smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1nn(C)c(C(=O)N[C@H](C[NH+](C)C)c2ccccc2)c1[N+](=O)[O-] ZINC000098096980 138297631 /nfs/dbraw/zinc/29/76/31/138297631.db2.gz IJLRVZFYJQWJTL-CYBMUJFWSA-N 1 0 331.376 1.669 10 5 EDBERO CC(C)[C@@](C)(C[NH3+])NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000155959097 201397810 /nfs/dbraw/zinc/39/78/10/201397810.db2.gz LVBQMEBXRCEQRB-GFCCVEGCSA-N 1 0 335.813 1.900 10 5 EDBERO COC(=O)[C@H](C)CN(CC[NH+](C)C)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000071638405 203100888 /nfs/dbraw/zinc/10/08/88/203100888.db2.gz GOWXDFPOORWFBA-GFCCVEGCSA-N 1 0 337.376 1.408 10 5 EDBERO CCOc1cc(C(=O)N[C@H]2CCC[NH2+][C@H]2C)c([N+](=O)[O-])cc1OC ZINC000193517364 138971491 /nfs/dbraw/zinc/97/14/91/138971491.db2.gz YXSUWGMDRIWCCL-JQWIXIFHSA-N 1 0 337.376 1.872 10 5 EDBERO C[NH2+][C@@H]1CCN(c2ccc(I)cc2[N+](=O)[O-])C1 ZINC000129147178 532972361 /nfs/dbraw/zinc/97/23/61/532972361.db2.gz RNJOHWNSMSEHBF-SECBINFHSA-N 1 0 347.156 1.998 10 5 EDBERO Cc1cc(Br)c(NC(=O)[C@H]2COC[C@@H]2[NH3+])cc1[N+](=O)[O-] ZINC000169226325 226235416 /nfs/dbraw/zinc/23/54/16/226235416.db2.gz AUZZNBQEWUNHPH-CBAPKCEASA-N 1 0 344.165 1.578 10 5 EDBERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000113230001 441591079 /nfs/dbraw/zinc/59/10/79/441591079.db2.gz LRJIYTXQTMOIFR-VXGBXAGGSA-N 1 0 337.351 1.808 10 5 EDBERO COc1ccc(OCC[N@@H+]2CCC[C@H](n3cncn3)C2)c([N+](=O)[O-])c1 ZINC000173652037 441814190 /nfs/dbraw/zinc/81/41/90/441814190.db2.gz OVJDUMAQRRVIJR-ZDUSSCGKSA-N 1 0 347.375 1.911 10 5 EDBERO Cc1cc(N2CCC[C@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3)C2=O)n(C)n1 ZINC000173850660 441850423 /nfs/dbraw/zinc/85/04/23/441850423.db2.gz HJLZEIJNTFVERU-HNNXBMFYSA-N 1 0 343.387 1.922 10 5 EDBERO CC[NH+](CC)[C@H]1CCN(c2ccc([N+](=O)[O-])c(S(C)(=O)=O)c2)C1 ZINC000125650699 442039108 /nfs/dbraw/zinc/03/91/08/442039108.db2.gz WUNTWXYWHXZXKA-ZDUSSCGKSA-N 1 0 341.433 1.919 10 5 EDBERO O=C(CCc1cccc([N+](=O)[O-])c1)N1CC[C@H](N2CCOCC2)C1 ZINC000120886628 442147265 /nfs/dbraw/zinc/14/72/65/442147265.db2.gz OVOGVQNEDLNNOJ-INIZCTEOSA-N 1 0 333.388 1.461 10 5 EDBERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000155094751 442375358 /nfs/dbraw/zinc/37/53/58/442375358.db2.gz ZWFYWZQEYKSQDY-DOMZBBRYSA-N 1 0 341.433 1.743 10 5 EDBERO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCC[C@H](n3cncn3)C2)c1 ZINC000171617991 442362960 /nfs/dbraw/zinc/36/29/60/442362960.db2.gz LZFHJGJTYMZTFM-LSDHHAIUSA-N 1 0 347.375 1.263 10 5 EDBERO [NH3+][C@@H]1CCC[C@H](C(=O)N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)C1 ZINC000246697783 442804541 /nfs/dbraw/zinc/80/45/41/442804541.db2.gz VZLHHRUBAMDNRV-YNEHKIRRSA-N 1 0 333.392 1.520 10 5 EDBERO CCOCCN1CCN(C(=O)Nc2ccncc2[N+](=O)[O-])C[C@H]1C ZINC000183554076 442940657 /nfs/dbraw/zinc/94/06/57/442940657.db2.gz LMORSXAWMZGEGD-GFCCVEGCSA-N 1 0 337.380 1.564 10 5 EDBERO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC[C@H]1C[NH3+] ZINC000237477337 443173690 /nfs/dbraw/zinc/17/36/90/443173690.db2.gz KLJDAAXPIWNFNN-KOLCDFICSA-N 1 0 327.768 1.965 10 5 EDBERO Cc1cc(N2CCC(O)(C[NH3+])CC2)c(Br)cc1[N+](=O)[O-] ZINC000397488191 319134590 /nfs/dbraw/zinc/13/45/90/319134590.db2.gz JUQBIPUILWKHIG-UHFFFAOYSA-N 1 0 344.209 1.956 10 5 EDBERO C[N+](C)(C)CCOC(=O)[C@@]1(O)c2ccccc2CCc2ncccc21 ZINC000031575481 717120224 /nfs/dbraw/zinc/12/02/24/717120224.db2.gz PQHXUDOSXFRILX-HXUWFJFHSA-N 1 0 341.431 1.666 10 5 EDBERO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC[C@H](Oc2cccnc2)C1 ZINC000090552744 138279527 /nfs/dbraw/zinc/27/95/27/138279527.db2.gz VITLGVLCLKDSMA-HNNXBMFYSA-N 1 0 330.344 1.305 10 5 EDBERO C[C@@H]1C[C@@H]([NH3+])CCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000156145328 201399396 /nfs/dbraw/zinc/39/93/96/201399396.db2.gz MPXANAVZSIKGOG-BDAKNGLRSA-N 1 0 333.797 1.749 10 5 EDBERO O=C(Nc1ccc(Br)cc1[N+](=O)[O-])[C@H]1C[NH2+]CCO1 ZINC000043709068 204287801 /nfs/dbraw/zinc/28/78/01/204287801.db2.gz BGRZDKLYPKHKDS-SNVBAGLBSA-N 1 0 330.138 1.284 10 5 EDBERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000246814223 139122702 /nfs/dbraw/zinc/12/27/02/139122702.db2.gz CFWIRVAWLAFKON-WFASDCNBSA-N 1 0 346.387 1.020 10 5 EDBERO CC[N@@H+]1CCC[C@@H](NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000194659393 273004713 /nfs/dbraw/zinc/00/47/13/273004713.db2.gz URVOQOJZXMMEQE-CQSZACIVSA-N 1 0 343.387 1.995 10 5 EDBERO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CC[C@@H]([NH3+])C(C)(C)C2)c1C ZINC000261611536 278744968 /nfs/dbraw/zinc/74/49/68/278744968.db2.gz BCBHIXBQTBJKEY-CQSZACIVSA-N 1 0 341.433 1.960 10 5 EDBERO CC[C@H]1CN(C(=O)Cc2ccccc2[N+](=O)[O-])CC[N@@H+]1C[C@H](C)O ZINC000246853042 281133498 /nfs/dbraw/zinc/13/34/98/281133498.db2.gz NCKAXSWFHXOVIS-ZFWWWQNUSA-N 1 0 335.404 1.441 10 5 EDBERO CC1(C)CN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000262528509 281267656 /nfs/dbraw/zinc/26/76/56/281267656.db2.gz PEWHQLZHWBREFT-CYBMUJFWSA-N 1 0 327.406 1.562 10 5 EDBERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000113232814 441591155 /nfs/dbraw/zinc/59/11/55/441591155.db2.gz RGKYMESPRRWLQM-GXTWGEPZSA-N 1 0 347.371 1.481 10 5 EDBERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000121869735 441799727 /nfs/dbraw/zinc/79/97/27/441799727.db2.gz WSVHSOYTSFIVIS-ZDUSSCGKSA-N 1 0 336.392 1.626 10 5 EDBERO C[NH+](C)[C@H]1CCCN(c2ccc([N+](=O)[O-])c(S(C)(=O)=O)c2)C1 ZINC000124522092 441933655 /nfs/dbraw/zinc/93/36/55/441933655.db2.gz SDYHZVJRSQNDCW-LBPRGKRZSA-N 1 0 327.406 1.529 10 5 EDBERO CN(C[C@H]1CCC[N@H+](C)C1)c1ccc([N+](=O)[O-])c(S(C)(=O)=O)c1 ZINC000125203063 441996515 /nfs/dbraw/zinc/99/65/15/441996515.db2.gz ZJEWKFCAEGXTBA-LBPRGKRZSA-N 1 0 341.433 1.776 10 5 EDBERO O=C(CCc1cccc([N+](=O)[O-])c1)N1CC[C@@H](N2CCOCC2)C1 ZINC000120886766 442147005 /nfs/dbraw/zinc/14/70/05/442147005.db2.gz OVOGVQNEDLNNOJ-MRXNPFEDSA-N 1 0 333.388 1.461 10 5 EDBERO C[NH2+]CCN(C)c1ccc(I)cc1[N+](=O)[O-] ZINC000085101261 138270465 /nfs/dbraw/zinc/27/04/65/138270465.db2.gz OWFRLWBLPMVUSN-UHFFFAOYSA-N 1 0 335.145 1.855 10 5 EDBERO CC(=O)N[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000077169955 201181433 /nfs/dbraw/zinc/18/14/33/201181433.db2.gz UXGCUONYUMSMPV-CQSZACIVSA-N 1 0 334.376 1.524 10 5 EDBERO C[C@H]1C[C@H]([NH3+])CCN1S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000156150979 201399239 /nfs/dbraw/zinc/39/92/39/201399239.db2.gz DPOBOPRHLMCKGC-DTWKUNHWSA-N 1 0 333.797 1.749 10 5 EDBERO C[C@H]1C[C@@H]([NH3+])CCN1S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)s1 ZINC000156145954 201399651 /nfs/dbraw/zinc/39/96/51/201399651.db2.gz JKQSNPMBJYHSHH-BQBZGAKWSA-N 1 0 339.826 1.810 10 5 EDBERO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000246298403 139102920 /nfs/dbraw/zinc/10/29/20/139102920.db2.gz NUALXBCVNADSDF-WHOFXGATSA-N 1 0 348.403 1.347 10 5 EDBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CC(=O)N(CCC[NH+](C)C)C1 ZINC000170574202 206578687 /nfs/dbraw/zinc/57/86/87/206578687.db2.gz LYQBEOCBYYQVAS-CYBMUJFWSA-N 1 0 348.403 1.642 10 5 EDBERO C[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc2c(c1)OCCO2 ZINC000174704420 207047516 /nfs/dbraw/zinc/04/75/16/207047516.db2.gz CKSBMBHUQIVTEE-FZMZJTMJSA-N 1 0 348.359 1.274 10 5 EDBERO NNc1cccc(Cn2cc([N+](=O)[O-])cc(Br)c2=O)[nH+]1 ZINC000165425769 226123553 /nfs/dbraw/zinc/12/35/53/226123553.db2.gz BWEILQQBAORRGS-UHFFFAOYSA-N 1 0 340.137 1.248 10 5 EDBERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000113306177 274374425 /nfs/dbraw/zinc/37/44/25/274374425.db2.gz SPZFWMQDDLAJIS-DGCLKSJQSA-N 1 0 325.390 1.452 10 5 EDBERO O=[N+]([O-])c1cc(I)ccc1N1CC[NH2+]CC1 ZINC000085101174 275033866 /nfs/dbraw/zinc/03/38/66/275033866.db2.gz YFPMLRAOTJAHPY-UHFFFAOYSA-N 1 0 333.129 1.609 10 5 EDBERO Cc1nc(C[C@H]2CCC[N@H+](CCn3cc([N+](=O)[O-])ccc3=O)C2)no1 ZINC000090525863 441632607 /nfs/dbraw/zinc/63/26/07/441632607.db2.gz KHJACFZBABUQFQ-CYBMUJFWSA-N 1 0 347.375 1.403 10 5 EDBERO Cn1cc([C@H]2CC[N@H+](C[C@H](O)COc3cccc([N+](=O)[O-])c3)C2)cn1 ZINC000116323304 441812796 /nfs/dbraw/zinc/81/27/96/441812796.db2.gz FFLSGFRVKJXOPJ-BBRMVZONSA-N 1 0 346.387 1.558 10 5 EDBERO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000116790173 441847320 /nfs/dbraw/zinc/84/73/20/441847320.db2.gz XSTABWJRHXYWFM-ZDUSSCGKSA-N 1 0 336.392 1.063 10 5 EDBERO CNC(=O)[C@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)C(C)C ZINC000183653072 442949884 /nfs/dbraw/zinc/94/98/84/442949884.db2.gz UBPPKXBLXARKRQ-OAHLLOKOSA-N 1 0 336.392 1.592 10 5 EDBERO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC[C@@H]1C[NH3+] ZINC000237477269 443173717 /nfs/dbraw/zinc/17/37/17/443173717.db2.gz KLJDAAXPIWNFNN-MWLCHTKSSA-N 1 0 327.768 1.965 10 5 EDBERO Cc1nn(CCC(=O)N[C@H](CC(C)C)C[NH+](C)C)c(C)c1[N+](=O)[O-] ZINC000102339808 219196427 /nfs/dbraw/zinc/19/64/27/219196427.db2.gz XCTRSJOMVVVGAV-CQSZACIVSA-N 1 0 339.440 1.891 10 5 EDBERO Cn1cc(C[NH2+]C[C@H]2CN(C)CCO2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000105471047 204147064 /nfs/dbraw/zinc/14/70/64/204147064.db2.gz WSGOHWRJIYIDEF-INIZCTEOSA-N 1 0 345.403 1.416 10 5 EDBERO COc1cc(CN2CCO[C@@H](C[NH+](C)C)C2)c([N+](=O)[O-])cc1OC ZINC000128151329 205133940 /nfs/dbraw/zinc/13/39/40/205133940.db2.gz GEGVYEVPUUJPKI-ZDUSSCGKSA-N 1 0 339.392 1.374 10 5 EDBERO COCC[C@@H]([NH3+])C(=O)Nc1ccc(Br)cc1[N+](=O)[O-] ZINC000052792622 206114772 /nfs/dbraw/zinc/11/47/72/206114772.db2.gz PYVMAIAQZMNNTD-MRVPVSSYSA-N 1 0 332.154 1.660 10 5 EDBERO C[NH2+]CCCN(C)S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)s1 ZINC000157438595 206135690 /nfs/dbraw/zinc/13/56/90/206135690.db2.gz KODCNHSQMVTWLF-UHFFFAOYSA-N 1 0 327.815 1.540 10 5 EDBERO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000247368699 139146092 /nfs/dbraw/zinc/14/60/92/139146092.db2.gz DRHPCOWJKSOXBM-ZDUSSCGKSA-N 1 0 325.390 1.372 10 5 EDBERO CCn1cc(C2CC[NH+](CCn3cc([N+](=O)[O-])ccc3=O)CC2)cn1 ZINC000090523892 441632703 /nfs/dbraw/zinc/63/27/03/441632703.db2.gz GABQGUDFFZIJTG-UHFFFAOYSA-N 1 0 345.403 1.853 10 5 EDBERO C[C@@H](O)C[N@@H+]1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000120676399 442115446 /nfs/dbraw/zinc/11/54/46/442115446.db2.gz HYESYHXSUIVXMW-ZIAGYGMSSA-N 1 0 335.404 1.441 10 5 EDBERO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000172802446 442546429 /nfs/dbraw/zinc/54/64/29/442546429.db2.gz KJUAIUMTYCYPQM-CQSZACIVSA-N 1 0 348.403 1.712 10 5 EDBERO CN(Cc1cccnc1)C[C@H]1CC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000195274486 443003166 /nfs/dbraw/zinc/00/31/66/443003166.db2.gz FGWZJIIMAJNPHP-MRXNPFEDSA-N 1 0 344.419 1.640 10 5 EDBERO COc1ccc(NC(=O)CN2CC[N@@H+]3CCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000246232362 536766686 /nfs/dbraw/zinc/76/66/86/536766686.db2.gz CIXAMZSOLWRQJQ-LBPRGKRZSA-N 1 0 334.376 1.322 10 5 EDBERO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CCC[NH2+][C@H]1C ZINC000193451771 695778686 /nfs/dbraw/zinc/77/86/86/695778686.db2.gz BGPYIOSRNDSSFE-GWCFXTLKSA-N 1 0 327.406 1.576 10 5 EDBERO CC(C)C[C@H](C[NH+](C)C)NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000188220411 138834525 /nfs/dbraw/zinc/83/45/25/138834525.db2.gz ZICROWWZYWQAMF-GFCCVEGCSA-N 1 0 329.422 1.849 10 5 EDBERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000246824286 139123253 /nfs/dbraw/zinc/12/32/53/139123253.db2.gz LKRDKLXPKKVJNF-KGLIPLIRSA-N 1 0 332.404 1.726 10 5 EDBERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000246974711 139129233 /nfs/dbraw/zinc/12/92/33/139129233.db2.gz DTKVCHJAAKZTGO-PWSUYJOCSA-N 1 0 343.380 1.591 10 5 EDBERO CC(C)OC(=O)C[C@@H](NC(=O)C1C[NH2+]C1)c1ccccc1[N+](=O)[O-] ZINC000262154640 139255751 /nfs/dbraw/zinc/25/57/51/139255751.db2.gz AHDCVEYPBXUBDV-CYBMUJFWSA-N 1 0 335.360 1.313 10 5 EDBERO CC[N@@H+]1CCC[C@@H](NC(=O)c2cc(C(=O)OC)cc([N+](=O)[O-])c2)C1 ZINC000194631970 273004408 /nfs/dbraw/zinc/00/44/08/273004408.db2.gz PPBSSYWKRNZYHE-CYBMUJFWSA-N 1 0 335.360 1.596 10 5 EDBERO C[C@H]1CN(c2ccc(I)cc2[N+](=O)[O-])C[C@@H]1[NH3+] ZINC000235663197 274593693 /nfs/dbraw/zinc/59/36/93/274593693.db2.gz IYDWEJUKPBTCJR-CBAPKCEASA-N 1 0 347.156 1.983 10 5 EDBERO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H](C)C[C@@H]1C[NH3+] ZINC000261618963 277432169 /nfs/dbraw/zinc/43/21/69/277432169.db2.gz BYGZVBJRDQKWIM-CMPLNLGQSA-N 1 0 343.405 1.351 10 5 EDBERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000173727594 281195242 /nfs/dbraw/zinc/19/52/42/281195242.db2.gz WJUIXQGYGPGHFV-GXTWGEPZSA-N 1 0 339.417 1.842 10 5 EDBERO C[C@H]([NH2+][C@@H]1CCc2ncnn2C1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000105870587 441300264 /nfs/dbraw/zinc/30/02/64/441300264.db2.gz SLKCEJJRPHFMCO-WDEREUQCSA-N 1 0 330.348 1.118 10 5 EDBERO Cc1ccc(S(=O)(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000173886996 441856442 /nfs/dbraw/zinc/85/64/42/441856442.db2.gz NWUPEMZXRLOVKH-GXTWGEPZSA-N 1 0 341.433 1.910 10 5 EDBERO Cc1nc(C)n(C[C@H]2CCC[N@H+](CCn3ccc([N+](=O)[O-])n3)C2)n1 ZINC000176233841 442196716 /nfs/dbraw/zinc/19/67/16/442196716.db2.gz BFKIYSXLTMFDBY-AWEZNQCLSA-N 1 0 333.396 1.412 10 5 EDBERO COC(=O)c1cc(C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)cc([N+](=O)[O-])c1 ZINC000155348774 442389532 /nfs/dbraw/zinc/38/95/32/442389532.db2.gz DFONJNAUCFEYRU-ABAIWWIYSA-N 1 0 349.387 1.840 10 5 EDBERO CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000194153586 442852708 /nfs/dbraw/zinc/85/27/08/442852708.db2.gz YKGHSBSZQVZCER-GFCCVEGCSA-N 1 0 334.376 1.442 10 5 EDBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCO[C@H](C[NH+](C)C)C1 ZINC000155270993 534339754 /nfs/dbraw/zinc/33/97/54/534339754.db2.gz HPOAUHXBMMMYSF-CQSZACIVSA-N 1 0 336.392 1.104 10 5 EDBERO C[NH2+]Cc1ccc(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000124783798 596899557 /nfs/dbraw/zinc/89/95/57/596899557.db2.gz FUNJBKQFDFYWJP-UHFFFAOYSA-N 1 0 335.385 1.793 10 5 EDBERO C[C@]1(C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)CCCC[NH2+]1 ZINC000180991706 234054060 /nfs/dbraw/zinc/05/40/60/234054060.db2.gz LTNVIRYBPYXRRU-QGZVFWFLSA-N 1 0 332.404 1.776 10 5 EDBERO CN(C(=O)c1cc([N+](=O)[O-])ccc1Br)[C@@H]1CC[NH2+]C1 ZINC000071309918 202345068 /nfs/dbraw/zinc/34/50/68/202345068.db2.gz RDBHKSAVAYOMDS-SECBINFHSA-N 1 0 328.166 1.791 10 5 EDBERO CC(=O)N[C@H]1CCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000077169956 201181984 /nfs/dbraw/zinc/18/19/84/201181984.db2.gz UXGCUONYUMSMPV-AWEZNQCLSA-N 1 0 334.376 1.524 10 5 EDBERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248435415 139163745 /nfs/dbraw/zinc/16/37/45/139163745.db2.gz ADNTXTVNOXPVMR-BZUAXINKSA-N 1 0 349.431 1.893 10 5 EDBERO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261730727 139221370 /nfs/dbraw/zinc/22/13/70/139221370.db2.gz OIEBIRPFFZGRGW-AWEZNQCLSA-N 1 0 336.392 1.601 10 5 EDBERO CC[N@@H+]1CCC[C@@H](NC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)C1 ZINC000067138769 441609605 /nfs/dbraw/zinc/60/96/05/441609605.db2.gz OGJAJTFLGVHRFG-GFCCVEGCSA-N 1 0 344.375 1.390 10 5 EDBERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000150802217 441953455 /nfs/dbraw/zinc/95/34/55/441953455.db2.gz SQGNOMWHWCVNTB-RISCZKNCSA-N 1 0 334.376 1.378 10 5 EDBERO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000176887916 442266982 /nfs/dbraw/zinc/26/69/82/442266982.db2.gz VTAUYEOJXQFYMQ-ZDUSSCGKSA-N 1 0 335.404 1.760 10 5 EDBERO CCc1nn(C)c(N(C)CC2CC[NH+](C[C@@H](C)O)CC2)c1[N+](=O)[O-] ZINC000179877314 442514509 /nfs/dbraw/zinc/51/45/09/442514509.db2.gz SZZDSZISICSZBS-GFCCVEGCSA-N 1 0 339.440 1.420 10 5 EDBERO CC[N@@H+]1CCC[C@H](Nc2cc([N+](=O)[O-])ccc2S(N)(=O)=O)C1 ZINC000181439756 442697712 /nfs/dbraw/zinc/69/77/12/442697712.db2.gz NGIAJLNOIPXIIY-JTQLQIEISA-N 1 0 328.394 1.138 10 5 EDBERO CCCCOC[C@H](O)C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000195188969 442995289 /nfs/dbraw/zinc/99/52/89/442995289.db2.gz QJMWERJALHEDCW-DZGCQCFKSA-N 1 0 338.408 1.654 10 5 EDBERO CCOc1cc(C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c([N+](=O)[O-])cc1OC ZINC000185182578 443156232 /nfs/dbraw/zinc/15/62/32/443156232.db2.gz JLVVWBNRUCTECH-CYZMBNFOSA-N 1 0 349.387 1.811 10 5 EDBERO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@H]([NH3+])C1 ZINC000122394224 596383677 /nfs/dbraw/zinc/38/36/77/596383677.db2.gz UGOXCEAXHVGYBZ-VIFPVBQESA-N 1 0 333.797 1.668 10 5 EDBERO Cc1ccc(C)c(S(=O)(=O)N[C@@H]2CCC[C@H]2C[NH3+])c1[N+](=O)[O-] ZINC000193291274 695689013 /nfs/dbraw/zinc/68/90/13/695689013.db2.gz ORMVZFQTAVGMLQ-NWDGAFQWSA-N 1 0 327.406 1.617 10 5 EDBERO CN(C)C(=O)NCC[NH2+]Cc1cc(Br)ccc1[N+](=O)[O-] ZINC000160748771 202024995 /nfs/dbraw/zinc/02/49/95/202024995.db2.gz HUFCBXRWWWLECP-UHFFFAOYSA-N 1 0 345.197 1.718 10 5 EDBERO Cc1c(Cl)cc(S(=O)(=O)N[C@H]2CCC[NH2+][C@@H]2C)cc1[N+](=O)[O-] ZINC000189320203 138867680 /nfs/dbraw/zinc/86/76/80/138867680.db2.gz GJELRJNNTMFNSO-SKDRFNHKSA-N 1 0 347.824 1.975 10 5 EDBERO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCC[C@@H](Cn3cncn3)C2)c1 ZINC000246256774 139101296 /nfs/dbraw/zinc/10/12/96/139101296.db2.gz KESAYPNSCBUEME-CJNGLKHVSA-N 1 0 331.376 1.632 10 5 EDBERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000246704468 139118072 /nfs/dbraw/zinc/11/80/72/139118072.db2.gz NCNZZEMYOAEHOL-DOMZBBRYSA-N 1 0 339.417 1.593 10 5 EDBERO Cn1cc([C@H]2CC[N@H+](C[C@@H](O)COc3cccc([N+](=O)[O-])c3)C2)cn1 ZINC000246867017 139124972 /nfs/dbraw/zinc/12/49/72/139124972.db2.gz FFLSGFRVKJXOPJ-XJKSGUPXSA-N 1 0 346.387 1.558 10 5 EDBERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000249212533 139189312 /nfs/dbraw/zinc/18/93/12/139189312.db2.gz SPWCMEFUBZZOBW-FZMZJTMJSA-N 1 0 332.360 1.228 10 5 EDBERO C[C@@H](NC(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000262007140 139243382 /nfs/dbraw/zinc/24/33/82/139243382.db2.gz VFMSVWPXOYENOJ-LYRGGWFBSA-N 1 0 343.387 1.509 10 5 EDBERO C[C@H]1CCN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)[C@@H](C[NH3+])C1 ZINC000262449746 139279825 /nfs/dbraw/zinc/27/98/25/139279825.db2.gz HPFDNKAMGMJRBZ-SMDDNHRTSA-N 1 0 327.406 1.484 10 5 EDBERO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCCC[C@@H]1C[NH3+] ZINC000237190490 277840665 /nfs/dbraw/zinc/84/06/65/277840665.db2.gz ZNBPTRBUYDFMRS-LLVKDONJSA-N 1 0 329.378 1.105 10 5 EDBERO CN1CCO[C@@H](CNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000121749774 441772692 /nfs/dbraw/zinc/77/26/92/441772692.db2.gz SFJMAVCBKMHHSF-ZDUSSCGKSA-N 1 0 332.360 1.065 10 5 EDBERO C[NH+](C)[C@H](Cc1ccccc1)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000164487398 442197442 /nfs/dbraw/zinc/19/74/42/442197442.db2.gz MDTORIBPWCLWEP-OAHLLOKOSA-N 1 0 331.376 1.080 10 5 EDBERO Cc1cc(NC(=O)NC[C@@H](O)C[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000153838894 442306451 /nfs/dbraw/zinc/30/64/51/442306451.db2.gz ZNNFEMFISVFURN-CQSZACIVSA-N 1 0 336.392 1.872 10 5 EDBERO CC(C)C[C@H](C[NH+](C)C)NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000180880190 528502852 /nfs/dbraw/zinc/50/28/52/528502852.db2.gz RXRAOQLBLLFKBM-LLVKDONJSA-N 1 0 347.412 1.989 10 5 EDBERO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[N@@H+]2CCC[C@H]2C1 ZINC000246728987 