 /nfs/dbraw/zinc/63/14/73/997631473.db2.gz OLERVCAVCYDQLT-KCJUWKMLSA-N -1 0 328.752 3.173 20 5 EGBDRM COc1ccc(C)cc1[C@@H](C)NCc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001599535642 997739596 /nfs/dbraw/zinc/73/95/96/997739596.db2.gz GJGANEOZTQCQOX-GFCCVEGCSA-N -1 0 344.367 3.461 20 5 EGBDRM CC1=C(C(=O)[O-])[C@H](c2ccc([N+](=O)[O-])cc2)NC(=O)N1CCC(C)C ZINC001594098025 998077297 /nfs/dbraw/zinc/07/72/97/998077297.db2.gz NXSNMKNYPYSTOO-HNNXBMFYSA-N -1 0 347.371 3.066 20 5 EGBDRM COc1cc([N+](=O)[O-])ccc1CNc1c(F)cc(C(=O)[O-])cc1F ZINC001599462388 998296183 /nfs/dbraw/zinc/29/61/83/998296183.db2.gz QEZRUNACPOMMPS-UHFFFAOYSA-N -1 0 338.266 3.192 20 5 EGBDRM O=C(Nc1nc(-c2ccco2)cs1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000076383215 304013612 /nfs/dbraw/zinc/01/36/12/304013612.db2.gz GPTGIKJLPMPUBS-UHFFFAOYSA-N -1 0 331.309 3.269 20 5 EGBDRM CC[C@@H](NC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1)c1cccc([N+](=O)[O-])c1 ZINC000262739942 245155901 /nfs/dbraw/zinc/15/59/01/245155901.db2.gz WDFOGWOGZSOBBU-LALPHHSUSA-N -1 0 334.372 3.053 20 5 EGBDRM CCC[C@H](CNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)C(=O)[O-] ZINC000263226427 245364288 /nfs/dbraw/zinc/36/42/88/245364288.db2.gz RPELDXFNJNZGHF-SECBINFHSA-N -1 0 336.369 3.040 20 5 EGBDRM O=C([O-])C1(CC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)CCCCCC1 ZINC000013253713 211537935 /nfs/dbraw/zinc/53/79/35/211537935.db2.gz QUOSGXQLXBQOPJ-UHFFFAOYSA-N -1 0 338.335 3.488 20 5 EGBDRM CCCOc1ccccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000005121360 210395099 /nfs/dbraw/zinc/39/50/99/210395099.db2.gz CZCSWDVXPYHCKR-UHFFFAOYSA-N -1 0 336.369 3.184 20 5 EGBDRM CCC(CC)[C@@H]1C[C@H](NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)CCO1 ZINC000119767610 221395885 /nfs/dbraw/zinc/39/58/85/221395885.db2.gz YABZTSXBYDENAB-CJNGLKHVSA-N -1 0 336.388 3.014 20 5 EGBDRM CSc1cccc(NC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1 ZINC000013253147 140766059 /nfs/dbraw/zinc/76/60/59/140766059.db2.gz OUHHHPRSMCCGNL-UHFFFAOYSA-N -1 0 332.337 3.267 20 5 EGBDRM C[C@@H](c1ccccc1F)N(C)C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000237601982 141009774 /nfs/dbraw/zinc/00/97/74/141009774.db2.gz RAZMKIQYUACRLZ-JTQLQIEISA-N -1 0 346.314 3.265 20 5 EGBDRM CC(C)OCc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000356292990 141337399 /nfs/dbraw/zinc/33/73/99/141337399.db2.gz KVBJHOGZLAPTDG-UHFFFAOYSA-N -1 0 330.340 3.478 20 5 EGBDRM CSc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1 ZINC000172182183 144017014 /nfs/dbraw/zinc/01/70/14/144017014.db2.gz AMGQCHRBMDIIAH-UHFFFAOYSA-N -1 0 338.410 3.426 20 5 EGBDRM CC(C)C[C@@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)C(=O)[O-] ZINC000178288084 144068440 /nfs/dbraw/zinc/06/84/40/144068440.db2.gz KQTOKJXOFBXMSE-LLVKDONJSA-N -1 0 336.369 3.039 20 5 EGBDRM CCO[C@@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)C12CCCCC2 ZINC000357600609 286275677 /nfs/dbraw/zinc/27/56/77/286275677.db2.gz BCVKXWMAIYYHDW-HZPDHXFCSA-N -1 0 348.399 3.158 20 5 EGBDRM Cc1sc(S(=O)(=O)[N-]c2cccc(F)c2F)cc1[N+](=O)[O-] 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CHWQYCJHEMWHHI-SNVBAGLBSA-N -1 0 338.319 3.021 20 5 EGBDRM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CCc2c(Cl)cccc2C1 ZINC000157991836 264844953 /nfs/dbraw/zinc/84/49/53/264844953.db2.gz ICRUCTWHVDEOSD-UHFFFAOYSA-N -1 0 332.743 3.152 20 5 EGBDRM COc1ccc([C@H](C)N(C)C(=O)c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000179410708 265374796 /nfs/dbraw/zinc/37/47/96/265374796.db2.gz SUKKGUBUIZGSRN-NSHDSACASA-N -1 0 330.340 3.142 20 5 EGBDRM CCc1ccc(C(=O)Nc2ccc(C)c(C(=O)[O-])c2)cc1[N+](=O)[O-] ZINC000237144978 266224687 /nfs/dbraw/zinc/22/46/87/266224687.db2.gz ZAKXJKUYYPOUOC-UHFFFAOYSA-N -1 0 328.324 3.416 20 5 EGBDRM COCCN(C(=O)c1ccc([N+](=O)[O-])cc1[O-])[C@@H](C)c1ccccc1 ZINC000274696715 267273982 /nfs/dbraw/zinc/27/39/82/267273982.db2.gz SJYDFVSRCBYGGT-ZDUSSCGKSA-N -1 0 344.367 3.150 20 5 EGBDRM C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000013094873 275120499 /nfs/dbraw/zinc/12/04/99/275120499.db2.gz VAUUXCXTMUEJSW-JTQLQIEISA-N -1 0 346.364 3.412 20 5 EGBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1cccc(OC(F)(F)F)c1 ZINC000092545941 275154577 /nfs/dbraw/zinc/15/45/77/275154577.db2.gz FKANMGIUDOYKPR-UHFFFAOYSA-N -1 0 342.229 3.451 20 5 EGBDRM C[C@@H]1CCc2ccccc2[C@H]1NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000356725529 287824578 /nfs/dbraw/zinc/82/45/78/287824578.db2.gz JQOFABZQFIHWHW-DIFFPNOSSA-N -1 0 326.352 3.354 20 5 EGBDRM Cc1ccc([N+](=O)[O-])c(C)c1[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC000091054696 307462260 /nfs/dbraw/zinc/46/22/60/307462260.db2.gz ASLGRQOHBUSYGS-UHFFFAOYSA-N -1 0 342.323 3.291 20 5 EGBDRM COc1cccc([C@H](C)CC(=O)Nc2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000092550003 307465645 /nfs/dbraw/zinc/46/56/45/307465645.db2.gz LLDVDOWBQGUXJK-LLVKDONJSA-N -1 0 330.340 3.441 20 5 EGBDRM C[C@H](CCc1ccccc1)NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000237507663 307945013 /nfs/dbraw/zinc/94/50/13/307945013.db2.gz BGLWOPFVWLSMLS-GFCCVEGCSA-N -1 0 342.351 3.044 20 5 EGBDRM Cn1cccc1S(=O)(=O)[N-]c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000414388203 309077132 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345.409 3.142 20 5 EGBDRM C[C@@H](CS(=O)(=O)[N-]c1cc(F)cc([N+](=O)[O-])c1)c1ccccc1 ZINC000475829385 310818108 /nfs/dbraw/zinc/81/81/08/310818108.db2.gz HRKKKWRPMYMUEF-NSHDSACASA-N -1 0 338.360 3.279 20 5 EGBDRM C[C@@H](Cc1cccs1)N=c1[n-]c(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000486152169 310988648 /nfs/dbraw/zinc/98/86/48/310988648.db2.gz DFGATILVIJOSSI-JTQLQIEISA-N -1 0 330.369 3.171 20 5 EGBDRM CS[C@H]1CCC[C@H](N=c2[n-]c(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000486978729 311005262 /nfs/dbraw/zinc/00/52/62/311005262.db2.gz CRJAFHFFIQZZHA-AAEUAGOBSA-N -1 0 334.401 3.153 20 5 EGBDRM Cc1ccc(C(=O)[O-])cc1NC(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000492154149 311221863 /nfs/dbraw/zinc/22/18/63/311221863.db2.gz IMSQXKNOODNWNQ-ALCCZGGFSA-N -1 0 344.298 3.392 20 5 EGBDRM O=C([O-])Cc1ccccc1NC(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000493302954 311357115 /nfs/dbraw/zinc/35/71/15/311357115.db2.gz MFEOAPQMAABWGC-VURMDHGXSA-N -1 0 344.298 3.013 20 5 EGBDRM O=C(/C=C/c1cncs1)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] 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O=C(N[C@@H]1CCC[C@H](C(F)(F)F)C1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000164099137 454873995 /nfs/dbraw/zinc/87/39/95/454873995.db2.gz PFYZPYWGTFCPGG-VHSXEESVSA-N -1 0 332.278 3.151 20 5 EGBDRM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-]c1ccc(F)c(Cl)c1 ZINC000128196939 455034379 /nfs/dbraw/zinc/03/43/79/455034379.db2.gz DQLVHCLKKSEOLZ-UHFFFAOYSA-N -1 0 348.714 3.327 20 5 EGBDRM COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000158548566 455312007 /nfs/dbraw/zinc/31/20/07/455312007.db2.gz KZXGZFXDMZLIME-UHFFFAOYSA-N -1 0 336.369 3.021 20 5 EGBDRM COc1ccc2c(c1NC(=O)c1ccc([O-])c([N+](=O)[O-])c1)CCC2 ZINC000190854040 455391688 /nfs/dbraw/zinc/39/16/88/455391688.db2.gz WKAGRGVGZBXLTM-UHFFFAOYSA-N -1 0 328.324 3.050 20 5 EGBDRM CCc1nc(C)c([C@@H](C)N(C)C(=O)c2cc([N+](=O)[O-])ccc2[O-])s1 ZINC000182044476 455423172 /nfs/dbraw/zinc/42/31/72/455423172.db2.gz RUFAOBLYTNWUKW-SNVBAGLBSA-N -1 0 349.412 3.461 20 5 EGBDRM C[C@@H]1[C@@H](c2ccccc2)CCN1C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000182088552 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EGBDRM CCc1ccc(O)c([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)c1 ZINC000119284719 152191784 /nfs/dbraw/zinc/19/17/84/152191784.db2.gz PRTPIYCHDVBUHB-UHFFFAOYSA-N -1 0 342.398 3.034 20 5 EGBDRM O=C([O-])c1cccc(NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)c1 ZINC000238139699 153563985 /nfs/dbraw/zinc/56/39/85/153563985.db2.gz PIKBYSIITFLINU-UHFFFAOYSA-N -1 0 343.339 3.124 20 5 EGBDRM Cc1ccc(S(=O)(=O)[N-]c2cc(F)c(F)cc2F)c([N+](=O)[O-])c1 ZINC000105389609 162056191 /nfs/dbraw/zinc/05/61/91/162056191.db2.gz XXGDFJWPOVGSDA-UHFFFAOYSA-N -1 0 346.286 3.121 20 5 EGBDRM CO[C@@H]1CCC[C@@H](C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000345335088 164204944 /nfs/dbraw/zinc/20/49/44/164204944.db2.gz OSQUKUKUUWGODF-PSASIEDQSA-N -1 0 328.752 3.098 20 5 EGBDRM Cc1cc(C(=O)N[C@@H](C(=O)[O-])c2ccc(Cl)cc2)ccc1[N+](=O)[O-] ZINC000345880742 164285829 /nfs/dbraw/zinc/28/58/29/164285829.db2.gz YWRYFBOWCAVRRX-CQSZACIVSA-N -1 0 348.742 3.112 20 5 EGBDRM CC(C)COc1cccc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])c1 ZINC000352013035 165192032 /nfs/dbraw/zinc/19/20/32/165192032.db2.gz GHRZBYRPKIRMJD-VOTSOKGWSA-N -1 0 331.328 3.001 20 5 EGBDRM O=c1[n-]c(=O)c([N+](=O)[O-])c(C=Cc2nc(-c3ccccc3)cs2)[nH]1 ZINC000352020003 165195135 /nfs/dbraw/zinc/19/51/35/165195135.db2.gz FGHBKDCPYOWYFA-VOTSOKGWSA-N -1 0 342.336 3.090 20 5 EGBDRM CC(C)N(Cc1ccc(F)cc1)C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000355953186 166358543 /nfs/dbraw/zinc/35/85/43/166358543.db2.gz RSIUVVIHFCTLBP-UHFFFAOYSA-N -1 0 332.331 3.490 20 5 EGBDRM Cc1ccccc1C[C@H]1CCCN1C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000356578942 166454138 /nfs/dbraw/zinc/45/41/38/166454138.db2.gz PBXZMEFQRXWOKM-MRXNPFEDSA-N -1 0 340.379 3.456 20 5 EGBDRM CCc1ncsc1[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000358785781 166970851 /nfs/dbraw/zinc/97/08/51/166970851.db2.gz NRMBQVASRAUYQQ-UHFFFAOYSA-N -1 0 347.805 3.068 20 5 EGBDRM COc1ccc([N-]S(=O)(=O)c2ccccc2Cl)cc1[N+](=O)[O-] ZINC000359849543 167248362 /nfs/dbraw/zinc/24/83/62/167248362.db2.gz JDLDORKPVIQGEE-UHFFFAOYSA-N -1 0 342.760 3.058 20 5 EGBDRM COc1ccccc1CN(C(=O)c1cccc([N+](=O)[O-])c1[O-])C1CC1 ZINC000121235322 221793505 /nfs/dbraw/zinc/79/35/05/221793505.db2.gz JKTMNZHYIBXATL-UHFFFAOYSA-N -1 0 342.351 3.114 20 5 EGBDRM CN(Cc1cc2ccccc2o1)C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000164860188 264924640 /nfs/dbraw/zinc/92/46/40/264924640.db2.gz VNRJGLFCPMCGAK-UHFFFAOYSA-N -1 0 326.308 3.319 20 5 EGBDRM COc1ccc([C@H](NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)C(C)C)cc1 ZINC000176291580 265168524 /nfs/dbraw/zinc/16/85/24/265168524.db2.gz BDEKGRSHLUKHEH-QGZVFWFLSA-N -1 0 344.367 3.436 20 5 EGBDRM CCC(CC)c1cc(CNC(=O)c2cc([N+](=O)[O-])ccc2[O-])on1 ZINC000179518029 265381012 /nfs/dbraw/zinc/38/10/12/265381012.db2.gz WCZUDDITDFFEAT-UHFFFAOYSA-N -1 0 333.344 3.122 20 5 EGBDRM COc1ccc(CCCN(C)C(=O)c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000181913745 265413753 /nfs/dbraw/zinc/41/37/53/265413753.db2.gz HVRFDKCFYFWQOG-UHFFFAOYSA-N -1 0 344.367 3.014 20 5 EGBDRM O=C(Nc1ccc(-c2cnco2)cc1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000184674289 265472398 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334.372 3.042 20 5 EGBDRM O=C([N-][C@H](C1CC1)C(F)(F)F)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000288540570 276225580 /nfs/dbraw/zinc/22/55/80/276225580.db2.gz JEPPFHPVVMYWAH-SNVBAGLBSA-N -1 0 338.232 3.144 20 5 EGBDRM Cc1ccc([N+](=O)[O-])c(C)c1[N-]S(=O)(=O)c1c(F)cccc1F ZINC000091054405 307462239 /nfs/dbraw/zinc/46/22/39/307462239.db2.gz LPGBMGAVSFJMAJ-UHFFFAOYSA-N -1 0 342.323 3.291 20 5 EGBDRM CN(Cc1ccc(Cl)s1)C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000130326262 307626895 /nfs/dbraw/zinc/62/68/95/307626895.db2.gz JOYSRSDPGRYTBP-UHFFFAOYSA-N -1 0 326.761 3.288 20 5 EGBDRM Cc1sc(S(=O)(=O)[N-]c2cc(C)ccc2F)cc1[N+](=O)[O-] ZINC000163929305 307925262 /nfs/dbraw/zinc/92/52/62/307925262.db2.gz DRJMUYNKORQWJC-UHFFFAOYSA-N -1 0 330.362 3.213 20 5 EGBDRM O=C([O-])C1CCC(Nc2ccc([N+](=O)[O-])cc2OC(F)F)CC1 ZINC000416433359 309171734 /nfs/dbraw/zinc/17/17/34/309171734.db2.gz ORACUIVHDGLONV-UHFFFAOYSA-N -1 0 330.287 3.252 20 5 EGBDRM O=C([O-])c1coc(CNCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c1 ZINC000426698740 309512951 /nfs/dbraw/zinc/51/29/51/309512951.db2.gz BACPTGVBTPIOEI-UHFFFAOYSA-N -1 0 342.307 3.436 20 5 EGBDRM Cc1cc2cc[nH]c2cc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000436177186 309748838 /nfs/dbraw/zinc/74/88/38/309748838.db2.gz QJVIUDRHAIZDKV-UHFFFAOYSA-N -1 0 345.380 3.494 20 5 EGBDRM O=C(Nc1ccc([C@H]2CCOC2)cc1)c1cccc([N+](=O)[O-])c1[O-] ZINC000436704777 309769307 /nfs/dbraw/zinc/76/93/07/309769307.db2.gz PRFZVOQFLCRNDW-LBPRGKRZSA-N -1 0 328.324 3.057 20 5 EGBDRM CN(CCc1ccccc1[N+](=O)[O-])C(=O)c1ccc([O-])c(Cl)c1 ZINC000436829010 309776584 /nfs/dbraw/zinc/77/65/84/309776584.db2.gz RKDZEXJHPQRIJH-UHFFFAOYSA-N -1 0 334.759 3.269 20 5 EGBDRM CS[C@H]1CCC[C@@H](N=c2[n-]c(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000486978732 311005330 /nfs/dbraw/zinc/00/53/30/311005330.db2.gz CRJAFHFFIQZZHA-YPMHNXCESA-N -1 0 334.401 3.153 20 5 EGBDRM Cc1cscc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000491671276 311187339 /nfs/dbraw/zinc/18/73/39/311187339.db2.gz MZZMFVXOXQYGNN-UHFFFAOYSA-N -1 0 326.399 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315437252 /nfs/dbraw/zinc/43/72/52/315437252.db2.gz XVBLHDWSCMDGLO-UHFFFAOYSA-N -1 0 345.409 3.466 20 5 EGBDRM O=C([O-])c1ccc2c(c1)CN(c1ccc3cc([N+](=O)[O-])ccc3n1)CC2 ZINC000562510483 315842980 /nfs/dbraw/zinc/84/29/80/315842980.db2.gz IJEAHEKIMYLGLN-UHFFFAOYSA-N -1 0 349.346 3.404 20 5 EGBDRM CC(C)[C@@H]1C[C@H](CNc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])CCO1 ZINC000563214160 315978915 /nfs/dbraw/zinc/97/89/15/315978915.db2.gz PNCPSYNXGZCLNX-CJNGLKHVSA-N -1 0 336.388 3.085 20 5 EGBDRM Cc1cc(N2CCC[C@@H](C(F)(F)F)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000563888339 316086192 /nfs/dbraw/zinc/08/61/92/316086192.db2.gz IYNUYCNSMYEILN-SECBINFHSA-N -1 0 332.278 3.380 20 5 EGBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N[C@H]2CCOC3(CCCCC3)C2)n1 ZINC000567975706 316703130 /nfs/dbraw/zinc/70/31/30/316703130.db2.gz ABIWHNTZRMEUFE-LBPRGKRZSA-N -1 0 349.387 3.290 20 5 EGBDRM CCn1c(C)nc([N+](=O)[O-])c1S[C@@H](Cc1ccc(C)cc1)C(=O)[O-] ZINC000571701064 317234861 /nfs/dbraw/zinc/23/48/61/317234861.db2.gz 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Cc1ccccc1[C@H]1CCCN1c1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000578774580 325017210 /nfs/dbraw/zinc/01/72/10/325017210.db2.gz GIBFMQNCODCXJO-CQSZACIVSA-N -1 0 327.340 3.338 20 5 EGBDRM O=C([O-])c1ccnc(N2CCC[C@@H]2c2ccc(F)cc2)c1[N+](=O)[O-] ZINC000579013712 325050916 /nfs/dbraw/zinc/05/09/16/325050916.db2.gz HEJHRVURVYQZQP-CYBMUJFWSA-N -1 0 331.303 3.169 20 5 EGBDRM CCc1nc(CCNc2cc(C)c([N+](=O)[O-])c(C(=O)[O-])c2)cs1 ZINC000580315667 325234003 /nfs/dbraw/zinc/23/40/03/325234003.db2.gz MRLXPHBRASNXOB-UHFFFAOYSA-N -1 0 335.385 3.275 20 5 EGBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N[C@H](C)c2nc3c(s2)CCC3)n1 ZINC000583937264 325564070 /nfs/dbraw/zinc/56/40/70/325564070.db2.gz GTLUHXBZQZPKKI-MRVPVSSYSA-N -1 0 348.384 3.115 20 5 EGBDRM O=C(N[C@@H](C1CCCC1)C(F)(F)F)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000183071213 455222049 /nfs/dbraw/zinc/22/20/49/455222049.db2.gz KIYZVTWTBHDGEV-LBPRGKRZSA-N -1 0 332.278 3.151 20 5 EGBDRM Cc1cccc(S(=O)(=O)[N-]c2ccc3cc([N+](=O)[O-])ccc3n2)c1 ZINC000183132620 455236060 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