139119055 /nfs/dbraw/zinc/11/90/55/139119055.db2.gz VSSMEEDXJVILHE-AWEZNQCLSA-N 1 0 348.403 1.712 10 5 EDBERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000173726508 287225441 /nfs/dbraw/zinc/22/54/41/287225441.db2.gz ITMSGBXWJKHGSX-CHWSQXEVSA-N 1 0 339.417 1.842 10 5 EDBERO CS(=O)(=O)c1cccc(N2CC[C@H]3[NH2+]CC[C@@H]3C2)c1[N+](=O)[O-] ZINC000262527165 295559293 /nfs/dbraw/zinc/55/92/93/295559293.db2.gz PAOOOGFLRCWLJA-GHMZBOCLSA-N 1 0 325.390 1.187 10 5 EDBERO CC[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C[C@H](C)O ZINC000247524432 442860007 /nfs/dbraw/zinc/86/00/07/442860007.db2.gz NRNFXZONCRMBQJ-JSGCOSHPSA-N 1 0 336.392 1.904 10 5 EDBERO COCC[C@@H]([NH3+])C(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000052792562 214145545 /nfs/dbraw/zinc/14/55/45/214145545.db2.gz ZGUGFYODNWNXPR-SECBINFHSA-N 1 0 332.154 1.660 10 5 EDBERO C[NH2+][C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000053202810 214169763 /nfs/dbraw/zinc/16/97/63/214169763.db2.gz UFQKNNUYIFMISL-SECBINFHSA-N 1 0 333.797 1.621 10 5 EDBERO CC(C)[N@H+](C)CCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000054132208 214217851 /nfs/dbraw/zinc/21/78/51/214217851.db2.gz VUDULQTWGXLAAZ-UHFFFAOYSA-N 1 0 335.813 1.867 10 5 EDBERO Cc1cc(N2CCC[C@@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3)C2=O)n(C)n1 ZINC000173850676 231050939 /nfs/dbraw/zinc/05/09/39/231050939.db2.gz HJLZEIJNTFVERU-OAHLLOKOSA-N 1 0 343.387 1.922 10 5 EDBERO CC[C@@H]([NH3+])CNS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1Cl ZINC000166045902 529568343 /nfs/dbraw/zinc/56/83/43/529568343.db2.gz NITJMQSLYQWUGL-ZCFIWIBFSA-N 1 0 342.204 1.917 10 5 EDBERO Cc1c(F)cc(S(=O)(=O)NCC[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000193265425 138965118 /nfs/dbraw/zinc/96/51/18/138965118.db2.gz ARWGTVDUAZUCDK-SNVBAGLBSA-N 1 0 331.369 1.320 10 5 EDBERO CC[C@@H]1CN(C(=O)Cc2ccccc2[N+](=O)[O-])CC[N@@H+]1C[C@H](C)O ZINC000246853021 139124156 /nfs/dbraw/zinc/12/41/56/139124156.db2.gz NCKAXSWFHXOVIS-DZGCQCFKSA-N 1 0 335.404 1.441 10 5 EDBERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000252443617 139204458 /nfs/dbraw/zinc/20/44/58/139204458.db2.gz DBLNRFAEAFREBN-JSGCOSHPSA-N 1 0 332.404 1.970 10 5 EDBERO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261909890 139236171 /nfs/dbraw/zinc/23/61/71/139236171.db2.gz QCUKXNZIUDFGHH-CYBMUJFWSA-N 1 0 343.405 1.351 10 5 EDBERO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171770923 227273851 /nfs/dbraw/zinc/27/38/51/227273851.db2.gz LKPPBNVGWGFPEF-GFCCVEGCSA-N 1 0 341.389 1.072 10 5 EDBERO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@H](C)C[C@@H]1C[NH3+] ZINC000262403209 280259334 /nfs/dbraw/zinc/25/93/34/280259334.db2.gz CMFOVPYJOMIQRR-CMPLNLGQSA-N 1 0 327.406 1.651 10 5 EDBERO C[C@@H]([NH2+][C@@H]1CCc2ncnn2C1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000105870589 441301533 /nfs/dbraw/zinc/30/15/33/441301533.db2.gz SLKCEJJRPHFMCO-GHMZBOCLSA-N 1 0 330.348 1.118 10 5 EDBERO CC[C@H](NC(=O)NC[C@](C)(O)C[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000090689150 441641773 /nfs/dbraw/zinc/64/17/73/441641773.db2.gz ADSZWKYWTLYJBM-HOCLYGCPSA-N 1 0 338.408 1.658 10 5 EDBERO CC(C)[N@H+]1C[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000173882516 441855480 /nfs/dbraw/zinc/85/54/80/441855480.db2.gz NLCYZTPUCOWNQU-FZMZJTMJSA-N 1 0 327.406 1.602 10 5 EDBERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000176885764 442266806 /nfs/dbraw/zinc/26/68/06/442266806.db2.gz KGANKZNQAKHUKD-CQSZACIVSA-N 1 0 348.403 1.784 10 5 EDBERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000246912512 442821757 /nfs/dbraw/zinc/82/17/57/442821757.db2.gz IJVJDEDWWBYBQK-VXGBXAGGSA-N 1 0 327.406 1.602 10 5 EDBERO Cc1ccc(C)c(S(=O)(=O)N2CC[N@@H+]3CCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000189960859 443037815 /nfs/dbraw/zinc/03/78/15/443037815.db2.gz FTPIREHPPSMRNB-CYBMUJFWSA-N 1 0 339.417 1.680 10 5 EDBERO CCn1cc([N+](=O)[O-])c(C(=O)N[C@H](C[NH+](C)C)c2ccccc2)n1 ZINC000191476206 443299884 /nfs/dbraw/zinc/29/98/84/443299884.db2.gz YWAJTKZYIUBUEI-CYBMUJFWSA-N 1 0 331.376 1.844 10 5 EDBERO COc1cc(-c2nc([C@@H]3C[NH2+]CCN3C)no2)cc([N+](=O)[O-])c1OC ZINC000263113717 536868848 /nfs/dbraw/zinc/86/88/48/536868848.db2.gz AMETUUFYCZOATF-NSHDSACASA-N 1 0 349.347 1.238 10 5 EDBERO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CC[C@]3(CCC[NH2+]3)C2)cc1 ZINC000757067130 579963288 /nfs/dbraw/zinc/96/32/88/579963288.db2.gz CQGJTIQAAUCSRL-SMDDNHRTSA-N 1 0 325.390 1.548 10 5 EDBERO [NH3+][C@H]1CCC[C@@H]1NC(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000063171911 214747695 /nfs/dbraw/zinc/74/76/95/214747695.db2.gz PMTIEKRKSPQINH-QWRGUYRKSA-N 1 0 328.166 1.967 10 5 EDBERO CC(C)[NH+]1CCC(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000022999806 212341986 /nfs/dbraw/zinc/34/19/86/212341986.db2.gz BUXSZIQNGRLJLI-UHFFFAOYSA-N 1 0 341.433 1.994 10 5 EDBERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000246974692 139129127 /nfs/dbraw/zinc/12/91/27/139129127.db2.gz DTKVCHJAAKZTGO-JQWIXIFHSA-N 1 0 343.380 1.591 10 5 EDBERO CC(C)[N@@H+]1C[C@H](C)[C@H](NS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000247170451 139138676 /nfs/dbraw/zinc/13/86/76/139138676.db2.gz REUXXYYRYBKIBL-SWLSCSKDSA-N 1 0 341.433 1.743 10 5 EDBERO COc1cc(OCC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000247457460 139149143 /nfs/dbraw/zinc/14/91/43/139149143.db2.gz QMILSVMEWLFTRY-STQMWFEESA-N 1 0 349.387 1.677 10 5 EDBERO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000171903480 533221269 /nfs/dbraw/zinc/22/12/69/533221269.db2.gz BNYZMPFUJRZAPR-AWEZNQCLSA-N 1 0 334.376 1.593 10 5 EDBERO COCC[C@H]([NH3+])C(=O)Nc1cc([N+](=O)[O-])ccc1Br ZINC000159462598 225221405 /nfs/dbraw/zinc/22/14/05/225221405.db2.gz GRVDZVQGFOVZGZ-VIFPVBQESA-N 1 0 332.154 1.660 10 5 EDBERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000185855380 288313348 /nfs/dbraw/zinc/31/33/48/288313348.db2.gz ZWJYWDREPAEUDV-GXTWGEPZSA-N 1 0 339.417 1.842 10 5 EDBERO [NH3+]C[C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000044556131 295266033 /nfs/dbraw/zinc/26/60/33/295266033.db2.gz RLKYCMVTGFLJTE-SNVBAGLBSA-N 1 0 333.797 1.750 10 5 EDBERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000113305196 441601468 /nfs/dbraw/zinc/60/14/68/441601468.db2.gz DTKVCHJAAKZTGO-CMPLNLGQSA-N 1 0 343.380 1.591 10 5 EDBERO CCOCC[N@@H+]1CCN(c2c([N+](=O)[O-])c(C)nn2C)C[C@@H]1CC ZINC000114709550 441677027 /nfs/dbraw/zinc/67/70/27/441677027.db2.gz HIDGGLMUXPRGDF-ZDUSSCGKSA-N 1 0 325.413 1.574 10 5 EDBERO CC[N@@H+]1CCC[C@H](NC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000188892742 442837222 /nfs/dbraw/zinc/83/72/22/442837222.db2.gz HWTURBGNJDNHHG-ZDUSSCGKSA-N 1 0 348.403 1.852 10 5 EDBERO Cc1c(Cl)cc(S(=O)(=O)N2CCC[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000156099383 533871826 /nfs/dbraw/zinc/87/18/26/533871826.db2.gz KYXXJSZUWSACRG-VIFPVBQESA-N 1 0 333.797 1.668 10 5 EDBERO CC(C)[N@H+]1C[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)[C@@H](C)C1 ZINC000173884937 529104540 /nfs/dbraw/zinc/10/45/40/529104540.db2.gz BJLNOFWSALRLPY-GWCFXTLKSA-N 1 0 345.396 1.741 10 5 EDBERO CC[C@H]1CN(Cn2ncc3cc([N+](=O)[O-])ccc32)CC[N@@H+]1CCOC ZINC000117324817 595629342 /nfs/dbraw/zinc/62/93/42/595629342.db2.gz MCWAGKHPCOOJGN-HNNXBMFYSA-N 1 0 347.419 1.945 10 5 EDBERO FC(F)(F)c1ccc(-n2nnnc2C[N+]23CCN(CC2)CC3)cc1 ZINC000055051080 717130603 /nfs/dbraw/zinc/13/06/03/717130603.db2.gz KVZLZFBHYFCEDQ-UHFFFAOYSA-N 1 0 339.345 1.327 10 5 EDBERO [NH3+]C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Br)C1 ZINC000050245642 214050225 /nfs/dbraw/zinc/05/02/25/214050225.db2.gz YENZLSLDKJRONO-QMMMGPOBSA-N 1 0 328.166 1.778 10 5 EDBERO Cn1cc(C(=O)N[C@@H]2CCC[C@@H]2C[NH3+])c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237887767 139062873 /nfs/dbraw/zinc/06/28/73/139062873.db2.gz VXEIOUJBYALZGR-IUODEOHRSA-N 1 0 343.387 1.853 10 5 EDBERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000247316123 139144799 /nfs/dbraw/zinc/14/47/99/139144799.db2.gz MFCHLEZOMKIPFK-SWLSCSKDSA-N 1 0 348.403 1.170 10 5 EDBERO C[C@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@H](C[NH3+])C1 ZINC000262413775 139277462 /nfs/dbraw/zinc/27/74/62/139277462.db2.gz DIJOASGVJABDHO-ONGXEEELSA-N 1 0 347.824 1.996 10 5 EDBERO COCC[N@@H+]1CCN(Cc2cc(OC)c(F)cc2[N+](=O)[O-])C[C@H]1C ZINC000184202049 532967954 /nfs/dbraw/zinc/96/79/54/532967954.db2.gz HACQAEJCLMHARY-GFCCVEGCSA-N 1 0 341.383 1.895 10 5 EDBERO CO[C@H]1C[NH2+]C[C@H]1Nc1ncc([N+](=O)[O-])c(C)c1Br ZINC000165808475 226136528 /nfs/dbraw/zinc/13/65/28/226136528.db2.gz AQUXCXMPHFEAAQ-APPZFPTMSA-N 1 0 331.170 1.459 10 5 EDBERO CC1(C)CN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000262460249 281258421 /nfs/dbraw/zinc/25/84/21/281258421.db2.gz ILWCOAXKGLATBE-LLVKDONJSA-N 1 0 331.369 1.482 10 5 EDBERO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2CCC[C@@H]2C[NH3+])cc1C ZINC000237667259 301427476 /nfs/dbraw/zinc/42/74/76/301427476.db2.gz VDOFZOMEVPKDOX-NEPJUHHUSA-N 1 0 327.406 1.617 10 5 EDBERO [NH3+][C@@H]1CCCC[C@H]1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000038050107 303453715 /nfs/dbraw/zinc/45/37/15/303453715.db2.gz ZWZWVQVGKXXZAN-GHMZBOCLSA-N 1 0 333.797 1.796 10 5 EDBERO COc1cc(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000160613268 441901729 /nfs/dbraw/zinc/90/17/29/441901729.db2.gz DHGSGUGOTBPXNE-CYBMUJFWSA-N 1 0 337.376 1.180 10 5 EDBERO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000120692990 442119086 /nfs/dbraw/zinc/11/90/86/442119086.db2.gz OCGMCBOZTXWIND-AWEZNQCLSA-N 1 0 331.376 1.519 10 5 EDBERO C[C@H]([NH3+])[C@@H]1CN(c2ncc(Br)cc2[N+](=O)[O-])CCO1 ZINC000132878685 442401895 /nfs/dbraw/zinc/40/18/95/442401895.db2.gz PZAUBRYMOBKPKY-XVKPBYJWSA-N 1 0 331.170 1.305 10 5 EDBERO C[C@H](CCn1cccn1)[NH2+][C@@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000157828102 442617282 /nfs/dbraw/zinc/61/72/82/442617282.db2.gz ISIVQDDWGFPAJR-UHOFOFEASA-N 1 0 334.376 1.254 10 5 EDBERO CC[C@@H]([NH2+]Cc1cc(=O)n(C)c(=O)n1C)c1cccc([N+](=O)[O-])c1 ZINC000181537490 529181150 /nfs/dbraw/zinc/18/11/50/529181150.db2.gz QCEVJCLYFPRPGG-CQSZACIVSA-N 1 0 332.360 1.233 10 5 EDBERO CC1(C)CN(C(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC[C@H]1[NH3+] ZINC000261796741 535335166 /nfs/dbraw/zinc/33/51/66/535335166.db2.gz GTWNLVGJNZVBHN-OAHLLOKOSA-N 1 0 349.387 1.494 10 5 EDBERO CCc1n[nH]c(C(=O)N[C@@H](C[NH+](C)C)c2ccccc2)c1[N+](=O)[O-] ZINC000195342418 536005047 /nfs/dbraw/zinc/00/50/47/536005047.db2.gz VABJUGMNQBGSNK-ZDUSSCGKSA-N 1 0 331.376 1.913 10 5 EDBERO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000183334843 235015444 /nfs/dbraw/zinc/01/54/44/235015444.db2.gz RVPCGSYIIPHNQA-LBPRGKRZSA-N 1 0 348.403 1.219 10 5 EDBERO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CCC[C@@H]1C[NH3+] ZINC000236984325 139037226 /nfs/dbraw/zinc/03/72/26/139037226.db2.gz BRAGYIWYGBNOBZ-YPMHNXCESA-N 1 0 327.406 1.563 10 5 EDBERO Cc1c(Cl)cc(S(=O)(=O)N[C@@](C)(C[NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000237613422 139055755 /nfs/dbraw/zinc/05/57/55/139055755.db2.gz RZJZRNNSZMXNRF-ZDUSSCGKSA-N 1 0 347.824 1.962 10 5 EDBERO Cc1cc(S(=O)(=O)N[C@@H]2C[N@H+](C(C)C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000246096360 139094883 /nfs/dbraw/zinc/09/48/83/139094883.db2.gz HBSCUIKIGSMCER-TZMCWYRMSA-N 1 0 341.433 1.910 10 5 EDBERO C[C@@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@H]1N1CCOCC1 ZINC000246452690 139108980 /nfs/dbraw/zinc/10/89/80/139108980.db2.gz MVIPHFJUDPTBTO-IUODEOHRSA-N 1 0 346.387 1.889 10 5 EDBERO Cc1ccc(S(=O)(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)cc1[N+](=O)[O-] ZINC000247495918 139150650 /nfs/dbraw/zinc/15/06/50/139150650.db2.gz UPQZNQCJVRFIRB-OLZOCXBDSA-N 1 0 339.417 1.760 10 5 EDBERO C[NH+](C)C[C@H]1CN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000117037888 221026630 /nfs/dbraw/zinc/02/66/30/221026630.db2.gz XURIGKDEOCQDOM-HNNXBMFYSA-N 1 0 336.392 1.109 10 5 EDBERO C[C@H](C[NH2+]C1CC1)Cn1cc([N+](=O)[O-])cc(Br)c1=O ZINC000165414151 226123738 /nfs/dbraw/zinc/12/37/38/226123738.db2.gz NDPPTNPQLPJSBV-MRVPVSSYSA-N 1 0 330.182 1.907 10 5 EDBERO CO[C@H]1C[NH2+]C[C@H]1NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000165817077 226136888 /nfs/dbraw/zinc/13/68/88/226136888.db2.gz UPYYFXVQOWMGLI-MNOVXSKESA-N 1 0 344.165 1.074 10 5 EDBERO C[NH+](C)[C@H](CNc1ccc([N+](=O)[O-])c(S(C)(=O)=O)c1)C1CC1 ZINC000091481731 441706108 /nfs/dbraw/zinc/70/61/08/441706108.db2.gz NMHBYSAQQZBTBS-CYBMUJFWSA-N 1 0 327.406 1.750 10 5 EDBERO CSc1ccc([N+](=O)[O-])c(C(=O)N2CCO[C@@H](C[NH+](C)C)C2)c1 ZINC000116794039 441848022 /nfs/dbraw/zinc/84/80/22/441848022.db2.gz MTCPFKUWBOQWLJ-NSHDSACASA-N 1 0 339.417 1.719 10 5 EDBERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000176898215 442269635 /nfs/dbraw/zinc/26/96/35/442269635.db2.gz NRUOSLFFQONUSC-CYBMUJFWSA-N 1 0 348.403 1.784 10 5 EDBERO Cc1ccc(NC(=O)C(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)cc1[N+](=O)[O-] ZINC000190082670 443054406 /nfs/dbraw/zinc/05/44/06/443054406.db2.gz QPASQACPEPSRJJ-GXTWGEPZSA-N 1 0 346.387 1.537 10 5 EDBERO COCC[N@@H+]1CCN(Cn2nc(C)c3ccc([N+](=O)[O-])cc32)C[C@H]1C ZINC000121198431 596301363 /nfs/dbraw/zinc/30/13/63/596301363.db2.gz QMXFCQFVEHSKFE-CYBMUJFWSA-N 1 0 347.419 1.863 10 5 EDBERO C[NH2+]CCNS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1Cl ZINC000166042795 529978683 /nfs/dbraw/zinc/97/86/83/529978683.db2.gz CNLUYTUBFBRQHE-UHFFFAOYSA-N 1 0 328.177 1.399 10 5 EDBERO C[NH2+]C[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000156611345 529990752 /nfs/dbraw/zinc/99/07/52/529990752.db2.gz HPFAAKJKSZIGSQ-VIFPVBQESA-N 1 0 333.797 1.621 10 5 EDBERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000246508806 139111399 /nfs/dbraw/zinc/11/13/99/139111399.db2.gz SQGNOMWHWCVNTB-SMDDNHRTSA-N 1 0 334.376 1.378 10 5 EDBERO CC(C)[N@@H+]1C[C@H](C)[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000248720649 139173042 /nfs/dbraw/zinc/17/30/42/139173042.db2.gz HUPPXNJGOTXEJZ-SMDDNHRTSA-N 1 0 327.406 1.602 10 5 EDBERO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)C(F)(F)c3ccc([N+](=O)[O-])cc3)C[C@H]12 ZINC000262378870 139274562 /nfs/dbraw/zinc/27/45/62/139274562.db2.gz NWHBVNCQRYOXQP-JIMOISOXSA-N 1 0 325.315 1.882 10 5 EDBERO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171770758 533143758 /nfs/dbraw/zinc/14/37/58/533143758.db2.gz GOIKMQCCURMEPG-GFCCVEGCSA-N 1 0 341.389 1.072 10 5 EDBERO Cc1cc(N2CCO[C@H](C[NH3+])C2)c(Br)cc1[N+](=O)[O-] ZINC000235846826 280564637 /nfs/dbraw/zinc/56/46/37/280564637.db2.gz KSSJFLHLXOFBDW-SECBINFHSA-N 1 0 330.182 1.830 10 5 EDBERO CCn1cnnc1C1CC[NH+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000090529096 441632719 /nfs/dbraw/zinc/63/27/19/441632719.db2.gz ZGKMOUPLZBYWDU-UHFFFAOYSA-N 1 0 346.391 1.248 10 5 EDBERO C[C@@H]([NH3+])[C@H]1CN(c2ncc([N+](=O)[O-])cc2Br)CCO1 ZINC000132982389 442404197 /nfs/dbraw/zinc/40/41/97/442404197.db2.gz FMDFZZMZTQUGRZ-GMSGAONNSA-N 1 0 331.170 1.305 10 5 EDBERO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000179580447 442477931 /nfs/dbraw/zinc/47/79/31/442477931.db2.gz XQQUPGBTGKJVMP-CQSZACIVSA-N 1 0 335.404 1.923 10 5 EDBERO O=C([C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000183039179 442869324 /nfs/dbraw/zinc/86/93/24/442869324.db2.gz LKWJQRYPTQJMTP-MLGOLLRUSA-N 1 0 344.371 1.394 10 5 EDBERO O=c1[nH]cnc2cc(NC[C@H](O)C[NH+]3CCCCC3)c([N+](=O)[O-])cc12 ZINC000174683802 231279633 /nfs/dbraw/zinc/27/96/33/231279633.db2.gz JRGGWJOPEGXKNL-NSHDSACASA-N 1 0 347.375 1.090 10 5 EDBERO COc1cc(OCC(=O)N2CC[N@@H+]3CCC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000195338805 139014930 /nfs/dbraw/zinc/01/49/30/139014930.db2.gz SJWSIJWJEZPKEE-LBPRGKRZSA-N 1 0 335.360 1.289 10 5 EDBERO O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000195319502 139013969 /nfs/dbraw/zinc/01/39/69/139013969.db2.gz MDPGGAOQVPKPRH-OAHLLOKOSA-N 1 0 346.387 1.021 10 5 EDBERO Cn1cc([C@@H]2CC[N@H+](C[C@@H](O)COc3cccc([N+](=O)[O-])c3)C2)cn1 ZINC000246867005 139124968 /nfs/dbraw/zinc/12/49/68/139124968.db2.gz FFLSGFRVKJXOPJ-CZUORRHYSA-N 1 0 346.387 1.558 10 5 EDBERO CC[C@H]1CN(CCOc2ccccc2[N+](=O)[O-])CC[N@@H+]1C[C@H](C)O ZINC000247083506 139135003 /nfs/dbraw/zinc/13/50/03/139135003.db2.gz HDJFOYQMMHRLHZ-GJZGRUSLSA-N 1 0 337.420 1.751 10 5 EDBERO C[C@H](O)C[N@@H+]1CCN(CCCOc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000247436775 139148464 /nfs/dbraw/zinc/14/84/64/139148464.db2.gz ZGKSOGOJVNPNGL-CABCVRRESA-N 1 0 337.420 1.751 10 5 EDBERO Cc1ccc(S(=O)(=O)N2CC[N@@H+]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000247599996 139153080 /nfs/dbraw/zinc/15/30/80/139153080.db2.gz UHCUWEKWUNBREW-LBPRGKRZSA-N 1 0 325.390 1.372 10 5 EDBERO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@H](n2cncn2)C1 ZINC000248374198 139161166 /nfs/dbraw/zinc/16/11/66/139161166.db2.gz OODXTQJXEXTECV-ZIAGYGMSSA-N 1 0 347.375 1.263 10 5 EDBERO CSc1ccc([N+](=O)[O-])c(-c2nc([C@@H]3C[NH2+]CCN3C)no2)c1 ZINC000263282380 139333057 /nfs/dbraw/zinc/33/30/57/139333057.db2.gz UMMKSAZWJGKSTI-LBPRGKRZSA-N 1 0 335.389 1.943 10 5 EDBERO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000178630407 533224293 /nfs/dbraw/zinc/22/42/93/533224293.db2.gz VSSMEEDXJVILHE-CQSZACIVSA-N 1 0 348.403 1.712 10 5 EDBERO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCO[C@H](C[NH+](C)C)C1 ZINC000155292578 533327286 /nfs/dbraw/zinc/32/72/86/533327286.db2.gz MKXDJPZFAVJBJH-SWLSCSKDSA-N 1 0 336.392 1.184 10 5 EDBERO CC[N@@H+]1CCC[C@@H](NC(=O)NCCNc2ccccc2[N+](=O)[O-])C1 ZINC000052502281 287222418 /nfs/dbraw/zinc/22/24/18/287222418.db2.gz JFPLFXGGKILADU-CYBMUJFWSA-N 1 0 335.408 1.790 10 5 EDBERO Cc1c(Br)c(OC[C@@H]2C[NH2+]CCO2)ncc1[N+](=O)[O-] ZINC000164065993 226041392 /nfs/dbraw/zinc/04/13/92/226041392.db2.gz ZPNDYEHRLQVUPP-QMMMGPOBSA-N 1 0 332.154 1.428 10 5 EDBERO O=C(c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000171867233 227325403 /nfs/dbraw/zinc/32/54/03/227325403.db2.gz DULVSSXQCBZXIS-LBPRGKRZSA-N 1 0 342.355 1.357 10 5 EDBERO Cc1c(Br)c(N2CCO[C@H](C[NH3+])C2)ncc1[N+](=O)[O-] ZINC000165779350 274658015 /nfs/dbraw/zinc/65/80/15/274658015.db2.gz RQUAMQFWWVGJLT-MRVPVSSYSA-N 1 0 331.170 1.225 10 5 EDBERO Cc1c(NC(=O)NC[C@H](O)C[NH+]2CCCCC2)cccc1[N+](=O)[O-] ZINC000043346181 441836502 /nfs/dbraw/zinc/83/65/02/441836502.db2.gz MWPBZJYEASHVRJ-ZDUSSCGKSA-N 1 0 336.392 1.872 10 5 EDBERO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000177442666 442341930 /nfs/dbraw/zinc/34/19/30/442341930.db2.gz QWSVZEHHWNILPQ-AWEZNQCLSA-N 1 0 349.431 1.689 10 5 EDBERO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc1C ZINC000171770726 442380180 /nfs/dbraw/zinc/38/01/80/442380180.db2.gz NNWVTFUABFNKLQ-CYBMUJFWSA-N 1 0 339.417 1.680 10 5 EDBERO C[NH+](C)C[C@H]1CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CCO1 ZINC000135174070 442565456 /nfs/dbraw/zinc/56/54/56/442565456.db2.gz KAOLWUMZUVRVKG-ZDUSSCGKSA-N 1 0 327.768 1.651 10 5 EDBERO Cc1nccn1C[C@@H]1CCC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000132455348 534779919 /nfs/dbraw/zinc/77/99/19/534779919.db2.gz NQRLEDBYHWLQRB-AWEZNQCLSA-N 1 0 331.376 1.426 10 5 EDBERO COc1cc(OCc2nc([C@H]3C[NH2+]CCN3C)no2)ccc1[N+](=O)[O-] ZINC000263208274 536876308 /nfs/dbraw/zinc/87/63/08/536876308.db2.gz JYPYRNRKMHGDCK-GFCCVEGCSA-N 1 0 349.347 1.142 10 5 EDBERO CCn1cc(C2CC[NH+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)cn1 ZINC000174765310 231302806 /nfs/dbraw/zinc/30/28/06/231302806.db2.gz XLYJSCSJGLDTIX-MRXNPFEDSA-N 1 0 348.407 1.248 10 5 EDBERO C[NH+](C)[C@@H]1CCN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000170860392 282196868 /nfs/dbraw/zinc/19/68/68/282196868.db2.gz FDZKFJPCHPBIHQ-OAHLLOKOSA-N 1 0 346.431 1.974 10 5 EDBERO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CCC[C@H]1C[NH3+] ZINC000237205997 139044376 /nfs/dbraw/zinc/04/43/76/139044376.db2.gz PSBQFLSXNURKCU-GXSJLCMTSA-N 1 0 329.378 1.009 10 5 EDBERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000245427780 139074180 /nfs/dbraw/zinc/07/41/80/139074180.db2.gz MFFZBCXSDUPVKQ-GJZGRUSLSA-N 1 0 332.404 1.752 10 5 EDBERO O=C(CN1CC[N@@H+]2CCCC[C@H]2C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000248358046 139160582 /nfs/dbraw/zinc/16/05/82/139160582.db2.gz QGUCOIWEKKAATQ-INIZCTEOSA-N 1 0 344.415 1.654 10 5 EDBERO Cc1ccc(NC(=O)[C@H]2C[NH2+]C[C@@H]2c2cnn(C)c2)cc1[N+](=O)[O-] ZINC000261895542 139234770 /nfs/dbraw/zinc/23/47/70/139234770.db2.gz HAICSCLBRSTSCG-KGLIPLIRSA-N 1 0 329.360 1.578 10 5 EDBERO O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000165953449 226142863 /nfs/dbraw/zinc/14/28/63/226142863.db2.gz DEMALQRAZSBKKF-NXEZZACHSA-N 1 0 340.177 1.649 10 5 EDBERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000113305935 441602149 /nfs/dbraw/zinc/60/21/49/441602149.db2.gz YKRQRNGYNXAAKK-SWLSCSKDSA-N 1 0 339.417 1.593 10 5 EDBERO CCOc1ccc(C(=O)N2CCO[C@H](C[NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000116792479 441848416 /nfs/dbraw/zinc/84/84/16/441848416.db2.gz CUQSFXKEZNTMAF-CYBMUJFWSA-N 1 0 337.376 1.396 10 5 EDBERO O=[N+]([O-])c1ccc(CN2CC[C@H](N3CCOCC3)C2)c([N+](=O)[O-])c1 ZINC000193766758 442782770 /nfs/dbraw/zinc/78/27/70/442782770.db2.gz XEJCVYCTNRAGCV-AWEZNQCLSA-N 1 0 336.348 1.410 10 5 EDBERO CC[N@@H+]1CCC[C@@H](NC(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000194624460 442926894 /nfs/dbraw/zinc/92/68/94/442926894.db2.gz NXWXURQLZBVLQO-LLVKDONJSA-N 1 0 337.376 1.826 10 5 EDBERO CC1(C)CN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000262159515 535347138 /nfs/dbraw/zinc/34/71/38/535347138.db2.gz XWUMEEICFYIOES-HNNXBMFYSA-N 1 0 343.387 1.980 10 5 EDBERO CC[C@H]1CN(CCOc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C[C@H](C)O ZINC000247392460 536150866 /nfs/dbraw/zinc/15/08/66/536150866.db2.gz XGQRPRLJLGHTMW-GJZGRUSLSA-N 1 0 337.420 1.751 10 5 EDBERO Cc1c(Cl)cc(S(=O)(=O)N[C@@H]2CCC[C@H]2[NH3+])cc1[N+](=O)[O-] ZINC000063174736 214748027 /nfs/dbraw/zinc/74/80/27/214748027.db2.gz LHWHCHJSJBEUJR-GHMZBOCLSA-N 1 0 333.797 1.715 10 5 EDBERO CO[C@H]1C[NH2+]C[C@@H]1NC(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000045623185 213744171 /nfs/dbraw/zinc/74/41/71/213744171.db2.gz CFIRMXAMOLVROH-QWRGUYRKSA-N 1 0 344.165 1.074 10 5 EDBERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000247465998 139149569 /nfs/dbraw/zinc/14/95/69/139149569.db2.gz RGKYMESPRRWLQM-JSGCOSHPSA-N 1 0 347.371 1.481 10 5 EDBERO CC(C)[N@@H+]1C[C@H](C)[C@H](NS(=O)(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000248426432 139163247 /nfs/dbraw/zinc/16/32/47/139163247.db2.gz LAXLKMCBYNIYAX-GXTWGEPZSA-N 1 0 341.433 1.743 10 5 EDBERO CN1CC[NH2+]C[C@@H]1c1noc(COc2ccc([N+](=O)[O-])c(F)c2)n1 ZINC000263297363 139333987 /nfs/dbraw/zinc/33/39/87/139333987.db2.gz WNCJKYKZGJNRPO-GFCCVEGCSA-N 1 0 337.311 1.272 10 5 EDBERO CC[C@@H]1CN(C(=O)Cc2ccccc2[N+](=O)[O-])CC[N@@H+]1CCOC ZINC000117307471 221050153 /nfs/dbraw/zinc/05/01/53/221050153.db2.gz CHSCRXHEKCMHKY-OAHLLOKOSA-N 1 0 335.404 1.707 10 5 EDBERO C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000177442678 533662094 /nfs/dbraw/zinc/66/20/94/533662094.db2.gz QWSVZEHHWNILPQ-CQSZACIVSA-N 1 0 349.431 1.689 10 5 EDBERO CC[C@@H]1CN(C(=O)Cc2ccccc2[N+](=O)[O-])CC[N@@H+]1C[C@@H](C)O ZINC000174597084 287136754 /nfs/dbraw/zinc/13/67/54/287136754.db2.gz NCKAXSWFHXOVIS-UKRRQHHQSA-N 1 0 335.404 1.441 10 5 EDBERO CCC[C@@H](C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)[NH+](C)C ZINC000161215138 276020838 /nfs/dbraw/zinc/02/08/38/276020838.db2.gz DEZGFPODMQJOQR-INIZCTEOSA-N 1 0 334.420 1.974 10 5 EDBERO CC1(C)CN(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000261819480 278339714 /nfs/dbraw/zinc/33/97/14/278339714.db2.gz XSGMJTXQTSIEOI-LBPRGKRZSA-N 1 0 347.824 1.996 10 5 EDBERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000247474069 288314517 /nfs/dbraw/zinc/31/45/17/288314517.db2.gz RYUKHZRNBRSELH-MNOVXSKESA-N 1 0 343.380 1.591 10 5 EDBERO [NH3+]C[C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000044556134 295246216 /nfs/dbraw/zinc/24/62/16/295246216.db2.gz RLKYCMVTGFLJTE-JTQLQIEISA-N 1 0 333.797 1.750 10 5 EDBERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000161324086 441986364 /nfs/dbraw/zinc/98/63/64/441986364.db2.gz HESAZOADEOGWPT-YGRLFVJLSA-N 1 0 336.348 1.962 10 5 EDBERO C[NH+](C)[C@H]1CCN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000170866294 442280491 /nfs/dbraw/zinc/28/04/91/442280491.db2.gz IKUHHVQQXTYCBY-HNNXBMFYSA-N 1 0 329.360 1.557 10 5 EDBERO COCCN1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@H]1C ZINC000177054557 442291009 /nfs/dbraw/zinc/29/10/09/442291009.db2.gz SMEOCGPGNAHACD-GFCCVEGCSA-N 1 0 334.376 1.889 10 5 EDBERO CC[C@H](O)C[NH+]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000177083708 442295177 /nfs/dbraw/zinc/29/51/77/442295177.db2.gz LKWXKWFIOOTTKA-ZDUSSCGKSA-N 1 0 334.376 1.625 10 5 EDBERO Cc1c(Br)c(N2CCC(O)(C[NH3+])CC2)ncc1[N+](=O)[O-] ZINC000397481117 319134687 /nfs/dbraw/zinc/13/46/87/319134687.db2.gz FBKULWRVADVKMD-UHFFFAOYSA-N 1 0 345.197 1.351 10 5 EDBERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000185859228 443270014 /nfs/dbraw/zinc/27/00/14/443270014.db2.gz HUPPXNJGOTXEJZ-RISCZKNCSA-N 1 0 327.406 1.602 10 5 EDBERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000245427779 139074128 /nfs/dbraw/zinc/07/41/28/139074128.db2.gz MFFZBCXSDUPVKQ-CABCVRRESA-N 1 0 332.404 1.752 10 5 EDBERO CC[C@H]1CN(C(=O)Nc2ccncc2[N+](=O)[O-])CC[N@@H+]1C[C@H](C)O ZINC000248396452 139161763 /nfs/dbraw/zinc/16/17/63/139161763.db2.gz GZUSSPOKBKDAFB-RYUDHWBXSA-N 1 0 337.380 1.299 10 5 EDBERO O=C(c1cn(-c2cccc([N+](=O)[O-])c2)nn1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000171744900 227262339 /nfs/dbraw/zinc/26/23/39/227262339.db2.gz RGQCYRLMXSOCSE-AWEZNQCLSA-N 1 0 342.359 1.096 10 5 EDBERO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000193459096 278744750 /nfs/dbraw/zinc/74/47/50/278744750.db2.gz VLCDKEROAVZXEQ-DGCLKSJQSA-N 1 0 327.406 1.630 10 5 EDBERO C[C@H]1[NH2+]CCC[C@H]1NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000193455576 280049172 /nfs/dbraw/zinc/04/91/72/280049172.db2.gz CDRSIHNAEBBKML-PSASIEDQSA-N 1 0 333.797 1.667 10 5 EDBERO C[C@](C[NH3+])(NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000133757570 280140144 /nfs/dbraw/zinc/14/01/44/280140144.db2.gz QPKWYBSOKXSCGD-GFCCVEGCSA-N 1 0 333.797 1.654 10 5 EDBERO C[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@H]1CCCN(c2cccnn2)C1 ZINC000176232039 442197043 /nfs/dbraw/zinc/19/70/43/442197043.db2.gz DUJIBVJLDLDIOT-ZDUSSCGKSA-N 1 0 331.380 1.182 10 5 EDBERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000176898232 442269463 /nfs/dbraw/zinc/26/94/63/442269463.db2.gz NRUOSLFFQONUSC-ZDUSSCGKSA-N 1 0 348.403 1.784 10 5 EDBERO Cc1cc(C)c(S(=O)(=O)N2CC[C@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000191924533 442541536 /nfs/dbraw/zinc/54/15/36/442541536.db2.gz GMNDIHPWDAPNID-LBPRGKRZSA-N 1 0 327.406 1.536 10 5 EDBERO CCOCCN1CCN(C(=O)Nc2ccncc2[N+](=O)[O-])C[C@@H]1C ZINC000183554058 442940290 /nfs/dbraw/zinc/94/02/90/442940290.db2.gz LMORSXAWMZGEGD-LBPRGKRZSA-N 1 0 337.380 1.564 10 5 EDBERO [NH3+]C/C=C/CNS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1Cl ZINC000166049958 534530218 /nfs/dbraw/zinc/53/02/18/534530218.db2.gz NIKWABQTQFGCFS-OWOJBTEDSA-N 1 0 340.188 1.695 10 5 EDBERO COC(=O)c1cc(C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc([N+](=O)[O-])c1 ZINC000248638495 536874274 /nfs/dbraw/zinc/87/42/74/536874274.db2.gz QVOQIRDYFRRWKI-QCZZGDTMSA-N 1 0 333.344 1.191 10 5 EDBERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CCn1cc([N+](=O)[O-])nc1C ZINC000175012783 529405090 /nfs/dbraw/zinc/40/50/90/529405090.db2.gz APVBWKIUZASKDJ-ZIAGYGMSSA-N 1 0 335.408 1.575 10 5 EDBERO C[NH+](C)[C@H]1CCN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000170860395 282260934 /nfs/dbraw/zinc/26/09/34/282260934.db2.gz FDZKFJPCHPBIHQ-HNNXBMFYSA-N 1 0 346.431 1.974 10 5 EDBERO COc1cc(OCC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000195050934 139005661 /nfs/dbraw/zinc/00/56/61/139005661.db2.gz YSVOLZSJUQEONE-ZDUSSCGKSA-N 1 0 349.387 1.679 10 5 EDBERO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000247062411 139133903 /nfs/dbraw/zinc/13/39/03/139133903.db2.gz HIGBCIZZFHLJRB-JSGCOSHPSA-N 1 0 348.403 1.710 10 5 EDBERO O=[N+]([O-])c1ccc(CCS(=O)(=O)N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000248047652 139157776 /nfs/dbraw/zinc/15/77/76/139157776.db2.gz NFIZKRXJRYYMHN-HNNXBMFYSA-N 1 0 339.417 1.247 10 5 EDBERO COc1cc(S(=O)(=O)N2CC[C@H]([NH3+])C(C)(C)C2)ccc1[N+](=O)[O-] ZINC000261649391 139214340 /nfs/dbraw/zinc/21/43/40/139214340.db2.gz FAYQZGLOBIWVPG-ZDUSSCGKSA-N 1 0 343.405 1.351 10 5 EDBERO Cc1cc(S(=O)(=O)N2CC[C@H]([NH3+])C(C)(C)C2)ccc1[N+](=O)[O-] ZINC000261802580 139227353 /nfs/dbraw/zinc/22/73/53/139227353.db2.gz VZONIFIAVLZTQW-ZDUSSCGKSA-N 1 0 327.406 1.651 10 5 EDBERO CN1CC[NH2+]C[C@@H]1c1noc(CCNc2ccccc2[N+](=O)[O-])n1 ZINC000263152001 139325313 /nfs/dbraw/zinc/32/53/13/139325313.db2.gz DDXNGISWCUTBMH-CYBMUJFWSA-N 1 0 332.364 1.209 10 5 EDBERO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000183334864 533299366 /nfs/dbraw/zinc/29/93/66/533299366.db2.gz RVPCGSYIIPHNQA-GFCCVEGCSA-N 1 0 348.403 1.219 10 5 EDBERO Cc1ccc(S(=O)(=O)N2CC[C@H](C)C[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000262541293 292178079 /nfs/dbraw/zinc/17/80/79/292178079.db2.gz RDCQRGYDCIXWCB-CMPLNLGQSA-N 1 0 327.406 1.651 10 5 EDBERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000113305591 297096733 /nfs/dbraw/zinc/09/67/33/297096733.db2.gz NTCJZRITWQNPRC-VXGBXAGGSA-N 1 0 325.390 1.452 10 5 EDBERO C[C@@H]([NH2+][C@@H]1CCc2ncnn2C1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000105870568 441300415 /nfs/dbraw/zinc/30/04/15/441300415.db2.gz HFBKNKOYZPQEGQ-ZYHUDNBSSA-N 1 0 330.348 1.118 10 5 EDBERO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H](O)CN1CCCC1=O ZINC000111685012 441539831 /nfs/dbraw/zinc/53/98/31/441539831.db2.gz HVVJDLPRYFNIOW-MRXNPFEDSA-N 1 0 335.404 1.789 10 5 EDBERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000176889223 442267368 /nfs/dbraw/zinc/26/73/68/442267368.db2.gz RINLIUWBHDVOFB-CQSZACIVSA-N 1 0 334.376 1.476 10 5 EDBERO C[C@@H](O)C[N@@H+]1CCN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@H]1C ZINC000193899084 442808800 /nfs/dbraw/zinc/80/88/00/442808800.db2.gz HJAXKYXTNHPBOM-VXGBXAGGSA-N 1 0 338.364 1.390 10 5 EDBERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000246917687 442821165 /nfs/dbraw/zinc/82/11/65/442821165.db2.gz ITMSGBXWJKHGSX-OLZOCXBDSA-N 1 0 339.417 1.842 10 5 EDBERO CCOc1cc(C[C@H]2[C@H](O)C3CC[NH+]2CC3)cc([N+](=O)[O-])c1OC ZINC000169961385 528288011 /nfs/dbraw/zinc/28/80/11/528288011.db2.gz SIKKQXIXVFFPNQ-XJKSGUPXSA-N 1 0 336.388 2.000 10 5 EDBERO CC[C@@H]([NH2+]CCc1cn(CC(=O)OC)nn1)c1cccc([N+](=O)[O-])c1 ZINC000181564948 529170103 /nfs/dbraw/zinc/17/01/03/529170103.db2.gz JIJJKQLQIXDWAX-OAHLLOKOSA-N 1 0 347.375 1.643 10 5 EDBERO Cn1cc(C(=O)N[C@@H]2CCC[C@H]2C[NH3+])c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237887877 139062836 /nfs/dbraw/zinc/06/28/36/139062836.db2.gz VXEIOUJBYALZGR-SWLSCSKDSA-N 1 0 343.387 1.853 10 5 EDBERO COC(=O)c1cc(C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@H]2C)cc([N+](=O)[O-])c1 ZINC000246807563 139122402 /nfs/dbraw/zinc/12/24/02/139122402.db2.gz DFONJNAUCFEYRU-IAQYHMDHSA-N 1 0 349.387 1.840 10 5 EDBERO CCOc1cc(C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c([N+](=O)[O-])cc1OC ZINC000248603691 139168572 /nfs/dbraw/zinc/16/85/72/139168572.db2.gz JLVVWBNRUCTECH-DRZSPHRISA-N 1 0 349.387 1.811 10 5 EDBERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000249212534 139189321 /nfs/dbraw/zinc/18/93/21/139189321.db2.gz SPWCMEFUBZZOBW-RISCZKNCSA-N 1 0 332.360 1.228 10 5 EDBERO O=[N+]([O-])c1ccc2nc(S(=O)(=O)CC3CC[NH2+]CC3)cnc2c1 ZINC000095092273 218279975 /nfs/dbraw/zinc/27/99/75/218279975.db2.gz GNKVMAUUFFRELR-UHFFFAOYSA-N 1 0 336.373 1.311 10 5 EDBERO Cc1cc(S(=O)(=O)N2CC[C@@H]([NH3+])C(C)(C)C2)ccc1[N+](=O)[O-] ZINC000261802577 139227279 /nfs/dbraw/zinc/22/72/79/139227279.db2.gz VZONIFIAVLZTQW-CYBMUJFWSA-N 1 0 327.406 1.651 10 5 EDBERO COc1ccc(S(=O)(=O)N2CC[N@@H+]3CCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000247647608 286348901 /nfs/dbraw/zinc/34/89/01/286348901.db2.gz VRFXYWGJUAXNJS-NSHDSACASA-N 1 0 341.389 1.072 10 5 EDBERO C[C@@H]1CN(c2ccc(I)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000097333907 274363718 /nfs/dbraw/zinc/36/37/18/274363718.db2.gz NQAYYRBGWVUJES-MRVPVSSYSA-N 1 0 347.156 1.998 10 5 EDBERO CC[N@@H+]1CCC[C@H]1CN(C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000177694198 276182477 /nfs/dbraw/zinc/18/24/77/276182477.db2.gz SRRXKWFESNRVGA-INIZCTEOSA-N 1 0 346.431 1.900 10 5 EDBERO C[C@H]1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])[C@@H](C[NH3+])C1 ZINC000262480957 278369989 /nfs/dbraw/zinc/36/99/89/278369989.db2.gz JYPLFOQHLIMZFY-WDEREUQCSA-N 1 0 327.406 1.562 10 5 EDBERO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCCC[C@H]2C[NH3+])c1C ZINC000237778863 281015693 /nfs/dbraw/zinc/01/56/93/281015693.db2.gz TZOSDAABOUZPBY-LBPRGKRZSA-N 1 0 327.406 1.714 10 5 EDBERO Cn1nccc1C1CC[NH+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000090524057 441632298 /nfs/dbraw/zinc/63/22/98/441632298.db2.gz RTBWQQYXINDWGP-UHFFFAOYSA-N 1 0 331.376 1.370 10 5 EDBERO CC[NH+](CC)[C@@H]1CCN(c2ccc([N+](=O)[O-])c(S(C)(=O)=O)c2)C1 ZINC000125650513 442039878 /nfs/dbraw/zinc/03/98/78/442039878.db2.gz WUNTWXYWHXZXKA-CYBMUJFWSA-N 1 0 341.433 1.919 10 5 EDBERO C[NH+](C)[C@@H]1CCN(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000170873500 442281024 /nfs/dbraw/zinc/28/10/24/442281024.db2.gz HUECCOXUAMXITH-SNVBAGLBSA-N 1 0 333.797 1.573 10 5 EDBERO C[C@@H]([NH3+])[C@@H]1CN(c2ncc([N+](=O)[O-])cc2Br)CCO1 ZINC000132981983 442404335 /nfs/dbraw/zinc/40/43/35/442404335.db2.gz FMDFZZMZTQUGRZ-XCBNKYQSSA-N 1 0 331.170 1.305 10 5 EDBERO O=[N+]([O-])c1cc(S(=O)(=O)NC[C@@H]2CCC[NH2+]C2)ccc1Cl ZINC000044502166 213628580 /nfs/dbraw/zinc/62/85/80/213628580.db2.gz FIMACGWXPFPXEW-SECBINFHSA-N 1 0 333.797 1.526 10 5 EDBERO CC1(C)CN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC[C@H]1[NH3+] ZINC000261787776 139225934 /nfs/dbraw/zinc/22/59/34/139225934.db2.gz URYFSMAYVRGEAY-HUUCEWRRSA-N 1 0 332.404 1.759 10 5 EDBERO C[NH+](C)C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)CCO1 ZINC000116977836 221018025 /nfs/dbraw/zinc/01/80/25/221018025.db2.gz LPLBJGRLFJEOMA-NSHDSACASA-N 1 0 327.768 1.651 10 5 EDBERO COc1ccc(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000160030664 533327818 /nfs/dbraw/zinc/32/78/18/533327818.db2.gz VVWMRSHQUGREDD-CYBMUJFWSA-N 1 0 337.376 1.180 10 5 EDBERO CC[N@@H+]1CCC[C@H](NC(=O)c2cc(C(=O)OC)cc([N+](=O)[O-])c2)C1 ZINC000194631955 273004405 /nfs/dbraw/zinc/00/44/05/273004405.db2.gz PPBSSYWKRNZYHE-ZDUSSCGKSA-N 1 0 335.360 1.596 10 5 EDBERO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000262569085 302045508 /nfs/dbraw/zinc/04/55/08/302045508.db2.gz XDTFJFQDFZZZOW-LBPRGKRZSA-N 1 0 327.406 1.651 10 5 EDBERO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000113305655 302046271 /nfs/dbraw/zinc/04/62/71/302046271.db2.gz NPKSJDBPLDSAIY-STQMWFEESA-N 1 0 339.417 1.760 10 5 EDBERO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH2+]CCn1cc(C)cn1 ZINC000105881287 441305657 /nfs/dbraw/zinc/30/56/57/441305657.db2.gz RBFJCDWMCRSTTE-GFCCVEGCSA-N 1 0 347.375 1.725 10 5 EDBERO CC(C)[N@H+]1C[C@H](NS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])[C@@H](C)C1 ZINC000174002513 441877216 /nfs/dbraw/zinc/87/72/16/441877216.db2.gz VDRCYOUPISGHDZ-JQWIXIFHSA-N 1 0 345.396 1.741 10 5 EDBERO C[NH+](C)[C@@H]1CCN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000134602657 442500248 /nfs/dbraw/zinc/50/02/48/442500248.db2.gz DAPROMQJSQPJMX-GFCCVEGCSA-N 1 0 329.360 1.557 10 5 EDBERO CCC[C@@H](C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)[NH+](C)C ZINC000136240815 442656514 /nfs/dbraw/zinc/65/65/14/442656514.db2.gz NEIHMTJTPAMBCP-INIZCTEOSA-N 1 0 334.420 1.974 10 5 EDBERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000247223988 442841840 /nfs/dbraw/zinc/84/18/40/442841840.db2.gz WJUIXQGYGPGHFV-OCCSQVGLSA-N 1 0 339.417 1.842 10 5 EDBERO CCO[C@@H]1C[C@@H]([NH3+])[C@@H]1Nc1ncc([N+](=O)[O-])c(C)c1Br ZINC000165831366 527805860 /nfs/dbraw/zinc/80/58/60/527805860.db2.gz RKETWLDIHVNHDJ-ZOFUNIGCSA-N 1 0 345.197 1.977 10 5 EDBERO CC(C)(C[NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1)NS(C)(=O)=O ZINC000068990171 215351520 /nfs/dbraw/zinc/35/15/20/215351520.db2.gz DNVMRZKBURBXMP-UHFFFAOYSA-N 1 0 335.813 1.666 10 5 EDBERO [NH3+]C[C@@H]1CCCCN1S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000044556093 213633737 /nfs/dbraw/zinc/63/37/37/213633737.db2.gz FZJVUDNZDUEHSJ-VIFPVBQESA-N 1 0 333.797 1.750 10 5 EDBERO C[C@@H](Nc1cccc(S(C)(=O)=O)c1[N+](=O)[O-])[C@@H]1CCC[NH2+]C1 ZINC000262294794 139267423 /nfs/dbraw/zinc/26/74/23/139267423.db2.gz NREYVZUKCYICIL-GHMZBOCLSA-N 1 0 327.406 1.798 10 5 EDBERO CCOC(=O)c1ccnc(N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)c1[N+](=O)[O-] ZINC000150841929 441960425 /nfs/dbraw/zinc/96/04/25/441960425.db2.gz IVVOZTLLTIEFOQ-RYUDHWBXSA-N 1 0 334.376 1.839 10 5 EDBERO CCOC(=O)c1cc(C(=O)N2CC[C@@H]([NH+](C)C)C2)cc([N+](=O)[O-])c1 ZINC000170860480 442276998 /nfs/dbraw/zinc/27/69/98/442276998.db2.gz QOPQVALGLASDEY-CYBMUJFWSA-N 1 0 335.360 1.548 10 5 EDBERO O=[N+]([O-])c1cccc(CS(=O)(=O)N2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000178691760 442457145 /nfs/dbraw/zinc/45/71/45/442457145.db2.gz UTDHPMJWNWCYGO-CQSZACIVSA-N 1 0 325.390 1.205 10 5 EDBERO C[C@@H](O)C[N@@H+]1CCN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@@H]1C ZINC000193899101 442808680 /nfs/dbraw/zinc/80/86/80/442808680.db2.gz HJAXKYXTNHPBOM-NWDGAFQWSA-N 1 0 338.364 1.390 10 5 EDBERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000246953797 442824875 /nfs/dbraw/zinc/82/48/75/442824875.db2.gz ZWFYWZQEYKSQDY-IUODEOHRSA-N 1 0 341.433 1.743 10 5 EDBERO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000247066314 536952593 /nfs/dbraw/zinc/95/25/93/536952593.db2.gz HKISJNLFRSDMBU-DOMZBBRYSA-N 1 0 348.403 1.982 10 5 EDBERO O=[N+]([O-])c1ccccc1S(=O)(=O)N[C@H]1CC[C@]2(CCC[NH2+]2)C1 ZINC000757067532 579963273 /nfs/dbraw/zinc/96/32/73/579963273.db2.gz YWNASVSGELZJRW-SMDDNHRTSA-N 1 0 325.390 1.548 10 5 EDBERO CO[C@H]1C[NH2+][C@H](C(=O)Nc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000040633524 213362279 /nfs/dbraw/zinc/36/22/79/213362279.db2.gz NBPOBFPZJPVOAK-SCZZXKLOSA-N 1 0 344.165 1.673 10 5 EDBERO [NH3+][C@H]1COC[C@@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1Br ZINC000159461641 225221713 /nfs/dbraw/zinc/22/17/13/225221713.db2.gz WKDJBMFWIZSNQV-CBAPKCEASA-N 1 0 330.138 1.270 10 5 EDBERO O=C(NC1[C@H]2C[NH2+]C[C@@H]12)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000165818404 226136547 /nfs/dbraw/zinc/13/65/47/226136547.db2.gz XEROLDVRVHFPRA-ZACCUICWSA-N 1 0 326.150 1.305 10 5 EDBERO C[C@H]([NH3+])CCNS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1Cl ZINC000166043996 226144889 /nfs/dbraw/zinc/14/48/89/226144889.db2.gz RQYTYJAXSLDNNZ-LURJTMIESA-N 1 0 342.204 1.917 10 5 EDBERO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171770602 227272959 /nfs/dbraw/zinc/27/29/59/227272959.db2.gz KMSMFTKOULLZMS-GFCCVEGCSA-N 1 0 325.390 1.372 10 5 EDBERO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCO[C@H](C[NH+](C)C)C1 ZINC000155326743 289383719 /nfs/dbraw/zinc/38/37/19/289383719.db2.gz SZZLSKFVIMBSOA-CHWSQXEVSA-N 1 0 336.392 1.184 10 5 EDBERO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCCC[C@@H]2C[NH3+])c1C ZINC000237778832 301858208 /nfs/dbraw/zinc/85/82/08/301858208.db2.gz TZOSDAABOUZPBY-GFCCVEGCSA-N 1 0 327.406 1.714 10 5 EDBERO C[NH+]1CCC2(C[N@H+](Cc3ccc([N+](=O)[O-])cc3)C[C@@H]2C(=O)[O-])CC1 ZINC000008698700 441097213 /nfs/dbraw/zinc/09/72/13/441097213.db2.gz QPNJWMCJTUCIKY-OAHLLOKOSA-N 1 0 333.388 1.823 10 5 EDBERO CN(C(=O)c1ccc([N+](=O)[O-])o1)C1CC[NH+](CCn2cccn2)CC1 ZINC000109292434 441493718 /nfs/dbraw/zinc/49/37/18/441493718.db2.gz JNGCBSOQUXRTBY-UHFFFAOYSA-N 1 0 347.375 1.621 10 5 EDBERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000173439875 441750933 /nfs/dbraw/zinc/75/09/33/441750933.db2.gz LKRDKLXPKKVJNF-UONOGXRCSA-N 1 0 332.404 1.726 10 5 EDBERO Cn1cc([C@H]2CCC[N@@H+]2C[C@H](O)COc2ccccc2[N+](=O)[O-])cn1 ZINC000182231777 442747738 /nfs/dbraw/zinc/74/77/38/442747738.db2.gz GNJGWUSGBIRRHT-LSDHHAIUSA-N 1 0 346.387 1.905 10 5 EDBERO CCOC(=O)c1cc(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc([N+](=O)[O-])c1 ZINC000195312390 535675264 /nfs/dbraw/zinc/67/52/64/535675264.db2.gz CXQZYEUTJKVMED-CQSZACIVSA-N 1 0 347.371 1.692 10 5 EDBERO CC[C@H]1CN(Cc2cc([N+](=O)[O-])ccc2OC)CC[N@@H+]1C[C@H](C)O ZINC000252352928 536153276 /nfs/dbraw/zinc/15/32/76/536153276.db2.gz OGZKDBOKOSZGTQ-ZFWWWQNUSA-N 1 0 337.420 1.880 10 5 EDBERO COc1cc(S(=O)(=O)N[C@@H]2CCC[C@@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000124490025 597267259 /nfs/dbraw/zinc/26/72/59/597267259.db2.gz LHNNYAICWXCWJH-MWLCHTKSSA-N 1 0 329.378 1.009 10 5 EDBERO [NH3+]Cc1ccc(S(=O)(=O)NCc2ccccc2[N+](=O)[O-])s1 ZINC000050016026 214040738 /nfs/dbraw/zinc/04/07/38/214040738.db2.gz OULJDCQPMLBWLH-UHFFFAOYSA-N 1 0 327.387 1.594 10 5 EDBERO C[NH2+]C[C@H](O)COc1c(Br)cc(Cl)cc1[N+](=O)[O-] ZINC000037288584 213138990 /nfs/dbraw/zinc/13/89/90/213138990.db2.gz WRHSZHANRRGEOJ-ZETCQYMHSA-N 1 0 339.573 1.970 10 5 EDBERO Cc1ccc(S(=O)(=O)N[C@H]2C[N@H+](C(C)C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000246188344 139098261 /nfs/dbraw/zinc/09/82/61/139098261.db2.gz NWUPEMZXRLOVKH-OCCSQVGLSA-N 1 0 341.433 1.910 10 5 EDBERO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000247489552 139150369 /nfs/dbraw/zinc/15/03/69/139150369.db2.gz LKPPBNVGWGFPEF-LBPRGKRZSA-N 1 0 341.389 1.072 10 5 EDBERO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@@H](n2cncn2)C1 ZINC000248374197 139161053 /nfs/dbraw/zinc/16/10/53/139161053.db2.gz OODXTQJXEXTECV-KGLIPLIRSA-N 1 0 347.375 1.263 10 5 EDBERO Cc1c(F)cc(S(=O)(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000249629154 139196705 /nfs/dbraw/zinc/19/67/05/139196705.db2.gz UUOLWGHILCSKPO-QWRGUYRKSA-N 1 0 345.396 1.790 10 5 EDBERO CC1(C)CN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)CC[C@@H]1[NH3+] ZINC000261791855 139226465 /nfs/dbraw/zinc/22/64/65/139226465.db2.gz GPLRNLWAIPEEQR-AWEZNQCLSA-N 1 0 344.375 1.375 10 5 EDBERO [NH3+]C[C@H]1CN(c2cc(F)c(Br)cc2[N+](=O)[O-])CCO1 ZINC000165787317 226136345 /nfs/dbraw/zinc/13/63/45/226136345.db2.gz ILHSVPFIUCJABD-ZETCQYMHSA-N 1 0 334.145 1.660 10 5 EDBERO CC(C)(C)OC[C@@H](O)C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000047744814 441223677 /nfs/dbraw/zinc/22/36/77/441223677.db2.gz SRAGKJBOMBOMCS-INIZCTEOSA-N 1 0 337.420 1.893 10 5 EDBERO CC[C@@H](O)C[NH+]1CCN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CC1 ZINC000172761614 442537089 /nfs/dbraw/zinc/53/70/89/442537089.db2.gz KLCGYEOOTXIXQY-CYBMUJFWSA-N 1 0 348.403 1.372 10 5 EDBERO CC[C@@H]1CN(C(=O)Nc2ccncc2[N+](=O)[O-])CC[N@@H+]1C[C@@H](C)O ZINC000183556030 529373523 /nfs/dbraw/zinc/37/35/23/529373523.db2.gz GZUSSPOKBKDAFB-VXGBXAGGSA-N 1 0 337.380 1.299 10 5 EDBERO CC[N@@H+]1CCC[C@H]1CN(C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248374576 535590336 /nfs/dbraw/zinc/59/03/36/535590336.db2.gz RPFIMHQVBWRCRU-LSDHHAIUSA-N 1 0 337.420 1.751 10 5 EDBERO C[C@H]([NH3+])[C@@H]1CN(c2ccc([N+](=O)[O-])cc2Br)CCO1 ZINC000132933967 597914049 /nfs/dbraw/zinc/91/40/49/597914049.db2.gz XPTKKZPVWKHUFS-UFBFGSQYSA-N 1 0 330.182 1.910 10 5 EDBERO [NH3+]C[C@H]1CCCCN1S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000237968496 698551626 /nfs/dbraw/zinc/55/16/26/698551626.db2.gz NDMMQFQCXFSVSU-SNVBAGLBSA-N 1 0 333.797 1.750 10 5 EDBERO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000236983525 139037085 /nfs/dbraw/zinc/03/70/85/139037085.db2.gz BRAGYIWYGBNOBZ-DGCLKSJQSA-N 1 0 327.406 1.563 10 5 EDBERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CCn1nc(C)c([N+](=O)[O-])c1C ZINC000246893758 139125694 /nfs/dbraw/zinc/12/56/94/139125694.db2.gz GXLSJNDGDZXADY-GJZGRUSLSA-N 1 0 349.435 1.883 10 5 EDBERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000247466011 139149459 /nfs/dbraw/zinc/14/94/59/139149459.db2.gz RGKYMESPRRWLQM-OCCSQVGLSA-N 1 0 347.371 1.481 10 5 EDBERO CC1(C)CN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)CC[C@H]1[NH3+] ZINC000262154695 139255666 /nfs/dbraw/zinc/25/56/66/139255666.db2.gz XPUUSABUDTWXND-CYBMUJFWSA-N 1 0 325.340 1.699 10 5 EDBERO COc1cc(-c2nc([C@H]3C[NH2+]CCN3C)no2)cc([N+](=O)[O-])c1OC ZINC000263113713 139323048 /nfs/dbraw/zinc/32/30/48/139323048.db2.gz AMETUUFYCZOATF-LLVKDONJSA-N 1 0 349.347 1.238 10 5 EDBERO COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000178627737 533138316 /nfs/dbraw/zinc/13/83/16/533138316.db2.gz DIXVWFZYONBPDM-CQSZACIVSA-N 1 0 348.403 1.712 10 5 EDBERO [NH3+][C@@]1(C(=O)Nc2cc([N+](=O)[O-])ccc2Br)CCOC1 ZINC000159450350 225219962 /nfs/dbraw/zinc/21/99/62/225219962.db2.gz OLAGFDQIAVELPE-NSHDSACASA-N 1 0 330.138 1.414 10 5 EDBERO [NH3+][C@@H]1COC[C@@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1Br ZINC000159461881 225222141 /nfs/dbraw/zinc/22/21/41/225222141.db2.gz WKDJBMFWIZSNQV-IONNQARKSA-N 1 0 330.138 1.270 10 5 EDBERO O=[N+]([O-])c1cc(F)c(Br)cc1OC[C@@H]1C[NH2+]CCO1 ZINC000164104757 226044163 /nfs/dbraw/zinc/04/41/63/226044163.db2.gz KLQIARXCTGYSEK-ZETCQYMHSA-N 1 0 335.129 1.864 10 5 EDBERO [NH3+][C@@H]1CCC[C@@H]1NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000165872324 226140652 /nfs/dbraw/zinc/14/06/52/226140652.db2.gz FNLVQPXICXXKBI-MNOVXSKESA-N 1 0 328.166 1.967 10 5 EDBERO CC[N@@H+]1CCC[C@@H]1CN(C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000177713441 276169571 /nfs/dbraw/zinc/16/95/71/276169571.db2.gz FXLQRMFOEUUFRD-MRXNPFEDSA-N 1 0 346.431 1.900 10 5 EDBERO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N[C@H]2CCC[C@@H]2C[NH3+])c1 ZINC000193291370 280654976 /nfs/dbraw/zinc/65/49/76/280654976.db2.gz UQTAFJZKEKEVAS-ZJUUUORDSA-N 1 0 347.824 1.962 10 5 EDBERO C[C@H]([NH3+])C1CCN(c2cccc(S(C)(=O)=O)c2[N+](=O)[O-])CC1 ZINC000262308229 289766471 /nfs/dbraw/zinc/76/64/71/289766471.db2.gz PLMYSMRNZVHVAO-JTQLQIEISA-N 1 0 327.406 1.562 10 5 EDBERO CC[C@H](O)C[NH+]1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000106397025 441338849 /nfs/dbraw/zinc/33/88/49/441338849.db2.gz OACXCTADQSQTBQ-WHWKNOJMSA-N 1 0 333.388 1.523 10 5 EDBERO C[NH+](C)C[C@H]1CN(C(=O)CSc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000116792499 441847558 /nfs/dbraw/zinc/84/75/58/441847558.db2.gz JOZGWOIKWATXLV-ZDUSSCGKSA-N 1 0 339.417 1.476 10 5 EDBERO Cc1nc(C)n(C[C@H]2CCC[N@H+](CCn3cc([N+](=O)[O-])cn3)C2)n1 ZINC000174850726 441976144 /nfs/dbraw/zinc/97/61/44/441976144.db2.gz JKPMWUWWHHSGAW-AWEZNQCLSA-N 1 0 333.396 1.412 10 5 EDBERO CC[C@@H]1CN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC[N@@H+]1C[C@@H](C)O ZINC000121076674 442174960 /nfs/dbraw/zinc/17/49/60/442174960.db2.gz SAXHBWYCPKVIHH-GDBMZVCRSA-N 1 0 349.431 1.831 10 5 EDBERO C[C@@H](O)C[N@@H+]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@H]1C ZINC000177054033 442291520 /nfs/dbraw/zinc/29/15/20/442291520.db2.gz SRJBMINLAYHEOX-VXGBXAGGSA-N 1 0 334.376 1.623 10 5 EDBERO O=C(CC[N@@H+]1CCC[C@H](n2cncn2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000171618057 442362935 /nfs/dbraw/zinc/36/29/35/442362935.db2.gz IWVKTUNEOVCYPN-HNNXBMFYSA-N 1 0 344.375 1.852 10 5 EDBERO CSc1cccc(C(=O)N2CCO[C@@H](C[NH+](C)C)C2)c1[N+](=O)[O-] ZINC000188165127 442718982 /nfs/dbraw/zinc/71/89/82/442718982.db2.gz HSSUTCDZYUPGNX-NSHDSACASA-N 1 0 339.417 1.719 10 5 EDBERO CCOc1cc(C(=O)N2CC[C@H]([NH+](C)C)C2)c([N+](=O)[O-])cc1OC ZINC000170857828 528217687 /nfs/dbraw/zinc/21/76/87/528217687.db2.gz FTSSOVJHHHJARY-NSHDSACASA-N 1 0 337.376 1.778 10 5 EDBERO CC[C@H]1CN(Cn2ncc3ccc([N+](=O)[O-])cc32)CC[N@@H+]1CCOC ZINC000117324391 595629260 /nfs/dbraw/zinc/62/92/60/595629260.db2.gz LANNDIPDCKQXOL-HNNXBMFYSA-N 1 0 347.419 1.945 10 5 EDBERO Cc1cc(Cl)c(S(=O)(=O)N[C@H]2CCC[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000124519477 597272972 /nfs/dbraw/zinc/27/29/72/597272972.db2.gz JBJRKBHDFCCOHQ-KOLCDFICSA-N 1 0 347.824 1.962 10 5 EDBERO C[NH+](C)C[C@@H]1CN(c2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])CCO1 ZINC000108951828 282128358 /nfs/dbraw/zinc/12/83/58/282128358.db2.gz FRVCHDWNZHCHHU-CQSZACIVSA-N 1 0 348.403 1.254 10 5 EDBERO C[NH2+]CCS(=O)(=O)Nc1cc([N+](=O)[O-])ccc1Br ZINC000159478062 529979224 /nfs/dbraw/zinc/97/92/24/529979224.db2.gz AFSWVQSWMLZULR-UHFFFAOYSA-N 1 0 338.183 1.318 10 5 EDBERO O=C(CN1CC[N@@H+]2CCC[C@@H]2C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000178635591 232323437 /nfs/dbraw/zinc/32/34/37/232323437.db2.gz LMGRCMZIYKZZTL-GFCCVEGCSA-N 1 0 338.795 1.967 10 5 EDBERO CC[N@@H+]1CCC[C@H](NC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)C1 ZINC000067138768 215116432 /nfs/dbraw/zinc/11/64/32/215116432.db2.gz OGJAJTFLGVHRFG-LBPRGKRZSA-N 1 0 344.375 1.390 10 5 EDBERO Cn1cc([C@@H]2CC[N@H+](C[C@H](O)COc3ccccc3[N+](=O)[O-])C2)cn1 ZINC000181890383 234370206 /nfs/dbraw/zinc/37/02/06/234370206.db2.gz VHZUIDICLQWSOI-HIFRSBDPSA-N 1 0 346.387 1.558 10 5 EDBERO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2COCCO2)c(Br)c1 ZINC000038061650 213199996 /nfs/dbraw/zinc/19/99/96/213199996.db2.gz CPHISEZDNSSPQK-LLVKDONJSA-N 1 0 331.166 1.862 10 5 EDBERO Cc1ccc(NC(=O)C(=O)N[C@H]2C[N@H+](C(C)C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000246413313 139107498 /nfs/dbraw/zinc/10/74/98/139107498.db2.gz MEQGDAWLFLQUSS-OCCSQVGLSA-N 1 0 348.403 1.687 10 5 EDBERO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261709082 139219445 /nfs/dbraw/zinc/21/94/45/139219445.db2.gz BUWGVDRHFBGEOW-RISCZKNCSA-N 1 0 348.403 1.299 10 5 EDBERO C[C@@]1(CNc2cccc(S(C)(=O)=O)c2[N+](=O)[O-])CCC[NH2+]C1 ZINC000262092852 139250320 /nfs/dbraw/zinc/25/03/20/139250320.db2.gz IBOLTQNNPJEXMR-CQSZACIVSA-N 1 0 327.406 1.800 10 5 EDBERO O=[N+]([O-])c1cc(Br)cnc1N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261583237 285083890 /nfs/dbraw/zinc/08/38/90/285083890.db2.gz HDBPSNDVWQKINW-BDAKNGLRSA-N 1 0 327.182 1.798 10 5 EDBERO [NH3+]C[C@@H]1CCN(c2ccc(I)cc2[N+](=O)[O-])C1 ZINC000097349139 219013427 /nfs/dbraw/zinc/01/34/27/219013427.db2.gz MHIBYNSFNXDRLX-QMMMGPOBSA-N 1 0 347.156 1.984 10 5 EDBERO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCO[C@H](C[NH+](C)C)C1 ZINC000155326631 286785354 /nfs/dbraw/zinc/78/53/54/286785354.db2.gz SZZLSKFVIMBSOA-QWHCGFSZSA-N 1 0 336.392 1.184 10 5 EDBERO Cc1cc(Br)c(NC(=O)[C@@H]2COC[C@H]2[NH3+])cc1[N+](=O)[O-] ZINC000169226396 226234450 /nfs/dbraw/zinc/23/44/50/226234450.db2.gz AUZZNBQEWUNHPH-VXNVDRBHSA-N 1 0 344.165 1.578 10 5 EDBERO CCOc1cc(C(=O)N[C@H]2CCC[C@H]2C[NH3+])c([N+](=O)[O-])cc1OC ZINC000157641089 279945580 /nfs/dbraw/zinc/94/55/80/279945580.db2.gz PDLSLTUCMBOPMD-JQWIXIFHSA-N 1 0 337.376 1.859 10 5 EDBERO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@H]1CCC[C@@H]1C[NH3+] ZINC000237663949 280656386 /nfs/dbraw/zinc/65/63/86/280656386.db2.gz SZLXRKHZMQVUNA-YPMHNXCESA-N 1 0 327.406 1.617 10 5 EDBERO C[NH+](C)[C@@H]1CCCN(c2ccc([N+](=O)[O-])c(S(C)(=O)=O)c2)C1 ZINC000124521853 441934422 /nfs/dbraw/zinc/93/44/22/441934422.db2.gz SDYHZVJRSQNDCW-GFCCVEGCSA-N 1 0 327.406 1.529 10 5 EDBERO C[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccc(S(C)(=O)=O)cc1 ZINC000182186511 442743819 /nfs/dbraw/zinc/74/38/19/442743819.db2.gz PIIPCUWCPLETIN-NSHDSACASA-N 1 0 338.389 1.546 10 5 EDBERO Cc1c(Br)c(N2CCN(C)C[C@H]2C[NH3+])ncc1[N+](=O)[O-] ZINC000252863748 443048559 /nfs/dbraw/zinc/04/85/59/443048559.db2.gz OTQSUHVUIKUAJC-SECBINFHSA-N 1 0 344.213 1.140 10 5 EDBERO COc1cc(S(=O)(=O)N[C@H]2CCC[C@@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000124490205 597267239 /nfs/dbraw/zinc/26/72/39/597267239.db2.gz LHNNYAICWXCWJH-KOLCDFICSA-N 1 0 329.378 1.009 10 5 EDBERO [NH3+]C[C@H]1CCC[C@H]1NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000237847791 698429654 /nfs/dbraw/zinc/42/96/54/698429654.db2.gz RSSPZISHHOOCMO-PSASIEDQSA-N 1 0 333.797 1.654 10 5 EDBERO Cc1c(F)cc(S(=O)(=O)NC2(C[NH3+])CCCC2)cc1[N+](=O)[O-] ZINC000193275369 138965276 /nfs/dbraw/zinc/96/52/76/138965276.db2.gz DTNRGJUBKRSGAD-UHFFFAOYSA-N 1 0 331.369 1.592 10 5 EDBERO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000237191220 139043366 /nfs/dbraw/zinc/04/33/66/139043366.db2.gz IBGGBLQIYHDLNV-LLVKDONJSA-N 1 0 343.405 1.271 10 5 EDBERO COc1ccc(NC(=O)CN2CC[C@H]([NH3+])C(C)(C)C2)c([N+](=O)[O-])c1 ZINC000261815212 139228549 /nfs/dbraw/zinc/22/85/49/139228549.db2.gz XFXUTHOGDGUUBN-AWEZNQCLSA-N 1 0 336.392 1.601 10 5 EDBERO [NH3+][C@@H]1COC[C@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1Br ZINC000159461752 225222480 /nfs/dbraw/zinc/22/24/80/225222480.db2.gz WKDJBMFWIZSNQV-VXNVDRBHSA-N 1 0 330.138 1.270 10 5 EDBERO O=C(CNc1ccc([N+](=O)[O-])cc1Br)N1CC[NH2+]CC1 ZINC000044467098 440848838 /nfs/dbraw/zinc/84/88/38/440848838.db2.gz BQZINJIKDLIEDP-UHFFFAOYSA-N 1 0 343.181 1.201 10 5 EDBERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000113306179 441601838 /nfs/dbraw/zinc/60/18/38/441601838.db2.gz SPZFWMQDDLAJIS-WCQYABFASA-N 1 0 325.390 1.452 10 5 EDBERO C[NH+](C)[C@H]1CCN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000170866387 442280445 /nfs/dbraw/zinc/28/04/45/442280445.db2.gz GHAGOBPAXRCFGK-AWEZNQCLSA-N 1 0 329.360 1.557 10 5 EDBERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000190107011 443057931 /nfs/dbraw/zinc/05/79/31/443057931.db2.gz SPWCMEFUBZZOBW-BXUZGUMPSA-N 1 0 332.360 1.228 10 5 EDBERO C[C@H]([NH3+])[C@@H]1CN(c2c(Br)cncc2[N+](=O)[O-])CCO1 ZINC000235514651 443139088 /nfs/dbraw/zinc/13/90/88/443139088.db2.gz SXEVMOVKNSJAKJ-XVKPBYJWSA-N 1 0 331.170 1.305 10 5 EDBERO C[N@@H+](Cc1cccnc1)C[C@H]1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000190670914 443160795 /nfs/dbraw/zinc/16/07/95/443160795.db2.gz YAEHXWVLGKMRSQ-CYBMUJFWSA-N 1 0 344.375 1.307 10 5 EDBERO Cc1cc(S(=O)(=O)N2CC[C@H]([NH+](C)C)C2)cc([N+](=O)[O-])c1F ZINC000154302365 534036181 /nfs/dbraw/zinc/03/61/81/534036181.db2.gz FKOQGISCMMKBQR-JTQLQIEISA-N 1 0 331.369 1.367 10 5 EDBERO O=[N+]([O-])c1c(Cl)ccc(S(=O)(=O)N[C@H]2CC[NH2+]C2)c1Cl ZINC000166042438 534878533 /nfs/dbraw/zinc/87/85/33/534878533.db2.gz YGHAHQHSWKJQBJ-LURJTMIESA-N 1 0 340.188 1.542 10 5 EDBERO CO[C@@H]1C[NH2+][C@H](C(=O)Nc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000040633525 213362874 /nfs/dbraw/zinc/36/28/74/213362874.db2.gz NBPOBFPZJPVOAK-WPRPVWTQSA-N 1 0 344.165 1.673 10 5 EDBERO Cn1cc([C@H]2CC[N@H+](C[C@H](O)COc3ccccc3[N+](=O)[O-])C2)cn1 ZINC000181890405 234370122 /nfs/dbraw/zinc/37/01/22/234370122.db2.gz VHZUIDICLQWSOI-ZFWWWQNUSA-N 1 0 346.387 1.558 10 5 EDBERO CC[C@H]1CN(CCOc2ccccc2[N+](=O)[O-])CC[N@@H+]1C[C@@H](C)O ZINC000105827634 219548712 /nfs/dbraw/zinc/54/87/12/219548712.db2.gz HDJFOYQMMHRLHZ-CABCVRRESA-N 1 0 337.420 1.751 10 5 EDBERO C[N@H+](CCO)Cc1c(-c2ccc([N+](=O)[O-])cc2)nc2ccc(N)cn21 ZINC000036275968 213080240 /nfs/dbraw/zinc/08/02/40/213080240.db2.gz DGWRTLIEKOVLAZ-UHFFFAOYSA-N 1 0 341.371 1.916 10 5 EDBERO C[C@@H]1CCN(c2cccc(S(C)(=O)=O)c2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000262494032 287604323 /nfs/dbraw/zinc/60/43/23/287604323.db2.gz LFKMYLHJRRAXJM-MNOVXSKESA-N 1 0 327.406 1.419 10 5 EDBERO CCCCOC[C@H](O)C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000193372250 272991827 /nfs/dbraw/zinc/99/18/27/272991827.db2.gz VYXFCWLHIOYLPD-QGZVFWFLSA-N 1 0 337.420 1.894 10 5 EDBERO [NH3+][C@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000038050086 295333811 /nfs/dbraw/zinc/33/38/11/295333811.db2.gz YQDDXKRBFNOKJU-UWVGGRQHSA-N 1 0 333.797 1.796 10 5 EDBERO CC[C@H](C)[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000013541548 441159959 /nfs/dbraw/zinc/15/99/59/441159959.db2.gz ZCYNEEKHMUQDBT-CQDKDKBSSA-N 1 0 348.403 1.898 10 5 EDBERO COc1cc(C(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000113222918 441589735 /nfs/dbraw/zinc/58/97/35/441589735.db2.gz PVEZYOJFPTYIMF-VXGBXAGGSA-N 1 0 349.387 1.921 10 5 EDBERO CC[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C[C@@H](C)O ZINC000173270251 442637630 /nfs/dbraw/zinc/63/76/30/442637630.db2.gz NRNFXZONCRMBQJ-TZMCWYRMSA-N 1 0 336.392 1.904 10 5 EDBERO CC[C@H]([NH2+]CC(=O)N1CCN(C(C)=O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000181530711 442702100 /nfs/dbraw/zinc/70/21/00/442702100.db2.gz KTUUKRHLXBAHLS-INIZCTEOSA-N 1 0 348.403 1.326 10 5 EDBERO O=C([C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000183039160 442869291 /nfs/dbraw/zinc/86/92/91/442869291.db2.gz LKWJQRYPTQJMTP-WBMJQRKESA-N 1 0 344.371 1.394 10 5 EDBERO CC[N@@H+]1CCC[C@@H](NC(=O)NCc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000194161745 442854874 /nfs/dbraw/zinc/85/48/74/442854874.db2.gz LHGGDPOMYNQLDL-CYBMUJFWSA-N 1 0 336.392 1.887 10 5 EDBERO CC[N@@H+]1CCC[C@H](NC(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000194624444 442926280 /nfs/dbraw/zinc/92/62/80/442926280.db2.gz NXWXURQLZBVLQO-NSHDSACASA-N 1 0 337.376 1.826 10 5 EDBERO Cc1ccc(C)c(S(=O)(=O)N2CC[N@@H+]3CCC[C@H]3C2)c1[N+](=O)[O-] ZINC000249390150 442971367 /nfs/dbraw/zinc/97/13/67/442971367.db2.gz FTPIREHPPSMRNB-ZDUSSCGKSA-N 1 0 339.417 1.680 10 5 EDBERO Cc1nn(C)c(N2CC[C@H](C[N@H+](C)Cc3cccnc3)C2)c1[N+](=O)[O-] ZINC000190447669 443111166 /nfs/dbraw/zinc/11/11/66/443111166.db2.gz OHJFRVWAZJEIFU-OAHLLOKOSA-N 1 0 344.419 1.990 10 5 EDBERO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000246088393 443266812 /nfs/dbraw/zinc/26/68/12/443266812.db2.gz GLROCOVPKOVDLR-TZMCWYRMSA-N 1 0 341.433 1.910 10 5 EDBERO Cc1c(Br)c(=O)n(Cc2cc(N)cc[nH+]2)cc1[N+](=O)[O-] ZINC000165423385 533706895 /nfs/dbraw/zinc/70/68/95/533706895.db2.gz XVHOHTIEGAIIAP-UHFFFAOYSA-N 1 0 339.149 1.853 10 5 EDBERO CC[C@H]1CN(C(=O)Nc2ccncc2[N+](=O)[O-])CC[N@@H+]1C[C@@H](C)O ZINC000183556049 529277781 /nfs/dbraw/zinc/27/77/81/529277781.db2.gz GZUSSPOKBKDAFB-NEPJUHHUSA-N 1 0 337.380 1.299 10 5 EDBERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000247556870 536166878 /nfs/dbraw/zinc/16/68/78/536166878.db2.gz RLEPLFHZMSJJSD-STQMWFEESA-N 1 0 336.396 1.060 10 5 EDBERO [NH3+]C1CCC(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000051693443 214100261 /nfs/dbraw/zinc/10/02/61/214100261.db2.gz ZWWFRBPDYJIMCM-UHFFFAOYSA-N 1 0 333.797 1.796 10 5 EDBERO C[C@@H]1C[NH2+]C[C@@H](C)N1S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000069133656 215361671 /nfs/dbraw/zinc/36/16/71/215361671.db2.gz NWGPYQCPYCSMAW-RKDXNWHRSA-N 1 0 333.797 1.619 10 5 EDBERO [NH3+][C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)C1 ZINC000193223521 283626490 /nfs/dbraw/zinc/62/64/90/283626490.db2.gz ZHUWPTXNDJVRTE-JTQLQIEISA-N 1 0 336.373 1.255 10 5 EDBERO Cc1c(Cl)cc(S(=O)(=O)N2C[C@H]([NH3+])[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000235655430 139026165 /nfs/dbraw/zinc/02/61/65/139026165.db2.gz SBDGKMPKGLZMDX-CPCISQLKSA-N 1 0 333.797 1.524 10 5 EDBERO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000246332406 139104474 /nfs/dbraw/zinc/10/44/74/139104474.db2.gz DULPDYREKZRRPS-CZUORRHYSA-N 1 0 335.404 1.756 10 5 EDBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000249179491 139188513 /nfs/dbraw/zinc/18/85/13/139188513.db2.gz MWFJWHYKVYGWIC-TZMCWYRMSA-N 1 0 346.387 1.537 10 5 EDBERO O=[N+]([O-])c1ccc2nc(S(=O)(=O)C[C@H]3CCC[NH2+]C3)cnc2c1 ZINC000095092270 218280028 /nfs/dbraw/zinc/28/00/28/218280028.db2.gz JDXKYZIUAJSZTC-JTQLQIEISA-N 1 0 336.373 1.311 10 5 EDBERO COc1cc(C(=O)N2CC[C@@H]([NH3+])C(C)(C)C2)c([N+](=O)[O-])cc1OC ZINC000261613075 139211001 /nfs/dbraw/zinc/21/10/01/139211001.db2.gz FAQMGCWAUCWEIJ-CQSZACIVSA-N 1 0 337.376 1.811 10 5 EDBERO [NH3+][C@@H]1CCC[C@@H](C(=O)N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)C1 ZINC000246697741 148971678 /nfs/dbraw/zinc/97/16/78/148971678.db2.gz VZLHHRUBAMDNRV-UPJWGTAASA-N 1 0 333.392 1.520 10 5 EDBERO C[NH+](C)CCCN1C[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1=O ZINC000170557369 226626939 /nfs/dbraw/zinc/62/69/39/226626939.db2.gz DAXRIIUMUXKXFG-LBPRGKRZSA-N 1 0 334.376 1.334 10 5 EDBERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000113305593 300316689 /nfs/dbraw/zinc/31/66/89/300316689.db2.gz NTCJZRITWQNPRC-NWDGAFQWSA-N 1 0 325.390 1.452 10 5 EDBERO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCCN(c3cccnn3)CC2)c1 ZINC000105799872 441273451 /nfs/dbraw/zinc/27/34/51/441273451.db2.gz KKCKIMYLUDUCJJ-UHFFFAOYSA-N 1 0 343.387 1.976 10 5 EDBERO C[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000176232027 442196912 /nfs/dbraw/zinc/19/69/12/442196912.db2.gz DUJIBVJLDLDIOT-CYBMUJFWSA-N 1 0 331.380 1.182 10 5 EDBERO CC[C@H]1CN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC[N@@H+]1C[C@H](C)O ZINC000247498994 442857732 /nfs/dbraw/zinc/85/77/32/442857732.db2.gz LNNPPABRTPXMPM-JSGCOSHPSA-N 1 0 336.392 1.904 10 5 EDBERO Cc1c(Br)c(NC[C@@H]2C[NH2+]CCO2)ncc1[N+](=O)[O-] ZINC000165841842 533706994 /nfs/dbraw/zinc/70/69/94/533706994.db2.gz BXHRGDKKHFOAET-QMMMGPOBSA-N 1 0 331.170 1.461 10 5 EDBERO CC[N@@H+]1CCC[C@H](NC(=O)COc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000070825496 535572473 /nfs/dbraw/zinc/57/24/73/535572473.db2.gz VTDIGCJJFVLKJR-LBPRGKRZSA-N 1 0 337.376 1.583 10 5 EDBERO CN1CCN(c2ccc([N+](=O)[O-])cc2Br)[C@H](C[NH3+])C1 ZINC000122801847 596663584 /nfs/dbraw/zinc/66/35/84/596663584.db2.gz GJHFEGHNUUCNFM-SNVBAGLBSA-N 1 0 329.198 1.436 10 5 EDBERO [NH3+][C@@H]1CCC[C@@H]1NC(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000063171913 214747551 /nfs/dbraw/zinc/74/75/51/214747551.db2.gz PMTIEKRKSPQINH-MNOVXSKESA-N 1 0 328.166 1.967 10 5 EDBERO O=C(Nc1cc([N+](=O)[O-])ccc1Br)[C@H]1C[NH2+]CCO1 ZINC000159454343 225219837 /nfs/dbraw/zinc/21/98/37/225219837.db2.gz BCAQLJOZLRUWRI-SNVBAGLBSA-N 1 0 330.138 1.284 10 5 EDBERO CC[N@@H+]1CCC[C@H]1CN(C)c1ccc([N+](=O)[O-])c(S(C)(=O)=O)c1 ZINC000125738172 442044636 /nfs/dbraw/zinc/04/46/36/442044636.db2.gz JTAHZRSICHDFNA-ZDUSSCGKSA-N 1 0 341.433 1.919 10 5 EDBERO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000247500894 442857477 /nfs/dbraw/zinc/85/74/77/442857477.db2.gz VAXPHXHOOVIRMM-TZMCWYRMSA-N 1 0 339.417 1.760 10 5 EDBERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000174003767 529088902 /nfs/dbraw/zinc/08/89/02/529088902.db2.gz REUXXYYRYBKIBL-DOMZBBRYSA-N 1 0 341.433 1.743 10 5 EDBERO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CC[C@@]3(CCC[NH2+]3)C2)cc1 ZINC000757067129 579963292 /nfs/dbraw/zinc/96/32/92/579963292.db2.gz CQGJTIQAAUCSRL-RISCZKNCSA-N 1 0 325.390 1.548 10 5 EDBERO C[C@H]1C[NH2+]C[C@H](C)N1S(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000069133688 215362417 /nfs/dbraw/zinc/36/24/17/215362417.db2.gz BYBRFZDOFXWCTL-IUCAKERBSA-N 1 0 333.797 1.619 10 5 EDBERO COc1c(F)cc(S(=O)(=O)N2CCCC[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000193246397 138964561 /nfs/dbraw/zinc/96/45/61/138964561.db2.gz ZOLFNDCECTXPDC-SECBINFHSA-N 1 0 347.368 1.244 10 5 EDBERO O=C(CN1CC[N@@H+]2CCC[C@H]2C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000246264204 139101657 /nfs/dbraw/zinc/10/16/57/139101657.db2.gz GRAJLWWEZIPHOM-LBPRGKRZSA-N 1 0 338.795 1.967 10 5 EDBERO COc1cc(OCC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)ccc1[N+](=O)[O-] ZINC000247457458 139149095 /nfs/dbraw/zinc/14/90/95/139149095.db2.gz QMILSVMEWLFTRY-OLZOCXBDSA-N 1 0 349.387 1.677 10 5 EDBERO CC1(C)CN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC[C@@H]1[NH3+] ZINC000261787770 139226072 /nfs/dbraw/zinc/22/60/72/139226072.db2.gz URYFSMAYVRGEAY-GJZGRUSLSA-N 1 0 332.404 1.759 10 5 EDBERO Cn1nc(C2CC[NH2+]CC2)nc1NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000262383684 139274977 /nfs/dbraw/zinc/27/49/77/139274977.db2.gz OHJWOUVLEASWEZ-UHFFFAOYSA-N 1 0 344.375 1.372 10 5 EDBERO COc1ccc(C(=O)NC[C@H](O)C[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000160030531 533333307 /nfs/dbraw/zinc/33/33/07/533333307.db2.gz VVWMRSHQUGREDD-ZDUSSCGKSA-N 1 0 337.376 1.180 10 5 EDBERO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@](C)(C[NH3+])C1CC1 ZINC000160156906 225350071 /nfs/dbraw/zinc/35/00/71/225350071.db2.gz NLKLSODKCQZZKP-ZDUSSCGKSA-N 1 0 329.378 1.009 10 5 EDBERO Cc1cc(Br)c(NC(=O)COCC[NH3+])cc1[N+](=O)[O-] ZINC000169238162 226234923 /nfs/dbraw/zinc/23/49/23/226234923.db2.gz BOYMKDGNQJOFCD-UHFFFAOYSA-N 1 0 332.154 1.580 10 5 EDBERO C[C@H]([NH2+][C@@H]1CCc2ncnn2C1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000105870964 441301903 /nfs/dbraw/zinc/30/19/03/441301903.db2.gz BVMKSYAETUURAN-CMPLNLGQSA-N 1 0 330.348 1.118 10 5 EDBERO COc1cc(OCC(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000113228612 441591131 /nfs/dbraw/zinc/59/11/31/441591131.db2.gz QMILSVMEWLFTRY-QWHCGFSZSA-N 1 0 349.387 1.677 10 5 EDBERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000161433902 441999035 /nfs/dbraw/zinc/99/90/35/441999035.db2.gz RLEPLFHZMSJJSD-CHWSQXEVSA-N 1 0 336.396 1.060 10 5 EDBERO [NH3+]C[C@@H]1CCCN1C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000131565917 442374926 /nfs/dbraw/zinc/37/49/26/442374926.db2.gz GPRLQQXVTZJAOR-JTQLQIEISA-N 1 0 328.166 1.921 10 5 EDBERO O=C(CC[N@@H+]1CCC[C@@H](n2cncn2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000171618064 442363277 /nfs/dbraw/zinc/36/32/77/442363277.db2.gz IWVKTUNEOVCYPN-OAHLLOKOSA-N 1 0 344.375 1.852 10 5 EDBERO CC[C@H]([NH2+]CC(=O)N[C@H](C)C(=O)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000181532255 442702424 /nfs/dbraw/zinc/70/24/24/442702424.db2.gz CELKPHQHMNQYKU-RISCZKNCSA-N 1 0 336.392 1.228 10 5 EDBERO C[NH+](C)[C@H]1CCN(C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000182739054 442816963 /nfs/dbraw/zinc/81/69/63/442816963.db2.gz HDJMBZAYWOZVLM-JTQLQIEISA-N 1 0 340.767 1.349 10 5 EDBERO [NH3+]CC[C@H](Nc1c(Br)cncc1[N+](=O)[O-])C(F)F ZINC000394764838 303854284 /nfs/dbraw/zinc/85/42/84/303854284.db2.gz BIUWSFHAVLMCGU-LURJTMIESA-N 1 0 325.113 1.569 10 5 EDBERO O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000237969306 139065371 /nfs/dbraw/zinc/06/53/71/139065371.db2.gz XVRHQUWCLGMMEG-PBWFPOADSA-N 1 0 341.371 1.793 10 5 EDBERO CCc1nn(C)c(N2CC[N@H+](CCOC)[C@@H](CC)C2)c1[N+](=O)[O-] ZINC000245574336 139079745 /nfs/dbraw/zinc/07/97/45/139079745.db2.gz ZKEWKNHGYXPKBQ-LBPRGKRZSA-N 1 0 325.413 1.438 10 5 EDBERO Cc1c(NC(=O)C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000246353273 139105191 /nfs/dbraw/zinc/10/51/91/139105191.db2.gz HYGSIROIZBLYMR-BXUZGUMPSA-N 1 0 348.403 1.687 10 5 EDBERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000247203416 139140202 /nfs/dbraw/zinc/14/02/02/139140202.db2.gz LRJIYTXQTMOIFR-RYUDHWBXSA-N 1 0 337.351 1.808 10 5 EDBERO CC(C)(C)OC(=O)NC[C@H]1CCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000174879807 441978206 /nfs/dbraw/zinc/97/82/06/441978206.db2.gz NGMBWLRQGWAGKZ-GFCCVEGCSA-N 1 0 339.396 1.780 10 5 EDBERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000176889239 442267430 /nfs/dbraw/zinc/26/74/30/442267430.db2.gz RINLIUWBHDVOFB-AWEZNQCLSA-N 1 0 334.376 1.476 10 5 EDBERO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000184795326 443077673 /nfs/dbraw/zinc/07/76/73/443077673.db2.gz IHQYGXHFKKTGKL-NVXWUHKLSA-N 1 0 349.431 1.953 10 5 EDBERO CCC[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])c(C)c(Br)c1=O ZINC000165368321 528517360 /nfs/dbraw/zinc/51/73/60/528517360.db2.gz FYSPBTRJNOOXGV-VIFPVBQESA-N 1 0 348.197 1.188 10 5 EDBERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NS(=O)(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000248426435 535258346 /nfs/dbraw/zinc/25/83/46/535258346.db2.gz LAXLKMCBYNIYAX-TZMCWYRMSA-N 1 0 341.433 1.743 10 5 EDBERO C[NH+](C)C[C@H](NC(=O)CCn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000097681468 219047843 /nfs/dbraw/zinc/04/78/43/219047843.db2.gz YIWHATLGVGIAAL-HNNXBMFYSA-N 1 0 331.376 1.601 10 5 EDBERO CCc1nccn1[C@H]1CCC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000174785635 529761271 /nfs/dbraw/zinc/76/12/71/529761271.db2.gz HTZNYQUJYXWORB-ZFWWWQNUSA-N 1 0 348.407 1.248 10 5 EDBERO C[C@H]([NH3+])[C@H]1CCCN(C(=O)[C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000246665296 139117122 /nfs/dbraw/zinc/11/71/22/139117122.db2.gz DTQCGELBFUACMD-OBJOEFQTSA-N 1 0 348.403 1.299 10 5 EDBERO Cn1cc([C@H]2CCC[N@@H+]2C[C@@H](O)COc2ccccc2[N+](=O)[O-])cn1 ZINC000248373130 139161072 /nfs/dbraw/zinc/16/10/72/139161072.db2.gz GNJGWUSGBIRRHT-HUUCEWRRSA-N 1 0 346.387 1.905 10 5 EDBERO O=[N+]([O-])c1ccc2sc(S(=O)(=O)C[C@H]3CCC[NH2+]3)nc2c1 ZINC000095092212 218280120 /nfs/dbraw/zinc/28/01/20/218280120.db2.gz UHKNTBAPGWCMFJ-MRVPVSSYSA-N 1 0 327.387 1.730 10 5 EDBERO O=C(COc1ccc([N+](=O)[O-])c(F)c1)NCC[C@@H]1CCC[NH2+]C1 ZINC000237722124 148965934 /nfs/dbraw/zinc/96/59/34/148965934.db2.gz LJVSDUWZBJNWEI-NSHDSACASA-N 1 0 325.340 1.619 10 5 EDBERO O=C(Nc1cc([N+](=O)[O-])ccc1Br)[C@@H]1C[NH2+]CCO1 ZINC000159454217 225219784 /nfs/dbraw/zinc/21/97/84/225219784.db2.gz BCAQLJOZLRUWRI-JTQLQIEISA-N 1 0 330.138 1.284 10 5 EDBERO CC1(C)CN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC[C@H]1[NH3+] ZINC000261942807 278320985 /nfs/dbraw/zinc/32/09/85/278320985.db2.gz JNPBRPKDUZCWEU-CQSZACIVSA-N 1 0 335.360 1.565 10 5 EDBERO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@](C)(C[NH3+])C2CC2)cc1C ZINC000237667198 280655582 /nfs/dbraw/zinc/65/55/82/280655582.db2.gz FKKKELVCSVJWJR-AWEZNQCLSA-N 1 0 327.406 1.617 10 5 EDBERO COc1ccc(S(=O)(=O)N2CC[C@H](C)C[C@@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC000261896998 295195423 /nfs/dbraw/zinc/19/54/23/295195423.db2.gz 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COc1cccc(C[NH2+][C@H](CO)[C@@H](O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000237237153 139045330 /nfs/dbraw/zinc/04/53/30/139045330.db2.gz BFCBBWQIAGSLAK-ZBFHGGJFSA-N 1 0 333.344 1.183 10 5 EDBERO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCC[C@@H](Cn3cncn3)C2)c1 ZINC000246256782 139101275 /nfs/dbraw/zinc/10/12/75/139101275.db2.gz KESAYPNSCBUEME-CZUORRHYSA-N 1 0 331.376 1.632 10 5 EDBERO C[C@@H]1C[N@H+](CCOc2ccccc2[N+](=O)[O-])C[C@H]1N1CCOCC1 ZINC000246552866 139112727 /nfs/dbraw/zinc/11/27/27/139112727.db2.gz UDWBTWBBXRSFJH-GDBMZVCRSA-N 1 0 335.404 1.626 10 5 EDBERO CC[C@@H]1CN(CCOc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C[C@H](C)O ZINC000247392468 139147306 /nfs/dbraw/zinc/14/73/06/139147306.db2.gz XGQRPRLJLGHTMW-LSDHHAIUSA-N 1 0 337.420 1.751 10 5 EDBERO O=[N+]([O-])c1cc(Br)cnc1N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261583240 285083880 /nfs/dbraw/zinc/08/38/80/285083880.db2.gz HDBPSNDVWQKINW-RKDXNWHRSA-N 1 0 327.182 1.798 10 5 EDBERO COc1cc(-c2nc([C@H]3C[NH2+]CCN3C)no2)c([N+](=O)[O-])cc1OC ZINC000263304771 139334603 /nfs/dbraw/zinc/33/46/03/139334603.db2.gz XPLGESYWAGFGOL-LLVKDONJSA-N 1 0 349.347 1.238 10 5 EDBERO C[C@@H](O)C[N@@H+]1CCN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C[C@@H]1C ZINC000105790655 274270831 /nfs/dbraw/zinc/27/08/31/274270831.db2.gz IAVGTNAKMDODFE-NWDGAFQWSA-N 1 0 348.403 1.371 10 5 EDBERO C[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@H]1CCCN(c2cccnn2)C1 ZINC000174848698 441975934 /nfs/dbraw/zinc/97/59/34/441975934.db2.gz OZUBOCNQYGATNQ-ZDUSSCGKSA-N 1 0 331.380 1.182 10 5 EDBERO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000175111656 442006466 /nfs/dbraw/zinc/00/64/66/442006466.db2.gz GXFLUMBZXUQBBG-CYBMUJFWSA-N 1 0 339.417 1.680 10 5 EDBERO CCOC(=O)c1ccnc(N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)c1[N+](=O)[O-] ZINC000246649634 442799172 /nfs/dbraw/zinc/79/91/72/442799172.db2.gz IVVOZTLLTIEFOQ-NEPJUHHUSA-N 1 0 334.376 1.839 10 5 EDBERO Cc1cc(C)c(S(=O)(=O)N2CC[N@@H+]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000249134001 442955941 /nfs/dbraw/zinc/95/59/41/442955941.db2.gz YKYMGEWXFNMYFE-ZDUSSCGKSA-N 1 0 339.417 1.680 10 5 EDBERO O=C(Nc1nccc2c1cccc2[N+](=O)[O-])[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000898462915 591363761 /nfs/dbraw/zinc/36/37/61/591363761.db2.gz VIMLBYCGAODZFW-IAQYHMDHSA-N 1 0 342.355 1.945 10 5 EDBERO COc1cc(S(=O)(=O)N[C@H]2CCC[C@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000124490529 597267370 /nfs/dbraw/zinc/26/73/70/597267370.db2.gz LHNNYAICWXCWJH-ONGXEEELSA-N 1 0 329.378 1.009 10 5 EDBERO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000193512806 695805957 /nfs/dbraw/zinc/80/59/57/695805957.db2.gz NGQDGPRAQJGHNS-ABAIWWIYSA-N 1 0 329.360 1.651 10 5 EDBERO CCOc1cc(C(=O)N[C@@H]2CCC[NH2+][C@H]2C)c([N+](=O)[O-])cc1OC ZINC000193517345 695809237 /nfs/dbraw/zinc/80/92/37/695809237.db2.gz YXSUWGMDRIWCCL-CMPLNLGQSA-N 1 0 337.376 1.872 10 5 EDBERO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CC[C@@H](N3CCOCC3)C2)cc1 ZINC000173928684 231073434 /nfs/dbraw/zinc/07/34/34/231073434.db2.gz PCPNJIRARUXFBI-MRXNPFEDSA-N 1 0 335.404 1.770 10 5 EDBERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000181898388 234373068 /nfs/dbraw/zinc/37/30/68/234373068.db2.gz VMDIUXTWSBHJRD-ZYHUDNBSSA-N 1 0 333.344 1.632 10 5 EDBERO C[NH2+]C[C@@H](O)COc1c(Br)cc(Cl)cc1[N+](=O)[O-] ZINC000037288586 202339319 /nfs/dbraw/zinc/33/93/19/202339319.db2.gz WRHSZHANRRGEOJ-SSDOTTSWSA-N 1 0 339.573 1.970 10 5 EDBERO C[C@@H]1C[C@@H]([NH3+])CCN1S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)s1 ZINC000156145831 201399406 /nfs/dbraw/zinc/39/94/06/201399406.db2.gz JKQSNPMBJYHSHH-RQJHMYQMSA-N 1 0 339.826 1.810 10 5 EDBERO CCOC(=O)c1cc(N2CCO[C@@H](C[NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000125783060 205026124 /nfs/dbraw/zinc/02/61/24/205026124.db2.gz IFABMUCPYLVFSH-ZDUSSCGKSA-N 1 0 337.376 1.538 10 5 EDBERO CC[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C[C@H](C)O ZINC000246929297 139127310 /nfs/dbraw/zinc/12/73/10/139127310.db2.gz RCZACWNVBJAPND-DZGCQCFKSA-N 1 0 335.404 1.441 10 5 EDBERO CC[C@@H]1CN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC[N@@H+]1C[C@@H](C)O ZINC000174639182 207040175 /nfs/dbraw/zinc/04/01/75/207040175.db2.gz SKTGSYOCHJNIER-UKRRQHHQSA-N 1 0 335.404 1.441 10 5 EDBERO Cn1nc(C2CC[NH2+]CC2)nc1NC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000262401472 139276459 /nfs/dbraw/zinc/27/64/59/139276459.db2.gz REYVYGQGHANYPA-UHFFFAOYSA-N 1 0 345.363 1.025 10 5 EDBERO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@@H]1CCC[C@H]1C[NH3+] ZINC000237663832 278744505 /nfs/dbraw/zinc/74/45/05/278744505.db2.gz SZLXRKHZMQVUNA-WCQYABFASA-N 1 0 327.406 1.617 10 5 EDBERO Cc1ccc(C)c(S(=O)(=O)N2CCCC[C@H]2C[NH3+])c1[N+](=O)[O-] ZINC000193246495 280798540 /nfs/dbraw/zinc/79/85/40/280798540.db2.gz GYDSGZWCUNOQIP-LBPRGKRZSA-N 1 0 327.406 1.714 10 5 EDBERO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H](O)CN1CCCC1=O ZINC000111685014 441540070 /nfs/dbraw/zinc/54/00/70/441540070.db2.gz HVVJDLPRYFNIOW-INIZCTEOSA-N 1 0 335.404 1.789 10 5 EDBERO Cc1cc(C(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)c(N)c([N+](=O)[O-])c1 ZINC000173979304 441873226 /nfs/dbraw/zinc/87/32/26/441873226.db2.gz IMTMKBLSKMGWLA-DOMZBBRYSA-N 1 0 348.403 1.278 10 5 EDBERO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000173884896 441855400 /nfs/dbraw/zinc/85/54/00/441855400.db2.gz JUTSUEBCTQGKJD-AAEUAGOBSA-N 1 0 341.433 1.910 10 5 EDBERO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171770766 442380155 /nfs/dbraw/zinc/38/01/55/442380155.db2.gz WXTWTSROKWZTCW-GFCCVEGCSA-N 1 0 325.390 1.372 10 5 EDBERO CC[C@H]1CN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC[N@@H+]1C[C@@H](C)O ZINC000173271532 442637574 /nfs/dbraw/zinc/63/75/74/442637574.db2.gz LNNPPABRTPXMPM-OCCSQVGLSA-N 1 0 336.392 1.904 10 5 EDBERO Cc1cc(N2CCN(C)C[C@@H]2C[NH3+])c(Br)cc1[N+](=O)[O-] ZINC000234363796 443138303 /nfs/dbraw/zinc/13/83/03/443138303.db2.gz LRNRSZOBTWEEPI-JTQLQIEISA-N 1 0 343.225 1.745 10 5 EDBERO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000237799141 698372288 /nfs/dbraw/zinc/37/22/88/698372288.db2.gz KFALRXBXSKLTKQ-RISCZKNCSA-N 1 0 329.360 1.638 10 5 EDBERO CC(C)[NH+]1CCC(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000022999800 202096731 /nfs/dbraw/zinc/09/67/31/202096731.db2.gz VQQDNZRYFJNRTF-UHFFFAOYSA-N 1 0 341.433 1.994 10 5 EDBERO C[C@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)C[C@@H]1[NH3+] ZINC000070146515 202309319 /nfs/dbraw/zinc/30/93/19/202309319.db2.gz QRITZMUSYODCLK-KWQFWETISA-N 1 0 333.797 1.606 10 5 EDBERO C[N@H+](CCO)Cc1c(-c2cccc([N+](=O)[O-])c2)nc2ccc(N)cn21 ZINC000036275970 202319930 /nfs/dbraw/zinc/31/99/30/202319930.db2.gz CLFSYQQWAWPAKZ-UHFFFAOYSA-N 1 0 341.371 1.916 10 5 EDBERO C[NH2+]CCCNS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1Cl ZINC000166041673 201421913 /nfs/dbraw/zinc/42/19/13/201421913.db2.gz RPRDDLJNHWBNJR-UHFFFAOYSA-N 1 0 342.204 1.789 10 5 EDBERO CCCC(=O)N[C@H]1CCCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000101564274 204010631 /nfs/dbraw/zinc/01/06/31/204010631.db2.gz UFOCRSYSWXVXLA-AWEZNQCLSA-N 1 0 348.403 1.574 10 5 EDBERO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000246135362 139096010 /nfs/dbraw/zinc/09/60/10/139096010.db2.gz JUTSUEBCTQGKJD-YPMHNXCESA-N 1 0 341.433 1.910 10 5 EDBERO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000160684897 206308115 /nfs/dbraw/zinc/30/81/15/206308115.db2.gz HQJZLPQBNWDFET-ZDUSSCGKSA-N 1 0 346.387 1.653 10 5 EDBERO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H](C)C[C@H]1C[NH3+] ZINC000261618967 139211675 /nfs/dbraw/zinc/21/16/75/139211675.db2.gz BYGZVBJRDQKWIM-JQWIXIFHSA-N 1 0 343.405 1.351 10 5 EDBERO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261876737 139233307 /nfs/dbraw/zinc/23/33/07/139233307.db2.gz MAAZRYZQYBQJNK-ZDUSSCGKSA-N 1 0 343.405 1.351 10 5 EDBERO C[C@H]1C[N@H+](CCOc2ccccc2[N+](=O)[O-])C[C@@H]1N1CCOCC1 ZINC000177278129 207315076 /nfs/dbraw/zinc/31/50/76/207315076.db2.gz UDWBTWBBXRSFJH-HOCLYGCPSA-N 1 0 335.404 1.626 10 5 EDBERO O=C(CN1CC[N@@H+]2CCCC[C@@H]2C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000177753571 207388554 /nfs/dbraw/zinc/38/85/54/207388554.db2.gz GMGRYRMLADNLHK-MRXNPFEDSA-N 1 0 344.415 1.654 10 5 EDBERO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000113268351 441595305 /nfs/dbraw/zinc/59/53/05/441595305.db2.gz HIGBCIZZFHLJRB-TZMCWYRMSA-N 1 0 348.403 1.710 10 5 EDBERO C[NH+](C)C[C@@H]1CN(C(=O)CCOc2ccccc2[N+](=O)[O-])CCO1 ZINC000116793267 441848040 /nfs/dbraw/zinc/84/80/40/441848040.db2.gz WIFDNWMFFWAMJV-CYBMUJFWSA-N 1 0 337.376 1.153 10 5 EDBERO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000160689194 441909050 /nfs/dbraw/zinc/90/90/50/441909050.db2.gz QYZQQYWUXZXYOR-GFCCVEGCSA-N 1 0 347.375 1.048 10 5 EDBERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000176994945 442282185 /nfs/dbraw/zinc/28/21/85/442282185.db2.gz LPXDHJFUSSTXJR-AWEZNQCLSA-N 1 0 349.387 1.938 10 5 EDBERO COc1ccc(S(=O)(=O)N2CC[N@@H+]3CCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000171771134 442380141 /nfs/dbraw/zinc/38/01/41/442380141.db2.gz VRFXYWGJUAXNJS-LLVKDONJSA-N 1 0 341.389 1.072 10 5 EDBERO O=Cc1ccc(OCC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000171922374 442390886 /nfs/dbraw/zinc/39/08/86/442390886.db2.gz MSJAXDGAEPLIHJ-AWEZNQCLSA-N 1 0 347.371 1.483 10 5 EDBERO Cc1cc(S(=O)(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000172021586 442400587 /nfs/dbraw/zinc/40/05/87/442400587.db2.gz JJHKULKRDFVANN-STQMWFEESA-N 1 0 339.417 1.760 10 5 EDBERO C[C@H]1C(=O)NCCCN1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000189324628 442921315 /nfs/dbraw/zinc/92/13/15/442921315.db2.gz ASPAACOJJZVRBS-JTQLQIEISA-N 1 0 338.339 1.273 10 5 EDBERO C[N@@H+](Cc1cccnc1)C[C@@H]1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000190670889 443161475 /nfs/dbraw/zinc/16/14/75/443161475.db2.gz YAEHXWVLGKMRSQ-ZDUSSCGKSA-N 1 0 344.375 1.307 10 5 EDBERO O=C1CC[C@H](C[NH2+]Cc2ccc(Br)c([N+](=O)[O-])c2)N1 ZINC000079929167 539481226 /nfs/dbraw/zinc/48/12/26/539481226.db2.gz VKGBHRFEIIBQKM-SECBINFHSA-N 1 0 328.166 1.726 10 5 EDBERO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000105884354 204176369 /nfs/dbraw/zinc/17/63/69/204176369.db2.gz VITGEUPSHXDWDO-CQSZACIVSA-N 1 0 331.376 1.977 10 5 EDBERO C[NH+](C)C[C@H]1CN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CCO1 ZINC000105925564 204180510 /nfs/dbraw/zinc/18/05/10/204180510.db2.gz OGEZUSCMNDEDTA-AWEZNQCLSA-N 1 0 347.375 1.407 10 5 EDBERO COc1cc(OCC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000195338796 139014908 /nfs/dbraw/zinc/01/49/08/139014908.db2.gz SJWSIJWJEZPKEE-GFCCVEGCSA-N 1 0 335.360 1.289 10 5 EDBERO [NH3+][C@H]1CCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000158051414 205288073 /nfs/dbraw/zinc/28/80/73/205288073.db2.gz OQPFXXCLTQTTFQ-JTQLQIEISA-N 1 0 342.193 1.850 10 5 EDBERO Cc1ccc(NC(=O)C(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)cc1[N+](=O)[O-] ZINC000249199446 139189013 /nfs/dbraw/zinc/18/90/13/139189013.db2.gz QPASQACPEPSRJJ-OCCSQVGLSA-N 1 0 346.387 1.537 10 5 EDBERO Cc1c(F)cc(S(=O)(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1[N+](=O)[O-] ZINC000249513217 139194676 /nfs/dbraw/zinc/19/46/76/139194676.db2.gz IOKYRSPMEBFXEZ-XHVZSJERSA-N 1 0 343.380 1.400 10 5 EDBERO CN(C(=O)CN1CC[N@@H+]2CCCC[C@@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000177758731 207391427 /nfs/dbraw/zinc/39/14/27/207391427.db2.gz OZHRXHMDLJNGLN-MRXNPFEDSA-N 1 0 332.404 1.728 10 5 EDBERO COc1cc(C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000247406606 286199364 /nfs/dbraw/zinc/19/93/64/286199364.db2.gz PVEZYOJFPTYIMF-RYUDHWBXSA-N 1 0 349.387 1.921 10 5 EDBERO COc1ccc(S(=O)(=O)N[C@H]2CCC[C@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC000237327080 286352543 /nfs/dbraw/zinc/35/25/43/286352543.db2.gz YBFAQVKTBVXRIF-ONGXEEELSA-N 1 0 329.378 1.009 10 5 EDBERO Cc1cc(Br)c(NC(=O)[C@]2([NH3+])CCOC2)cc1[N+](=O)[O-] ZINC000169235076 226234736 /nfs/dbraw/zinc/23/47/36/226234736.db2.gz AAQUULZVGPVGPN-LBPRGKRZSA-N 1 0 344.165 1.722 10 5 EDBERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000113305199 297096766 /nfs/dbraw/zinc/09/67/66/297096766.db2.gz RYUKHZRNBRSELH-GHMZBOCLSA-N 1 0 343.380 1.591 10 5 EDBERO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000113599835 441617457 /nfs/dbraw/zinc/61/74/57/441617457.db2.gz HKISJNLFRSDMBU-IUODEOHRSA-N 1 0 348.403 1.982 10 5 EDBERO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCC[C@H](Cn3cncn3)C2)c1 ZINC000137057277 441743951 /nfs/dbraw/zinc/74/39/51/441743951.db2.gz KESAYPNSCBUEME-BBRMVZONSA-N 1 0 331.376 1.632 10 5 EDBERO C[C@@H](O)C[N@@H+]1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000120676542 442116089 /nfs/dbraw/zinc/11/60/89/442116089.db2.gz HYESYHXSUIVXMW-UONOGXRCSA-N 1 0 335.404 1.441 10 5 EDBERO CC[C@@H](NC(=O)NCC[N@H+](C)CCOC)c1cccc([N+](=O)[O-])c1 ZINC000176098763 442175529 /nfs/dbraw/zinc/17/55/29/442175529.db2.gz VCTOBRBINOGGPP-OAHLLOKOSA-N 1 0 338.408 1.923 10 5 EDBERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000176994933 442282371 /nfs/dbraw/zinc/28/23/71/442282371.db2.gz LPXDHJFUSSTXJR-CQSZACIVSA-N 1 0 349.387 1.938 10 5 EDBERO CC(C)C[C@H](C[NH+](C)C)NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000189141824 442885029 /nfs/dbraw/zinc/88/50/29/442885029.db2.gz AQOVNDLFFBZDJZ-GFCCVEGCSA-N 1 0 329.422 1.849 10 5 EDBERO CC(=O)N[C@@H]1CCC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000077169953 138251662 /nfs/dbraw/zinc/25/16/62/138251662.db2.gz VOOYJLKWJQTAOV-CYBMUJFWSA-N 1 0 334.376 1.524 10 5 EDBERO C[C@H]1C[NH2+]C[C@H](C)N1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000069133691 202268571 /nfs/dbraw/zinc/26/85/71/202268571.db2.gz ICXSEFCKZMGDHE-IUCAKERBSA-N 1 0 333.797 1.619 10 5 EDBERO C[C@@H]1C[NH2+]C[C@H](C)N1S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000069133654 202268626 /nfs/dbraw/zinc/26/86/26/202268626.db2.gz NWGPYQCPYCSMAW-DTORHVGOSA-N 1 0 333.797 1.619 10 5 EDBERO O=[N+]([O-])c1ccc2oc(S(=O)(=O)CC3CC[NH2+]CC3)nc2c1 ZINC000095092161 203712962 /nfs/dbraw/zinc/71/29/62/203712962.db2.gz COHCSKFLZIOXFL-UHFFFAOYSA-N 1 0 325.346 1.509 10 5 EDBERO C[NH+](C)C[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)CCO1 ZINC000128061309 205131212 /nfs/dbraw/zinc/13/12/12/205131212.db2.gz DGFCCYPYUPUBOQ-CYBMUJFWSA-N 1 0 345.346 1.959 10 5 EDBERO CCOCC[N@@H+]1CCN(c2c([N+](=O)[O-])c(CC)nn2C)C[C@@H]1CC ZINC000245571683 139079945 /nfs/dbraw/zinc/07/99/45/139079945.db2.gz XSXRJZKYJLYZON-ZDUSSCGKSA-N 1 0 339.440 1.828 10 5 EDBERO NNc1cc(Oc2ccc(Br)cc2[N+](=O)[O-])nc(N)[nH+]1 ZINC000161104800 206328353 /nfs/dbraw/zinc/32/83/53/206328353.db2.gz KUIDGJHTHBRUNI-UHFFFAOYSA-N 1 0 341.125 1.807 10 5 EDBERO CCC[C@@H](C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)[NH+](C)C ZINC000162192180 206390361 /nfs/dbraw/zinc/39/03/61/206390361.db2.gz FDLDJGMVZDYRFQ-JSGCOSHPSA-N 1 0 335.408 1.733 10 5 EDBERO Cc1ccc(S(=O)(=O)N2CC[C@@H]([NH3+])C(C)(C)C2)cc1[N+](=O)[O-] ZINC000262566876 139287183 /nfs/dbraw/zinc/28/71/83/139287183.db2.gz WWOYYKNODSQVPX-CYBMUJFWSA-N 1 0 327.406 1.651 10 5 EDBERO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000262572234 139287459 /nfs/dbraw/zinc/28/74/59/139287459.db2.gz XNIUWXUNIUMUCL-CYBMUJFWSA-N 1 0 327.406 1.651 10 5 EDBERO CSc1ccc(-c2nc([C@@H]3C[NH2+]CCN3C)no2)cc1[N+](=O)[O-] ZINC000263132111 139324168 /nfs/dbraw/zinc/32/41/68/139324168.db2.gz BTXNJIQOGAFNHW-NSHDSACASA-N 1 0 335.389 1.943 10 5 EDBERO Cc1c(NC(=O)[C@H](C)[NH2+]C[C@@H]2CN(C)CCO2)cccc1[N+](=O)[O-] ZINC000112548883 441550771 /nfs/dbraw/zinc/55/07/71/441550771.db2.gz CVJDDJRVFRCDKF-QWHCGFSZSA-N 1 0 336.392 1.150 10 5 EDBERO O=[N+]([O-])c1ccc2sc(S(=O)(=O)CC3CC[NH2+]CC3)nc2c1 ZINC000095092217 441910174 /nfs/dbraw/zinc/91/01/74/441910174.db2.gz JIRRQTNHCHYNJL-UHFFFAOYSA-N 1 0 341.414 1.978 10 5 EDBERO Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@H]1CCC[N@H+]1CC(C)C ZINC000119501725 441937264 /nfs/dbraw/zinc/93/72/64/441937264.db2.gz NNZFDSJVSCUMAH-CQSZACIVSA-N 1 0 337.424 1.726 10 5 EDBERO CC[C@H]1CN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC[N@@H+]1C[C@@H](C)O ZINC000121076808 442174508 /nfs/dbraw/zinc/17/45/08/442174508.db2.gz SAXHBWYCPKVIHH-ZBFHGGJFSA-N 1 0 349.431 1.831 10 5 EDBERO CC[N@@H+]1CCC[C@H]1CN(C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182242908 442748934 /nfs/dbraw/zinc/74/89/34/442748934.db2.gz RPFIMHQVBWRCRU-GJZGRUSLSA-N 1 0 337.420 1.751 10 5 EDBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCCNC(=O)[C@H]1C ZINC000189263590 442908178 /nfs/dbraw/zinc/90/81/78/442908178.db2.gz WORMRIGCWBVRPE-GFCCVEGCSA-N 1 0 334.376 1.442 10 5 EDBERO CC[C@H]1CN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC[N@@H+]1C[C@H](C)O ZINC000246954620 536112918 /nfs/dbraw/zinc/11/29/18/536112918.db2.gz SKTGSYOCHJNIER-ZFWWWQNUSA-N 1 0 335.404 1.441 10 5 EDBERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CCn1nc(C)c([N+](=O)[O-])c1C ZINC000174995164 529405437 /nfs/dbraw/zinc/40/54/37/529405437.db2.gz GXLSJNDGDZXADY-HUUCEWRRSA-N 1 0 349.435 1.883 10 5 EDBERO C[C@@H]([NH3+])CCNC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000178646493 296018141 /nfs/dbraw/zinc/01/81/41/296018141.db2.gz KUQCIRKZKHDLBS-MRVPVSSYSA-N 1 0 330.182 1.753 10 5 EDBERO COc1c(F)cc(S(=O)(=O)N2CCCC[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000193246410 138964527 /nfs/dbraw/zinc/96/45/27/138964527.db2.gz ZOLFNDCECTXPDC-VIFPVBQESA-N 1 0 347.368 1.244 10 5 EDBERO C[C@H]([NH2+][C@H]1CCc2ncnn2C1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000105870968 204173906 /nfs/dbraw/zinc/17/39/06/204173906.db2.gz BVMKSYAETUURAN-JQWIXIFHSA-N 1 0 330.348 1.118 10 5 EDBERO O=C(Nc1ccc([N+](=O)[O-])cc1Br)[C@@H]1C[NH2+]CCO1 ZINC000043709019 204288717 /nfs/dbraw/zinc/28/87/17/204288717.db2.gz LSVQXKBGDLUSFO-JTQLQIEISA-N 1 0 330.138 1.284 10 5 EDBERO CN(Cc1cccnc1)C[C@H]1CC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000195296608 139012973 /nfs/dbraw/zinc/01/29/73/139012973.db2.gz BOKXCWMRSYSEGW-MRXNPFEDSA-N 1 0 344.419 1.640 10 5 EDBERO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000238013151 139066489 /nfs/dbraw/zinc/06/64/89/139066489.db2.gz KFALRXBXSKLTKQ-FZMZJTMJSA-N 1 0 329.360 1.638 10 5 EDBERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000246814202 139122634 /nfs/dbraw/zinc/12/26/34/139122634.db2.gz CFWIRVAWLAFKON-DOMZBBRYSA-N 1 0 346.387 1.020 10 5 EDBERO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000160685035 206307967 /nfs/dbraw/zinc/30/79/67/206307967.db2.gz HQJZLPQBNWDFET-CYBMUJFWSA-N 1 0 346.387 1.653 10 5 EDBERO CC(C)[N@H+]1C[C@H](NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000161324194 206342305 /nfs/dbraw/zinc/34/23/05/206342305.db2.gz HESAZOADEOGWPT-HZMBPMFUSA-N 1 0 336.348 1.962 10 5 EDBERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)CN(C)c2ccccc2[N+](=O)[O-])C1 ZINC000247466692 139149468 /nfs/dbraw/zinc/14/94/68/139149468.db2.gz UVRPAJPTIKPLIP-UONOGXRCSA-N 1 0 334.420 1.876 10 5 EDBERO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2CCC[C@H]2C[NH3+])cc1C ZINC000237667154 278744400 /nfs/dbraw/zinc/74/44/00/278744400.db2.gz VDOFZOMEVPKDOX-NWDGAFQWSA-N 1 0 327.406 1.617 10 5 EDBERO C[NH+](C)C[C@H]1CN(c2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])CCO1 ZINC000108951830 441482624 /nfs/dbraw/zinc/48/26/24/441482624.db2.gz FRVCHDWNZHCHHU-AWEZNQCLSA-N 1 0 348.403 1.254 10 5 EDBERO Cc1nn(CCC(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000113229926 441590839 /nfs/dbraw/zinc/59/08/39/441590839.db2.gz YXQNVIRGHMZJET-FZMZJTMJSA-N 1 0 335.408 1.493 10 5 EDBERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000113305799 441602012 /nfs/dbraw/zinc/60/20/12/441602012.db2.gz WPWPCXKNYFDCLS-WDEREUQCSA-N 1 0 343.380 1.591 10 5 EDBERO Cc1c(C(=O)N2CC[C@@H]([NH+](C)C)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000170864002 442278211 /nfs/dbraw/zinc/27/82/11/442278211.db2.gz NARYMFIHUNQCDX-LLVKDONJSA-N 1 0 336.348 1.896 10 5 EDBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCCNC(=O)[C@H]1C ZINC000189327008 442922054 /nfs/dbraw/zinc/92/20/54/442922054.db2.gz XUVRBJYGFLYDQQ-GFCCVEGCSA-N 1 0 334.376 1.442 10 5 EDBERO CC[C@H](O)C[NH+]1CCN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC1 ZINC000255188337 443089129 /nfs/dbraw/zinc/08/91/29/443089129.db2.gz OACXCTADQSQTBQ-SBSDFTTDSA-N 1 0 333.388 1.523 10 5 EDBERO C[C@@H]1C[NH2+]CCN1C(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000054369523 214234574 /nfs/dbraw/zinc/23/45/74/214234574.db2.gz PAJVQRUIOHGDNE-MRVPVSSYSA-N 1 0 328.166 1.791 10 5 EDBERO O=[N+]([O-])c1cc(C[NH2+]C[C@H]2COCCO2)ccc1Br ZINC000037998135 202079966 /nfs/dbraw/zinc/07/99/66/202079966.db2.gz LBTIYUMTWOJGLV-JTQLQIEISA-N 1 0 331.166 1.862 10 5 EDBERO NC(=O)[C@@]([NH3+])(COc1c(Cl)cc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000069198306 202272640 /nfs/dbraw/zinc/27/26/40/202272640.db2.gz AKIGJZORXGPYNN-GFCCVEGCSA-N 1 0 334.159 1.873 10 5 EDBERO [NH3+]Cc1nc(CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)cs1 ZINC000071697326 203103127 /nfs/dbraw/zinc/10/31/27/203103127.db2.gz HBZQZOMQCTZHOI-UHFFFAOYSA-N 1 0 336.329 1.420 10 5 EDBERO O=[N+]([O-])c1ccc2oc(S(=O)(=O)C[C@@H]3CCC[NH2+]C3)nc2c1 ZINC000095092157 203713189 /nfs/dbraw/zinc/71/31/89/203713189.db2.gz YKVXLDCHCAPZGJ-SECBINFHSA-N 1 0 325.346 1.509 10 5 EDBERO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCCN(c2cccnn2)CC1 ZINC000105800146 204159614 /nfs/dbraw/zinc/15/96/14/204159614.db2.gz LXWRDISTTZBHHL-UHFFFAOYSA-N 1 0 343.387 1.976 10 5 EDBERO C[NH+](C)C[C@H]1CN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)CCO1 ZINC000105925165 204180399 /nfs/dbraw/zinc/18/03/99/204180399.db2.gz IWTAYZSKTOZXCO-HNNXBMFYSA-N 1 0 337.376 1.224 10 5 EDBERO Cc1c(Cl)cc(S(=O)(=O)N[C@](C)(C[NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000237613737 139055738 /nfs/dbraw/zinc/05/57/38/139055738.db2.gz RZJZRNNSZMXNRF-CYBMUJFWSA-N 1 0 347.824 1.962 10 5 EDBERO C[NH+](C)C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)CCO1 ZINC000155426370 206005643 /nfs/dbraw/zinc/00/56/43/206005643.db2.gz XFIDHKDXLXOWJH-LBPRGKRZSA-N 1 0 344.371 1.546 10 5 EDBERO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000246190893 139098505 /nfs/dbraw/zinc/09/85/05/139098505.db2.gz NZCLSMWGEROMSK-OLZOCXBDSA-N 1 0 341.433 1.910 10 5 EDBERO COc1ccc(S(=O)(=O)N2CC[C@@H](C)C[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000261825766 139229477 /nfs/dbraw/zinc/22/94/77/139229477.db2.gz HSKWOKZULRGHMO-GHMZBOCLSA-N 1 0 343.405 1.351 10 5 EDBERO CN(Cc1nc([C@H]2C[NH2+]CCN2C)no1)c1ccccc1[N+](=O)[O-] ZINC000263205627 139328307 /nfs/dbraw/zinc/32/83/07/139328307.db2.gz JQHZPDZQYSGTLX-CYBMUJFWSA-N 1 0 332.364 1.190 10 5 EDBERO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CCCC[C@H]1C[NH3+] ZINC000237662813 291993153 /nfs/dbraw/zinc/99/31/53/291993153.db2.gz PSXYCQVQACQZDK-LBPRGKRZSA-N 1 0 327.406 1.714 10 5 EDBERO COc1ccc(NC(=O)CN2CC[N@@H+]3CCCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000172800992 442545040 /nfs/dbraw/zinc/54/50/40/442545040.db2.gz JOOSXURSJXFIES-CYBMUJFWSA-N 1 0 348.403 1.712 10 5 EDBERO [NH3+][C@@H]1CCC[C@H](C(=O)N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)C1 ZINC000246697761 442804887 /nfs/dbraw/zinc/80/48/87/442804887.db2.gz VZLHHRUBAMDNRV-XQQFMLRXSA-N 1 0 333.392 1.520 10 5 EDBERO C[NH+](C)[C@@H]1CCN(C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000182739036 442816526 /nfs/dbraw/zinc/81/65/26/442816526.db2.gz HDJMBZAYWOZVLM-SNVBAGLBSA-N 1 0 340.767 1.349 10 5 EDBERO CC(C)(C)OC[C@@H](O)C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000246936109 442822713 /nfs/dbraw/zinc/82/27/13/442822713.db2.gz TYWZRFOBYZOEML-OCCSQVGLSA-N 1 0 338.408 1.652 10 5 EDBERO CC[C@@H]1CN(Cc2ccc(OC)c([N+](=O)[O-])c2)CC[N@@H+]1C[C@H](C)O ZINC000247015430 442828088 /nfs/dbraw/zinc/82/80/88/442828088.db2.gz CKARIJXJJSKXAQ-DZGCQCFKSA-N 1 0 337.420 1.880 10 5 EDBERO CCOC(=O)c1cc(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)cc([N+](=O)[O-])c1 ZINC000195312398 535675228 /nfs/dbraw/zinc/67/52/28/535675228.db2.gz CXQZYEUTJKVMED-AWEZNQCLSA-N 1 0 347.371 1.692 10 5 EDBERO COC(=O)c1cc(N[C@@H](C)CN2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000078543422 536568742 /nfs/dbraw/zinc/56/87/42/536568742.db2.gz GIGCUZFVJHQNSC-LBPRGKRZSA-N 1 0 336.392 1.429 10 5 EDBERO CC[C@@H]1CN(Cn2ncc3cc([N+](=O)[O-])ccc32)CC[N@@H+]1CCOC ZINC000117324815 595629312 /nfs/dbraw/zinc/62/93/12/595629312.db2.gz MCWAGKHPCOOJGN-OAHLLOKOSA-N 1 0 347.419 1.945 10 5 EDBERO [NH3+][C@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000038050110 202094281 /nfs/dbraw/zinc/09/42/81/202094281.db2.gz YBDFKHHIQAPZQC-QWRGUYRKSA-N 1 0 333.797 1.796 10 5 EDBERO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)Cc3c[nH]c4ccc([N+](=O)[O-])cc34)C[C@@H]12 ZINC000186907539 236060731 /nfs/dbraw/zinc/06/07/31/236060731.db2.gz CNOLHDRPXHAJPH-VCTAVGKDSA-N 1 0 328.372 1.814 10 5 EDBERO C[C@@H]1C[NH2+]C[C@H](C)N1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000069133690 202269286 /nfs/dbraw/zinc/26/92/86/202269286.db2.gz ICXSEFCKZMGDHE-DTORHVGOSA-N 1 0 333.797 1.619 10 5 EDBERO CN(C(=O)c1cc([N+](=O)[O-])ccc1Br)[C@H]1CC[NH2+]C1 ZINC000071309920 202345107 /nfs/dbraw/zinc/34/51/07/202345107.db2.gz RDBHKSAVAYOMDS-VIFPVBQESA-N 1 0 328.166 1.791 10 5 EDBERO O=[N+]([O-])c1ccc2nc(S(=O)(=O)C[C@@H]3CCC[NH2+]C3)cnc2c1 ZINC000095092269 203713450 /nfs/dbraw/zinc/71/34/50/203713450.db2.gz JDXKYZIUAJSZTC-SNVBAGLBSA-N 1 0 336.373 1.311 10 5 EDBERO O=c1ccc([N+](=O)[O-])cn1CC[NH+]1CCC(Nc2cccnn2)CC1 ZINC000131797226 205303212 /nfs/dbraw/zinc/30/32/12/205303212.db2.gz RGULNKFYWDVGCP-UHFFFAOYSA-N 1 0 344.375 1.123 10 5 EDBERO Cc1cc(S(=O)(=O)NCC[C@@H]2CCC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000237787855 139060321 /nfs/dbraw/zinc/06/03/21/139060321.db2.gz VEDHCPYTXNHJEY-LBPRGKRZSA-N 1 0 327.406 1.571 10 5 EDBERO [NH3+][C@@H]1CC[C@H]2CN(C(=O)C(F)(F)c3ccc([N+](=O)[O-])cc3)C[C@H]12 ZINC000262378874 139274459 /nfs/dbraw/zinc/27/44/59/139274459.db2.gz NWHBVNCQRYOXQP-TVYUQYBPSA-N 1 0 325.315 1.882 10 5 EDBERO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000176436072 207227980 /nfs/dbraw/zinc/22/79/80/207227980.db2.gz NVPLIDASUUZJCL-NSHDSACASA-N 1 0 341.433 1.821 10 5 EDBERO COCC[NH2+]CC(=O)Nc1cc([N+](=O)[O-])c(C)cc1Br ZINC000169225015 533019111 /nfs/dbraw/zinc/01/91/11/533019111.db2.gz BICXVSBMAHGQSV-UHFFFAOYSA-N 1 0 346.181 1.840 10 5 EDBERO [NH3+]C[C@@H]1CCCCN1S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000237862113 303396109 /nfs/dbraw/zinc/39/61/09/303396109.db2.gz JKPOSLDBXATMJV-VIFPVBQESA-N 1 0 333.797 1.750 10 5 EDBERO Cn1cc([C@H]2CC[N@H+](Cc3ccc(C(N)=O)cc3[N+](=O)[O-])C2)cn1 ZINC000116318098 441811869 /nfs/dbraw/zinc/81/18/69/441811869.db2.gz JXOVQLVQSBJPGS-LBPRGKRZSA-N 1 0 329.360 1.417 10 5 EDBERO Cn1cc([C@@H]2CC[N@H+](C[C@H](O)COc3cccc([N+](=O)[O-])c3)C2)cn1 ZINC000116323300 441813681 /nfs/dbraw/zinc/81/36/81/441813681.db2.gz FFLSGFRVKJXOPJ-CJNGLKHVSA-N 1 0 346.387 1.558 10 5 EDBERO COc1ccc(OCC[N@@H+]2CCC[C@@H](n3cncn3)C2)c([N+](=O)[O-])c1 ZINC000173652050 441815054 /nfs/dbraw/zinc/81/50/54/441815054.db2.gz OVJDUMAQRRVIJR-CYBMUJFWSA-N 1 0 347.375 1.911 10 5 EDBERO COc1cc(C(=O)N2CCO[C@H](C[NH+](C)C)C2)cc([N+](=O)[O-])c1C ZINC000191870896 442528915 /nfs/dbraw/zinc/52/89/15/442528915.db2.gz UDKNNKQSVNKWOO-CYBMUJFWSA-N 1 0 337.376 1.314 10 5 EDBERO [NH3+][C@H]1CCN(c2ccc(I)cc2[N+](=O)[O-])C1 ZINC000203527655 486245821 /nfs/dbraw/zinc/24/58/21/486245821.db2.gz GLMUKCATCFCYDO-QMMMGPOBSA-N 1 0 333.129 1.737 10 5 EDBERO CC[NH2+]Cc1nnnn1-c1cc([N+](=O)[O-])c(C)cc1Br ZINC000169259502 528360188 /nfs/dbraw/zinc/36/01/88/528360188.db2.gz AFZWVJNUBDXBAM-UHFFFAOYSA-N 1 0 341.169 1.751 10 5 EDBERO CNS(=O)(=O)c1ccc(NCC[C@@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000261723256 536319945 /nfs/dbraw/zinc/31/99/45/536319945.db2.gz MCPLQRCMUKLZFB-NSHDSACASA-N 1 0 342.421 1.305 10 5 EDBERO O=C(COc1c(Cl)cc([N+](=O)[O-])cc1Cl)N1CC[NH2+]CC1 ZINC000050440434 214056993 /nfs/dbraw/zinc/05/69/93/214056993.db2.gz UQTIBMRBBPCYNK-UHFFFAOYSA-N 1 0 334.159 1.712 10 5 EDBERO [NH3+]C[C@@H](O)COc1c(Br)cc(Cl)cc1[N+](=O)[O-] ZINC000037288587 213139269 /nfs/dbraw/zinc/13/92/69/213139269.db2.gz LGCBMDQQPRMHHV-ZCFIWIBFSA-N 1 0 325.546 1.709 10 5 EDBERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000245432544 139074501 /nfs/dbraw/zinc/07/45/01/139074501.db2.gz OPFNUFIQWAMTLR-PVAVHDDUSA-N 1 0 349.431 1.893 10 5 EDBERO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H](n3cncn3)C2)c1 ZINC000247157539 139138049 /nfs/dbraw/zinc/13/80/49/139138049.db2.gz LZFHJGJTYMZTFM-CABCVRRESA-N 1 0 347.375 1.263 10 5 EDBERO [NH3+]C[C@@H]1CCC[C@@H]1NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000089092002 295256185 /nfs/dbraw/zinc/25/61/85/295256185.db2.gz CFBUUWDXUJWQSB-WPRPVWTQSA-N 1 0 333.797 1.654 10 5 EDBERO O=[N+]([O-])c1ccc2sc(S(=O)(=O)C[C@@H]3CCC[NH2+]3)nc2c1 ZINC000095092211 218280098 /nfs/dbraw/zinc/28/00/98/218280098.db2.gz UHKNTBAPGWCMFJ-QMMMGPOBSA-N 1 0 327.387 1.730 10 5 EDBERO CS(=O)(=O)c1cccc(N2CC[C@H]3CC[C@@H](C2)[NH2+]3)c1[N+](=O)[O-] ZINC000262077387 139249036 /nfs/dbraw/zinc/24/90/36/139249036.db2.gz GRMLLBFIQBWYMI-MNOVXSKESA-N 1 0 325.390 1.329 10 5 EDBERO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCC[C@H](n3cncn3)C2)c1 ZINC000171617998 227174560 /nfs/dbraw/zinc/17/45/60/227174560.db2.gz LZFHJGJTYMZTFM-GJZGRUSLSA-N 1 0 347.375 1.263 10 5 EDBERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000113305201 300316308 /nfs/dbraw/zinc/31/63/08/300316308.db2.gz RYUKHZRNBRSELH-WDEREUQCSA-N 1 0 343.380 1.591 10 5 EDBERO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000247252442 302046470 /nfs/dbraw/zinc/04/64/70/302046470.db2.gz NPKSJDBPLDSAIY-OLZOCXBDSA-N 1 0 339.417 1.760 10 5 EDBERO Cc1c(NC(=O)[C@@H](C)[NH2+][C@H]2CCc3ncnn3C2)cccc1[N+](=O)[O-] ZINC000105871634 441301651 /nfs/dbraw/zinc/30/16/51/441301651.db2.gz DMTUFDJWCRUKRV-NEPJUHHUSA-N 1 0 344.375 1.426 10 5 EDBERO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000179342645 442626259 /nfs/dbraw/zinc/62/62/59/442626259.db2.gz DIQQWPDTQLKJMK-AWEZNQCLSA-N 1 0 328.372 1.925 10 5 EDBERO [NH3+][C@@H]1CCC[C@H]1NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000165872209 534715876 /nfs/dbraw/zinc/71/58/76/534715876.db2.gz FNLVQPXICXXKBI-GHMZBOCLSA-N 1 0 328.166 1.967 10 5 EDBERO CC(C)[NH+]1CCC(CNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000022999790 212341690 /nfs/dbraw/zinc/34/16/90/212341690.db2.gz LQRNOJYYMSJGJL-UHFFFAOYSA-N 1 0 341.433 1.994 10 5 EDBERO C[C@@H]1C[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@H]1N1CCOCC1 ZINC000246212457 139099498 /nfs/dbraw/zinc/09/94/98/139099498.db2.gz CKPLTFNLTYBSAL-XYPHTWIQSA-N 1 0 335.404 1.281 10 5 EDBERO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[N@@H+]2CCCC[C@H]2C1 ZINC000246179909 139098045 /nfs/dbraw/zinc/09/80/45/139098045.db2.gz KJUAIUMTYCYPQM-AWEZNQCLSA-N 1 0 348.403 1.712 10 5 EDBERO C[C@@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)s2)[C@@H](C)C[NH2+]1 ZINC000168438608 226214850 /nfs/dbraw/zinc/21/48/50/226214850.db2.gz YKWFIYZBIYRVJR-RQJHMYQMSA-N 1 0 339.826 1.681 10 5 EDBERO C[C@@H]1[NH2+]CCC[C@H]1NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000193455589 288856811 /nfs/dbraw/zinc/85/68/11/288856811.db2.gz CDRSIHNAEBBKML-WCBMZHEXSA-N 1 0 333.797 1.667 10 5 EDBERO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000113268353 441595586 /nfs/dbraw/zinc/59/55/86/441595586.db2.gz HIGBCIZZFHLJRB-GXTWGEPZSA-N 1 0 348.403 1.710 10 5 EDBERO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCCN(c3cccnn3)CC2)c1 ZINC000137038956 441742088 /nfs/dbraw/zinc/74/20/88/441742088.db2.gz GOAXBVYCONKAHK-MRXNPFEDSA-N 1 0 343.387 1.631 10 5 EDBERO CC(C)[N@@H+]1C[C@H](C)[C@H](NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000246953810 442824607 /nfs/dbraw/zinc/82/46/07/442824607.db2.gz ZWFYWZQEYKSQDY-SWLSCSKDSA-N 1 0 341.433 1.743 10 5 EDBERO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000247600523 442863219 /nfs/dbraw/zinc/86/32/19/442863219.db2.gz UIJKPLOOMQFWQN-JTQLQIEISA-N 1 0 345.808 1.717 10 5 EDBERO CNS(=O)(=O)c1ccc(NCC[C@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000261723252 536319977 /nfs/dbraw/zinc/31/99/77/536319977.db2.gz MCPLQRCMUKLZFB-LLVKDONJSA-N 1 0 342.421 1.305 10 5 EDBERO Cc1nn(CN2CCO[C@@H](C[NH+](C)C)C2)c2cc([N+](=O)[O-])ccc12 ZINC000121216829 596333757 /nfs/dbraw/zinc/33/37/57/596333757.db2.gz ADEWLGKKLVKVRJ-AWEZNQCLSA-N 1 0 333.392 1.473 10 5 EDBERO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000237752009 139059649 /nfs/dbraw/zinc/05/96/49/139059649.db2.gz FTERBNPASSBJSF-JTQLQIEISA-N 1 0 347.824 1.916 10 5 EDBERO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000247120473 139136515 /nfs/dbraw/zinc/13/65/15/139136515.db2.gz JASQQIKSUVIAFJ-YPMHNXCESA-N 1 0 339.417 1.760 10 5 EDBERO [NH3+]CCNC(=O)[C@@H]1CCCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000261967631 139240457 /nfs/dbraw/zinc/24/04/57/139240457.db2.gz YPDYOXSQLAWGSE-GFCCVEGCSA-N 1 0 340.811 1.535 10 5 EDBERO C[C@H](NC(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000262007146 139243291 /nfs/dbraw/zinc/24/32/91/139243291.db2.gz VFMSVWPXOYENOJ-XZJROXQQSA-N 1 0 343.387 1.509 10 5 EDBERO CC1(C)CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC[C@@H]1[NH3+] ZINC000262451135 139279962 /nfs/dbraw/zinc/27/99/62/139279962.db2.gz HTCXUJDNMVGYSY-LBPRGKRZSA-N 1 0 347.824 1.996 10 5 EDBERO C[NH2+][C@@H]1COC[C@@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1Br ZINC000159452255 532973918 /nfs/dbraw/zinc/97/39/18/532973918.db2.gz LZPSOTWUTACYRB-GZMMTYOYSA-N 1 0 344.165 1.530 10 5 EDBERO C[C@@H]1C[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@@H]1N1CCOCC1 ZINC000154423429 224251196 /nfs/dbraw/zinc/25/11/96/224251196.db2.gz CKPLTFNLTYBSAL-COXVUDFISA-N 1 0 335.404 1.281 10 5 EDBERO O=[N+]([O-])c1ccc(COC[C@H]2C[NH2+]CCO2)c(Br)c1 ZINC000163953681 226033219 /nfs/dbraw/zinc/03/32/19/226033219.db2.gz UIBOHBVTOYSFIH-LLVKDONJSA-N 1 0 331.166 1.862 10 5 EDBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCO[C@@H](C[NH+](C)C)C1 ZINC000173338103 280662261 /nfs/dbraw/zinc/66/22/61/280662261.db2.gz LZXWILOQDZPGFS-AWEZNQCLSA-N 1 0 336.392 1.104 10 5 EDBERO Cc1cnn(CC[NH2+][C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)c1 ZINC000109132867 441488829 /nfs/dbraw/zinc/48/88/29/441488829.db2.gz QCFBZEAVPSZOOB-OAHLLOKOSA-N 1 0 329.360 1.495 10 5 EDBERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000113233179 441591234 /nfs/dbraw/zinc/59/12/34/441591234.db2.gz ZADDZKWCPPHCFH-ZYHUDNBSSA-N 1 0 329.360 1.780 10 5 EDBERO O=C(CNc1ccc(Br)cc1[N+](=O)[O-])N1CC[NH2+]CC1 ZINC000037716318 441613747 /nfs/dbraw/zinc/61/37/47/441613747.db2.gz AOJJRIQGRSPLMI-UHFFFAOYSA-N 1 0 343.181 1.201 10 5 EDBERO C[NH+](C)[C@H]1CCN(C(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000170844970 442274140 /nfs/dbraw/zinc/27/41/40/442274140.db2.gz XMWSIAPNHASSBA-JTQLQIEISA-N 1 0 340.767 1.349 10 5 EDBERO C[NH+](C)C[C@@H]1CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CCO1 ZINC000135174049 442564867 /nfs/dbraw/zinc/56/48/67/442564867.db2.gz KAOLWUMZUVRVKG-CYBMUJFWSA-N 1 0 327.768 1.651 10 5 EDBERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000252443618 443023404 /nfs/dbraw/zinc/02/34/04/443023404.db2.gz DBLNRFAEAFREBN-OCCSQVGLSA-N 1 0 332.404 1.970 10 5 EDBERO CC[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N)CC[N@@H+]1C[C@@H](C)O ZINC000187868898 529281621 /nfs/dbraw/zinc/28/16/21/529281621.db2.gz BCCVIQAYFMEFNP-NEPJUHHUSA-N 1 0 336.392 1.094 10 5 EDBERO CCOC(=O)c1ccc(NC(=O)CC[N+]2(C)CCOCC2)cc1O ZINC000033867516 717122424 /nfs/dbraw/zinc/12/24/24/717122424.db2.gz LQTVXUSSJBMKMJ-UHFFFAOYSA-O 1 0 337.396 1.374 10 5 EDBERO CN(C)C(=O)CC[NH2+]Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000037751967 213165944 /nfs/dbraw/zinc/16/59/44/213165944.db2.gz JZINYSHZZLYCMF-UHFFFAOYSA-N 1 0 330.182 1.925 10 5 EDBERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000248725810 139173330 /nfs/dbraw/zinc/17/33/30/139173330.db2.gz JYVZBVJXJAWKAF-AAEUAGOBSA-N 1 0 325.390 1.452 10 5 EDBERO Cc1ccc(C)c(S(=O)(=O)N2CC[C@@H]([NH3+])C(C)(C)C2)c1[N+](=O)[O-] ZINC000261787372 292086864 /nfs/dbraw/zinc/08/68/64/292086864.db2.gz UNYMIKAASMDANG-GFCCVEGCSA-N 1 0 341.433 1.960 10 5 EDBERO Cc1c(Br)c(OC[C@H]2C[NH2+]CCO2)ncc1[N+](=O)[O-] ZINC000164066112 226041562 /nfs/dbraw/zinc/04/15/62/226041562.db2.gz ZPNDYEHRLQVUPP-MRVPVSSYSA-N 1 0 332.154 1.428 10 5 EDBERO Cc1ccc(S(=O)(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000171771125 227273033 /nfs/dbraw/zinc/27/30/33/227273033.db2.gz UHCUWEKWUNBREW-GFCCVEGCSA-N 1 0 325.390 1.372 10 5 EDBERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000173726518 288313389 /nfs/dbraw/zinc/31/33/89/288313389.db2.gz ITMSGBXWJKHGSX-QWHCGFSZSA-N 1 0 339.417 1.842 10 5 EDBERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000247255675 300320534 /nfs/dbraw/zinc/32/05/34/300320534.db2.gz NTCJZRITWQNPRC-RYUDHWBXSA-N 1 0 325.390 1.452 10 5 EDBERO C[C@@H]([NH2+][C@H]1CCc2ncnn2C1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000105870575 441300048 /nfs/dbraw/zinc/30/00/48/441300048.db2.gz HFBKNKOYZPQEGQ-PWSUYJOCSA-N 1 0 330.348 1.118 10 5 EDBERO CC[N@@H+]1CCC[C@@H](NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000137953409 441782246 /nfs/dbraw/zinc/78/22/46/441782246.db2.gz HRKKYBJVPANSEE-CYBMUJFWSA-N 1 0 343.387 1.995 10 5 EDBERO C[NH+](C)[C@H]1CCN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1 ZINC000170866133 442279557 /nfs/dbraw/zinc/27/95/57/442279557.db2.gz WRIDTRLXPOMPDX-ZDUSSCGKSA-N 1 0 329.360 1.557 10 5 EDBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000177683316 442369861 /nfs/dbraw/zinc/36/98/61/442369861.db2.gz VMLHRHABYIKQTO-ZDUSSCGKSA-N 1 0 332.360 1.148 10 5 EDBERO CC(C)[NH2+]Cc1nnnn1-c1cc([N+](=O)[O-])ccc1Br ZINC000159522601 527734586 /nfs/dbraw/zinc/73/45/86/527734586.db2.gz STQSXEHNEGKDCN-UHFFFAOYSA-N 1 0 341.169 1.831 10 5 EDBERO CC(C)[N@H+]1C[C@H](NS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000174003777 529105505 /nfs/dbraw/zinc/10/55/05/529105505.db2.gz REUXXYYRYBKIBL-WFASDCNBSA-N 1 0 341.433 1.743 10 5 EDBERO Cc1cc(N2CCC[C@H]([NH2+]Cc3cccc([N+](=O)[O-])c3)C2=O)n(C)n1 ZINC000173852129 231051199 /nfs/dbraw/zinc/05/11/99/231051199.db2.gz OLLPEUXIXOCWKC-HNNXBMFYSA-N 1 0 343.387 1.922 10 5 EDBERO O=[N+]([O-])c1cc(Br)cnc1NCCN1CC[NH2+]CC1 ZINC000040713452 213372701 /nfs/dbraw/zinc/37/27/01/213372701.db2.gz IDZQCYVLPFYNMR-UHFFFAOYSA-N 1 0 330.186 1.069 10 5 EDBERO C[NH+](C)C[C@@H](NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)c1ccccc1 ZINC000186798609 236023247 /nfs/dbraw/zinc/02/32/47/236023247.db2.gz BRZPRCUXFLVBQM-CYBMUJFWSA-N 1 0 330.344 1.728 10 5 EDBERO C[C@H]1CCN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1[NH3+] ZINC000070146729 215677680 /nfs/dbraw/zinc/67/76/80/215677680.db2.gz KRDOXMKXHHDAAI-WPRPVWTQSA-N 1 0 333.797 1.606 10 5 EDBERO Cc1c(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000195316143 139013751 /nfs/dbraw/zinc/01/37/51/139013751.db2.gz KGYHYBNZAXIZOM-LLVKDONJSA-N 1 0 334.332 1.732 10 5 EDBERO C[C@@H]1C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@H]1N1CCOCC1 ZINC000246461617 139109545 /nfs/dbraw/zinc/10/95/45/139109545.db2.gz NMLHBVKRIIHYNJ-RHSMWYFYSA-N 1 0 335.404 1.626 10 5 EDBERO CCOc1ccc(-c2nc([C@@H]3C[NH2+]CCN3C)no2)cc1[N+](=O)[O-] ZINC000263224767 139329300 /nfs/dbraw/zinc/32/93/00/139329300.db2.gz MQCRWLZYSHWDQJ-LBPRGKRZSA-N 1 0 333.348 1.620 10 5 EDBERO O=C(C[C@@H]1COCC[NH2+]1)Nc1cc([N+](=O)[O-])ccc1Br ZINC000159445529 225218043 /nfs/dbraw/zinc/21/80/43/225218043.db2.gz SJYGNWJNHSOITE-MRVPVSSYSA-N 1 0 344.165 1.674 10 5 EDBERO O=C(c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171867229 227325159 /nfs/dbraw/zinc/32/51/59/227325159.db2.gz DULVSSXQCBZXIS-GFCCVEGCSA-N 1 0 342.355 1.357 10 5 EDBERO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2CCC[C@H]2C[NH3+])cc1C ZINC000237667300 280655576 /nfs/dbraw/zinc/65/55/76/280655576.db2.gz VDOFZOMEVPKDOX-RYUDHWBXSA-N 1 0 327.406 1.617 10 5 EDBERO C[NH+](C)C[C@@H]1CN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CCO1 ZINC000116790572 441847269 /nfs/dbraw/zinc/84/72/69/441847269.db2.gz YMHRVWLYCXLPQQ-CQSZACIVSA-N 1 0 348.403 1.572 10 5 EDBERO C[NH+](C)C[C@H]1CN(C(=O)CCOc2ccccc2[N+](=O)[O-])CCO1 ZINC000116793269 441848642 /nfs/dbraw/zinc/84/86/42/441848642.db2.gz WIFDNWMFFWAMJV-ZDUSSCGKSA-N 1 0 337.376 1.153 10 5 EDBERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000177025007 442287226 /nfs/dbraw/zinc/28/72/26/442287226.db2.gz WOWCNUKKDMLOJZ-CQSZACIVSA-N 1 0 334.420 1.974 10 5 EDBERO C[C@@H]([NH3+])[C@@H]1CN(c2ccc(Br)cc2[N+](=O)[O-])CCO1 ZINC000131227216 442368018 /nfs/dbraw/zinc/36/80/18/442368018.db2.gz YIYUDGYSEFCQOL-PELKAZGASA-N 1 0 330.182 1.910 10 5 EDBERO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC000090552743 138279628 /nfs/dbraw/zinc/27/96/28/138279628.db2.gz VITLGVLCLKDSMA-OAHLLOKOSA-N 1 0 330.344 1.305 10 5 EDBERO Cc1nccn1C[C@H]1CCC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000132455528 223332160 /nfs/dbraw/zinc/33/21/60/223332160.db2.gz NQRLEDBYHWLQRB-CQSZACIVSA-N 1 0 331.376 1.426 10 5 EDBERO CCC[C@H]([NH3+])C(=O)NCCc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000195140139 139007715 /nfs/dbraw/zinc/00/77/15/139007715.db2.gz GXRVMXFZKAFMBP-NSHDSACASA-N 1 0 325.365 1.398 10 5 EDBERO C[C@H]1CN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C[C@@H]1[NH3+] ZINC000235646216 139026140 /nfs/dbraw/zinc/02/61/40/139026140.db2.gz POGSEYDTFLRWLL-CPCISQLKSA-N 1 0 328.166 1.777 10 5 EDBERO Cn1cc(C(=O)N[C@H]2CCC[C@H]2C[NH3+])c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237888576 139062864 /nfs/dbraw/zinc/06/28/64/139062864.db2.gz VXEIOUJBYALZGR-WFASDCNBSA-N 1 0 343.387 1.853 10 5 EDBERO CCOc1ccc([N+](=O)[O-])cc1CN1CC[N@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000245467777 139076286 /nfs/dbraw/zinc/07/62/86/139076286.db2.gz KDCYYMYRCRSBOD-UONOGXRCSA-N 1 0 337.420 1.880 10 5 EDBERO C[C@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@H]1N1CCOCC1 ZINC000246452702 139109043 /nfs/dbraw/zinc/10/90/43/139109043.db2.gz MVIPHFJUDPTBTO-SWLSCSKDSA-N 1 0 346.387 1.889 10 5 EDBERO CCOC(=O)c1ccnc(N2C[C@H]3CCC[N@@H+]3C[C@H]2C)c1[N+](=O)[O-] ZINC000246649645 139116493 /nfs/dbraw/zinc/11/64/93/139116493.db2.gz IVVOZTLLTIEFOQ-VXGBXAGGSA-N 1 0 334.376 1.839 10 5 EDBERO O=[N+]([O-])c1cccc(-c2noc(CN3CC[N@@H+]4CCC[C@H]4C3)n2)c1 ZINC000247079253 139134825 /nfs/dbraw/zinc/13/48/25/139134825.db2.gz GWWYZPWIRKHXLJ-AWEZNQCLSA-N 1 0 329.360 1.925 10 5 EDBERO O=[N+]([O-])c1cnc(C(F)(F)F)cc1N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000261730414 285170599 /nfs/dbraw/zinc/17/05/99/285170599.db2.gz RQBDJFVZWVJBLQ-JTQLQIEISA-N 1 0 345.325 1.493 10 5 EDBERO Cc1cc(C)c(S(=O)(=O)N2CC[C@@H]([NH3+])C(C)(C)C2)cc1[N+](=O)[O-] ZINC000261897956 278664211 /nfs/dbraw/zinc/66/42/11/278664211.db2.gz WFUZRIZGNJKFCA-CQSZACIVSA-N 1 0 341.433 1.960 10 5 EDBERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000113226577 441589810 /nfs/dbraw/zinc/58/98/10/441589810.db2.gz DBLNRFAEAFREBN-GXTWGEPZSA-N 1 0 332.404 1.970 10 5 EDBERO CC[C@@H]1CN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CC[N@@H+]1CCOC ZINC000137042600 441741896 /nfs/dbraw/zinc/74/18/96/441741896.db2.gz KGNCJGUYEPGLAG-WBVHZDCISA-N 1 0 337.420 1.671 10 5 EDBERO Cc1c(NC(=O)NC[C@@H](O)C[NH+]2CCCCC2)cccc1[N+](=O)[O-] ZINC000043346183 441836584 /nfs/dbraw/zinc/83/65/84/441836584.db2.gz MWPBZJYEASHVRJ-CYBMUJFWSA-N 1 0 336.392 1.872 10 5 EDBERO O=C(CCN1CC[N@@H+]2CCC[C@@H]2C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000188971322 442852298 /nfs/dbraw/zinc/85/22/98/442852298.db2.gz SDJGRWZIYLPGNC-CYBMUJFWSA-N 1 0 336.367 1.843 10 5 EDBERO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000184795312 443077816 /nfs/dbraw/zinc/07/78/16/443077816.db2.gz IHQYGXHFKKTGKL-DOTOQJQBSA-N 1 0 349.431 1.953 10 5 EDBERO [NH3+]CCCNS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1Cl ZINC000166020750 534616310 /nfs/dbraw/zinc/61/63/10/534616310.db2.gz PAWCGZYGDPZNEG-UHFFFAOYSA-N 1 0 328.177 1.529 10 5 EDBERO COc1ccc(NC(=O)CCN2CC[N@@H+]3CCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000246782184 536760052 /nfs/dbraw/zinc/76/00/52/536760052.db2.gz ZKFZWSVAFVNOCH-ZDUSSCGKSA-N 1 0 348.403 1.712 10 5 EDBERO C[NH+](C)[C@@H]1CCN(Cn2nc(-c3cccc([N+](=O)[O-])c3)ccc2=O)C1 ZINC000170842699 697781987 /nfs/dbraw/zinc/78/19/87/697781987.db2.gz MLFODGCNDUQBFP-OAHLLOKOSA-N 1 0 343.387 1.412 10 5 EDBERO O=C(NC[C@H]1CCC[NH2+]1)c1cc([N+](=O)[O-])ccc1Br ZINC000053253085 214172986 /nfs/dbraw/zinc/17/29/86/214172986.db2.gz PRIXVODSQNXLPC-MRVPVSSYSA-N 1 0 328.166 1.839 10 5 EDBERO C[NH+](C)C[C@H]1CN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000116796290 282139247 /nfs/dbraw/zinc/13/92/47/282139247.db2.gz BCAPMWPTVZXWBG-NSHDSACASA-N 1 0 327.768 1.651 10 5 EDBERO CNS(=O)(=O)c1ccc(N2CC[C@H](C)C[C@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC000261843363 290791724 /nfs/dbraw/zinc/79/17/24/290791724.db2.gz IVZDODZVSQTTSE-QWRGUYRKSA-N 1 0 342.421 1.067 10 5 EDBERO CC(C)(C)NN=c1nc[nH]c(NCC[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000040622783 213359479 /nfs/dbraw/zinc/35/94/79/213359479.db2.gz KDMVEFOBTRDNAB-UHFFFAOYSA-N 1 0 337.428 1.998 10 5 EDBERO C[NH+]1CCC(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000037248208 213136425 /nfs/dbraw/zinc/13/64/25/213136425.db2.gz MUWALMAYNSJQEF-UHFFFAOYSA-N 1 0 333.797 1.621 10 5 EDBERO COc1cc(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)c([N+](=O)[O-])cc1OC ZINC000195309601 139013515 /nfs/dbraw/zinc/01/35/15/139013515.db2.gz QQKIRCMLUFQCAS-NSHDSACASA-N 1 0 335.360 1.532 10 5 EDBERO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@](C)(C[NH3+])C1CC1 ZINC000237191586 139043560 /nfs/dbraw/zinc/04/35/60/139043560.db2.gz SGFYRAIZRUASOU-ZDUSSCGKSA-N 1 0 329.378 1.009 10 5 EDBERO O=[N+]([O-])c1cccc(CS(=O)(=O)N2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000246829873 139123434 /nfs/dbraw/zinc/12/34/34/139123434.db2.gz UTDHPMJWNWCYGO-AWEZNQCLSA-N 1 0 325.390 1.205 10 5 EDBERO Cc1ccc(NC(=O)C(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2C)cc1[N+](=O)[O-] ZINC000249199449 139189081 /nfs/dbraw/zinc/18/90/81/139189081.db2.gz QPASQACPEPSRJJ-TZMCWYRMSA-N 1 0 346.387 1.537 10 5 EDBERO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261928258 139237838 /nfs/dbraw/zinc/23/78/38/139237838.db2.gz ZOXGQUHLVJEKQL-CQSZACIVSA-N 1 0 341.433 1.905 10 5 EDBERO C[C@H](Nc1cccc(S(C)(=O)=O)c1[N+](=O)[O-])[C@@H]1CCC[NH2+]C1 ZINC000262294806 139267471 /nfs/dbraw/zinc/26/74/71/139267471.db2.gz NREYVZUKCYICIL-WDEREUQCSA-N 1 0 327.406 1.798 10 5 EDBERO CN1CC[NH2+]C[C@H]1c1noc(-c2n[nH]c3ccc([N+](=O)[O-])cc32)n1 ZINC000263248397 139330855 /nfs/dbraw/zinc/33/08/55/139330855.db2.gz PNOQFRBRGYWQGV-NSHDSACASA-N 1 0 329.320 1.097 10 5 EDBERO COc1cccc(C(=O)NC[C@H](O)C[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000192793524 272986584 /nfs/dbraw/zinc/98/65/84/272986584.db2.gz GREJCWVIHWEDJA-LBPRGKRZSA-N 1 0 337.376 1.180 10 5 EDBERO C[C@H]1CCN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)[C@@H](C[NH3+])C1 ZINC000261869495 279712858 /nfs/dbraw/zinc/71/28/58/279712858.db2.gz SDYQIROCMWRTCP-SWLSCSKDSA-N 1 0 343.387 1.980 10 5 EDBERO Cc1ccc(C)c(S(=O)(=O)N[C@@H]2CCC[C@@H]2C[NH3+])c1[N+](=O)[O-] ZINC000193291248 301556176 /nfs/dbraw/zinc/55/61/76/301556176.db2.gz ORMVZFQTAVGMLQ-VXGBXAGGSA-N 1 0 327.406 1.617 10 5 EDBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000063483739 441332184 /nfs/dbraw/zinc/33/21/84/441332184.db2.gz LVKLDBFYHFVGJF-OAHLLOKOSA-N 1 0 348.403 1.784 10 5 EDBERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1 ZINC000174002499 441876887 /nfs/dbraw/zinc/87/68/87/441876887.db2.gz VDRCYOUPISGHDZ-PWSUYJOCSA-N 1 0 345.396 1.741 10 5 EDBERO CC[N@@H+]1CCC[C@@H]1CN(C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000177694185 442371771 /nfs/dbraw/zinc/37/17/71/442371771.db2.gz SRRXKWFESNRVGA-MRXNPFEDSA-N 1 0 346.431 1.900 10 5 EDBERO C[C@H](O)C[N@@H+]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@@H]1C ZINC000246540606 442791415 /nfs/dbraw/zinc/79/14/15/442791415.db2.gz SRJBMINLAYHEOX-RYUDHWBXSA-N 1 0 334.376 1.623 10 5 EDBERO C[C@@H](O)C[N@@H+]1CCN(C(=O)NCc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000185774320 443255040 /nfs/dbraw/zinc/25/50/40/443255040.db2.gz RFGGXVWWHYFOBI-CHWSQXEVSA-N 1 0 336.392 1.191 10 5 EDBERO CCC[NH2+]Cc1nnnn1-c1cc([N+](=O)[O-])ccc1Br ZINC000159522317 528518569 /nfs/dbraw/zinc/51/85/69/528518569.db2.gz IIFNHRGWFQYXOV-UHFFFAOYSA-N 1 0 341.169 1.833 10 5 EDBERO O=C(NCc1ccco1)c1cccc(C[N+]23CCN(CC2)CC3)c1 ZINC000055051083 717130494 /nfs/dbraw/zinc/13/04/94/717130494.db2.gz OXYBOXAOSWWAPT-UHFFFAOYSA-O 1 0 326.420 1.856 10 5 EDBERO CCOCC[N@@H+]1CCN(c2ccc3ncc([N+](=O)[O-])n3n2)C[C@H]1CC ZINC000123666094 138320369 /nfs/dbraw/zinc/32/03/69/138320369.db2.gz FTIHIZZFUJJFFR-CYBMUJFWSA-N 1 0 348.407 1.575 10 5 EDBERO [NH3+]C[C@H]1CCCCN1C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000131045032 283499438 /nfs/dbraw/zinc/49/94/38/283499438.db2.gz URIVUODICMYVEE-CQSZACIVSA-N 1 0 329.360 1.734 10 5 EDBERO C[C@@H](CC[NH+](C)C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000049559300 214018695 /nfs/dbraw/zinc/01/86/95/214018695.db2.gz SEFOMNGWFWDOPC-VIFPVBQESA-N 1 0 335.813 1.867 10 5 EDBERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000247547586 139151901 /nfs/dbraw/zinc/15/19/01/139151901.db2.gz ZADDZKWCPPHCFH-PWSUYJOCSA-N 1 0 329.360 1.780 10 5 EDBERO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171903479 533220250 /nfs/dbraw/zinc/22/02/50/533220250.db2.gz BNYZMPFUJRZAPR-CQSZACIVSA-N 1 0 334.376 1.593 10 5 EDBERO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC[C@@H]1C[NH3+] ZINC000237630182 279588606 /nfs/dbraw/zinc/58/86/06/279588606.db2.gz KLJDAAXPIWNFNN-GXSJLCMTSA-N 1 0 327.768 1.965 10 5 EDBERO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000247647584 280364982 /nfs/dbraw/zinc/36/49/82/280364982.db2.gz VQXJEBDQDQOQEA-NSHDSACASA-N 1 0 345.808 1.717 10 5 EDBERO Cc1cc(C)c(S(=O)(=O)N[C@@H]2CCC[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000193289358 280396143 /nfs/dbraw/zinc/39/61/43/280396143.db2.gz OAVKNDIJEKQFPS-VXGBXAGGSA-N 1 0 327.406 1.617 10 5 EDBERO COc1ccc(S(=O)(=O)N2CC[C@@H](C)C[C@@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC000261895658 295194661 /nfs/dbraw/zinc/19/46/61/295194661.db2.gz OJDCMWKXHMPTKH-GHMZBOCLSA-N 1 0 343.405 1.351 10 5 EDBERO C[N@@H+]1CCC[C@H](CNc2ccc([N+](=O)[O-])c(S(C)(=O)=O)c2)C1 ZINC000091482918 441706208 /nfs/dbraw/zinc/70/62/08/441706208.db2.gz ZQHOOMRIEWTPTN-LLVKDONJSA-N 1 0 327.406 1.752 10 5 EDBERO CC[N@H+](C)C[C@H]1CCN(c2ccc([N+](=O)[O-])c(S(C)(=O)=O)c2)C1 ZINC000125654901 442039316 /nfs/dbraw/zinc/03/93/16/442039316.db2.gz DAPUAOFBISCSQX-GFCCVEGCSA-N 1 0 341.433 1.776 10 5 EDBERO C[C@H]([NH3+])[C@H]1CN(c2ncc([N+](=O)[O-])cc2Br)CCO1 ZINC000132982195 442404506 /nfs/dbraw/zinc/40/45/06/442404506.db2.gz FMDFZZMZTQUGRZ-OIBJUYFYSA-N 1 0 331.170 1.305 10 5 EDBERO C[NH+](C)C[C@H](NC(=O)NCCn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000131909242 442383113 /nfs/dbraw/zinc/38/31/13/442383113.db2.gz CFZJSKMRKQICPF-HNNXBMFYSA-N 1 0 346.391 1.393 10 5 EDBERO CC(C)C[C@@H](C[NH+](C)C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000193882502 442805275 /nfs/dbraw/zinc/80/52/75/442805275.db2.gz ORGVOJDVCDCNRC-NSHDSACASA-N 1 0 347.412 1.989 10 5 EDBERO C[C@H](O)C[N@@H+]1CCN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000255536779 443101756 /nfs/dbraw/zinc/10/17/56/443101756.db2.gz ZCYQVBQWKMFAJL-GMOCCLDISA-N 1 0 333.388 1.522 10 5 EDBERO Cc1c(Br)c(NC[C@@H]2C[NH2+]CCCO2)ncc1[N+](=O)[O-] ZINC000390163359 447490692 /nfs/dbraw/zinc/49/06/92/447490692.db2.gz APOYBAGQDFABNM-VIFPVBQESA-N 1 0 345.197 1.851 10 5 EDBERO CCO[C@@H]1C[C@H]([NH3+])[C@@H]1Nc1ncc([N+](=O)[O-])c(C)c1Br ZINC000165831201 527905839 /nfs/dbraw/zinc/90/58/39/527905839.db2.gz RKETWLDIHVNHDJ-NMLBEHRDSA-N 1 0 345.197 1.977 10 5 EDBERO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000247066325 536953229 /nfs/dbraw/zinc/95/32/29/536953229.db2.gz HKISJNLFRSDMBU-WFASDCNBSA-N 1 0 348.403 1.982 10 5 EDBERO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CCC[NH2+][C@@H]1C ZINC000189318657 536956888 /nfs/dbraw/zinc/95/68/88/536956888.db2.gz FZWWXQOTGWOAIA-KOLCDFICSA-N 1 0 329.378 1.022 10 5 EDBERO [NH3+]C[C@@H]1CCC[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000089091721 283482020 /nfs/dbraw/zinc/48/20/20/283482020.db2.gz CMTFKWXGQHRIES-GZMMTYOYSA-N 1 0 333.797 1.654 10 5 EDBERO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000247489114 139150376 /nfs/dbraw/zinc/15/03/76/139150376.db2.gz LHUHEROEOXRRET-ZDUSSCGKSA-N 1 0 325.390 1.372 10 5 EDBERO O=[N+]([O-])c1cc(I)ccc1N1CCC[NH2+]CC1 ZINC000097333625 285096643 /nfs/dbraw/zinc/09/66/43/285096643.db2.gz GSKQFWXVRXSILK-UHFFFAOYSA-N 1 0 347.156 1.999 10 5 EDBERO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000173334234 533144147 /nfs/dbraw/zinc/14/41/47/533144147.db2.gz JSLKWQUWTHUTOK-MWLCHTKSSA-N 1 0 329.378 1.009 10 5 EDBERO Cc1cc(C)c(S(=O)(=O)N2CC[C@H]([NH3+])C(C)(C)C2)cc1[N+](=O)[O-] ZINC000261897953 278664225 /nfs/dbraw/zinc/66/42/25/278664225.db2.gz WFUZRIZGNJKFCA-AWEZNQCLSA-N 1 0 341.433 1.960 10 5 EDBERO CC1(C)CN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000261611344 281258200 /nfs/dbraw/zinc/25/82/00/281258200.db2.gz CDNDFEVMSACRSF-NSHDSACASA-N 1 0 347.824 1.996 10 5 EDBERO Cn1cc(C[NH2+]C[C@@H]2CN(C)CCO2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000105471044 441256340 /nfs/dbraw/zinc/25/63/40/441256340.db2.gz WSGOHWRJIYIDEF-MRXNPFEDSA-N 1 0 345.403 1.416 10 5 EDBERO C[N@H+](CCn1ccc([N+](=O)[O-])n1)C1CCN(CCn2cccn2)CC1 ZINC000176232940 442196578 /nfs/dbraw/zinc/19/65/78/442196578.db2.gz QQPUDNQMIPJINU-UHFFFAOYSA-N 1 0 347.423 1.084 10 5 EDBERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000176885779 442266961 /nfs/dbraw/zinc/26/69/61/442266961.db2.gz KGANKZNQAKHUKD-AWEZNQCLSA-N 1 0 348.403 1.784 10 5 EDBERO Cc1ccc(NC(=O)C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000177686364 442370461 /nfs/dbraw/zinc/37/04/61/442370461.db2.gz VRATVFICQJAXCJ-CYBMUJFWSA-N 1 0 332.360 1.148 10 5 EDBERO COc1cc(-c2nc([C@@H]3C[NH2+]CCN3C)no2)c([N+](=O)[O-])cc1OC ZINC000263304772 536868671 /nfs/dbraw/zinc/86/86/71/536868671.db2.gz XPLGESYWAGFGOL-NSHDSACASA-N 1 0 349.347 1.238 10 5 EDBERO CN(Cc1cccnc1)C[C@@H]1CC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000195296596 139012895 /nfs/dbraw/zinc/01/28/95/139012895.db2.gz BOKXCWMRSYSEGW-INIZCTEOSA-N 1 0 344.419 1.640 10 5 EDBERO COc1cc(S(=O)(=O)N2CCCC[C@@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000237227536 139045059 /nfs/dbraw/zinc/04/50/59/139045059.db2.gz PVIUWYMCPVOCPQ-SNVBAGLBSA-N 1 0 329.378 1.105 10 5 EDBERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000247495932 139150645 /nfs/dbraw/zinc/15/06/45/139150645.db2.gz UPRTUMBVFVLBPG-BBRMVZONSA-N 1 0 344.415 1.652 10 5 EDBERO C[C@@H]1CCN(C(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)[C@@H](C[NH3+])C1 ZINC000261875790 139233201 /nfs/dbraw/zinc/23/32/01/139233201.db2.gz STBIAYNBUNAAIH-DGCLKSJQSA-N 1 0 349.387 1.494 10 5 EDBERO C[NH2+][C@@H]1COC[C@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1Br ZINC000159452517 532973004 /nfs/dbraw/zinc/97/30/04/532973004.db2.gz LZPSOTWUTACYRB-LDYMZIIASA-N 1 0 344.165 1.530 10 5 EDBERO C[C@H]1C[C@@H]([NH3+])CCN1S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000156151232 224556376 /nfs/dbraw/zinc/55/63/76/224556376.db2.gz DPOBOPRHLMCKGC-IUCAKERBSA-N 1 0 333.797 1.749 10 5 EDBERO O=[N+]([O-])c1ccc(C[S@@](=O)CC2C[NH2+]C2)c(Br)c1 ZINC000167380107 226189273 /nfs/dbraw/zinc/18/92/73/226189273.db2.gz ZRNJKWKEJJXCEO-GOSISDBHSA-N 1 0 333.207 1.825 10 5 EDBERO CO[C@H]1C[NH2+]C[C@@H]1Nc1ncc([N+](=O)[O-])c(C)c1Br ZINC000165808571 226137786 /nfs/dbraw/zinc/13/77/86/226137786.db2.gz AQUXCXMPHFEAAQ-CBAPKCEASA-N 1 0 331.170 1.459 10 5 EDBERO O=C(NC[C@H]1CC[NH2+]C1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000165978872 226143755 /nfs/dbraw/zinc/14/37/55/226143755.db2.gz JSWKHOSPMZBIQQ-QMMMGPOBSA-N 1 0 328.166 1.697 10 5 EDBERO Cc1nc(C[C@@H]2CCC[N@H+](CCn3cc([N+](=O)[O-])ccc3=O)C2)no1 ZINC000090525861 441632511 /nfs/dbraw/zinc/63/25/11/441632511.db2.gz KHJACFZBABUQFQ-ZDUSSCGKSA-N 1 0 347.375 1.403 10 5 EDBERO C[NH+](C)[C@@H]1CCN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000170866293 442279972 /nfs/dbraw/zinc/27/99/72/442279972.db2.gz IKUHHVQQXTYCBY-OAHLLOKOSA-N 1 0 329.360 1.557 10 5 EDBERO COc1cc(S(=O)(=O)N2CC[N@@H+]3CCC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000177056270 442291179 /nfs/dbraw/zinc/29/11/79/442291179.db2.gz PEBHKEJIZYNQQU-LLVKDONJSA-N 1 0 341.389 1.072 10 5 EDBERO Cc1ccc(NC(=O)C(=O)N2CC[N@@H+]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000177686379 442370749 /nfs/dbraw/zinc/37/07/49/442370749.db2.gz VRATVFICQJAXCJ-ZDUSSCGKSA-N 1 0 332.360 1.148 10 5 EDBERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000247520147 442860281 /nfs/dbraw/zinc/86/02/81/442860281.db2.gz WPWPCXKNYFDCLS-MNOVXSKESA-N 1 0 343.380 1.591 10 5 EDBERO C[C@H](O)C[N@@H+]1CCN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000255536780 443101659 /nfs/dbraw/zinc/10/16/59/443101659.db2.gz ZCYQVBQWKMFAJL-QDDHOEGMSA-N 1 0 333.388 1.522 10 5 EDBERO O=[N+]([O-])c1cc(Br)cnc1NC[C@@H]1C[NH2+]CCCO1 ZINC000389829679 325729251 /nfs/dbraw/zinc/72/92/51/325729251.db2.gz UZOUMXZWZYXNAQ-VIFPVBQESA-N 1 0 331.170 1.543 10 5 EDBERO O=C(c1ccc(-n2cncn2)c([N+](=O)[O-])c1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171585290 491004789 /nfs/dbraw/zinc/00/47/89/491004789.db2.gz IUKFCTHMUDKOLX-CYBMUJFWSA-N 1 0 342.359 1.096 10 5 EDBERO C[C@@H]1C[C@H]([NH3+])CCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000156145085 533898303 /nfs/dbraw/zinc/89/83/03/533898303.db2.gz MPXANAVZSIKGOG-RKDXNWHRSA-N 1 0 333.797 1.749 10 5 EDBERO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCCCC2(C[NH2+]C2)C1 ZINC000757067509 579963259 /nfs/dbraw/zinc/96/32/59/579963259.db2.gz PGCUMODVRZHZEQ-UHFFFAOYSA-N 1 0 325.390 1.359 10 5 EDBERO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCCCC3(C[NH2+]C3)C2)cc1 ZINC000757067140 579963306 /nfs/dbraw/zinc/96/33/06/579963306.db2.gz KTNWWZPKFOPBSU-UHFFFAOYSA-N 1 0 325.390 1.359 10 5 EDBERO CC(C)[N@H+](C)CCNS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000054132169 214218120 /nfs/dbraw/zinc/21/81/20/214218120.db2.gz SMARLQBNWJRPTN-UHFFFAOYSA-N 1 0 335.813 1.867 10 5 EDBERO [NH3+][C@H]1CCC[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000063171910 214747241 /nfs/dbraw/zinc/74/72/41/214747241.db2.gz PMTIEKRKSPQINH-WDEREUQCSA-N 1 0 328.166 1.967 10 5 EDBERO C[C@@H]1C[NH2+]C[C@@H](C)N1S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000069133988 215363439 /nfs/dbraw/zinc/36/34/39/215363439.db2.gz NVQRZDBKXUDIOJ-RKDXNWHRSA-N 1 0 333.797 1.619 10 5 EDBERO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000246332427 139104462 /nfs/dbraw/zinc/10/44/62/139104462.db2.gz DULPDYREKZRRPS-XJKSGUPXSA-N 1 0 335.404 1.756 10 5 EDBERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000246824259 139123211 /nfs/dbraw/zinc/12/32/11/139123211.db2.gz LKRDKLXPKKVJNF-KBPBESRZSA-N 1 0 332.404 1.726 10 5 EDBERO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000247120457 139136409 /nfs/dbraw/zinc/13/64/09/139136409.db2.gz JASQQIKSUVIAFJ-DGCLKSJQSA-N 1 0 339.417 1.760 10 5 EDBERO Cc1ccc(C)c(S(=O)(=O)N2CC[C@H]([NH3+])C(C)(C)C2)c1[N+](=O)[O-] ZINC000261787376 292086827 /nfs/dbraw/zinc/08/68/27/292086827.db2.gz UNYMIKAASMDANG-LBPRGKRZSA-N 1 0 341.433 1.960 10 5 EDBERO CC[C@H]1CN(C(=O)Cc2ccccc2[N+](=O)[O-])CC[N@@H+]1C[C@@H](C)O ZINC000174597093 281133123 /nfs/dbraw/zinc/13/31/23/281133123.db2.gz NCKAXSWFHXOVIS-HIFRSBDPSA-N 1 0 335.404 1.441 10 5 EDBERO C[NH+](C)C[C@H]1CN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CCO1 ZINC000105796433 441271452 /nfs/dbraw/zinc/27/14/52/441271452.db2.gz PPHDHVMLJIRWFC-LBPRGKRZSA-N 1 0 334.376 1.246 10 5 EDBERO C[NH+](C)C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000116796207 441849701 /nfs/dbraw/zinc/84/97/01/441849701.db2.gz PEFLTUJUAZFVBM-LLVKDONJSA-N 1 0 327.768 1.651 10 5 EDBERO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000173885902 441855454 /nfs/dbraw/zinc/85/54/54/441855454.db2.gz KJAQPXMHFMHBSR-JSGCOSHPSA-N 1 0 341.433 1.910 10 5 EDBERO Cc1cc(Cl)c(S(=O)(=O)N2CC[C@@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000176692731 442247496 /nfs/dbraw/zinc/24/74/96/442247496.db2.gz BNXJYENETCIDAL-SNVBAGLBSA-N 1 0 347.824 1.881 10 5 EDBERO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000176878674 442265823 /nfs/dbraw/zinc/26/58/23/442265823.db2.gz WDSMXOJXODKPMY-ZDUSSCGKSA-N 1 0 335.404 1.760 10 5 EDBERO CCOc1cc([N+](=O)[O-])c(C(=O)N2CC[C@H]([NH+](C)C)C2)cc1OC ZINC000170857838 442276489 /nfs/dbraw/zinc/27/64/89/442276489.db2.gz SPDQIUCIOXLZMV-NSHDSACASA-N 1 0 337.376 1.778 10 5 EDBERO C[NH+](C)C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)CCO1 ZINC000155426259 442397703 /nfs/dbraw/zinc/39/77/03/442397703.db2.gz XFIDHKDXLXOWJH-GFCCVEGCSA-N 1 0 344.371 1.546 10 5 EDBERO CC[C@@H]([NH2+]CC(=O)N1CCN(C(C)=O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000181530727 442702163 /nfs/dbraw/zinc/70/21/63/442702163.db2.gz KTUUKRHLXBAHLS-MRXNPFEDSA-N 1 0 348.403 1.326 10 5 EDBERO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CC[N@@H+]3CCC[C@H]3C2)c1C ZINC000247010108 442827477 /nfs/dbraw/zinc/82/74/77/442827477.db2.gz LDAYTJVSNSLESA-ZDUSSCGKSA-N 1 0 339.417 1.680 10 5 EDBERO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000247651877 442864129 /nfs/dbraw/zinc/86/41/29/442864129.db2.gz WXTWTSROKWZTCW-LBPRGKRZSA-N 1 0 325.390 1.372 10 5 EDBERO O=[N+]([O-])c1ccccc1CS(=O)(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000184464777 443024348 /nfs/dbraw/zinc/02/43/48/443024348.db2.gz DANJVVBXOSORSN-CYBMUJFWSA-N 1 0 325.390 1.205 10 5 EDBERO CC(C)[N@H+]1C[C@H](NS(=O)(=O)Cc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000184599757 443047510 /nfs/dbraw/zinc/04/75/10/443047510.db2.gz LAXLKMCBYNIYAX-JSGCOSHPSA-N 1 0 341.433 1.743 10 5 EDBERO [NH3+]C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)s2)CC1 ZINC000157441503 534569602 /nfs/dbraw/zinc/56/96/02/534569602.db2.gz JXOVWXALPLJKSA-UHFFFAOYSA-N 1 0 325.799 1.422 10 5 EDBERO CC(C)(C[NH3+])NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1Cl ZINC000166043858 527079318 /nfs/dbraw/zinc/07/93/18/527079318.db2.gz UHYRMKFZFFQYGB-UHFFFAOYSA-N 1 0 342.204 1.917 10 5 EDBERO Cc1cc(S(=O)(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000173882945 231059690 /nfs/dbraw/zinc/05/96/90/231059690.db2.gz HBSCUIKIGSMCER-GXTWGEPZSA-N 1 0 341.433 1.910 10 5 EDBERO O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000195332205 139014735 /nfs/dbraw/zinc/01/47/35/139014735.db2.gz PUSBWLXTJLELEW-INIZCTEOSA-N 1 0 341.371 1.701 10 5 EDBERO Cc1c(NC(=O)C(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)cccc1[N+](=O)[O-] ZINC000249251597 139189833 /nfs/dbraw/zinc/18/98/33/139189833.db2.gz XZDBYLIKSYXVSV-YPMHNXCESA-N 1 0 346.387 1.537 10 5 EDBERO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000262572235 139287496 /nfs/dbraw/zinc/28/74/96/139287496.db2.gz XNIUWXUNIUMUCL-ZDUSSCGKSA-N 1 0 327.406 1.651 10 5 EDBERO C[NH+](C)[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)C1 ZINC000170858975 226769725 /nfs/dbraw/zinc/76/97/25/226769725.db2.gz ODIJVHWSTFFMIY-AWEZNQCLSA-N 1 0 332.404 1.971 10 5 EDBERO CC[C@@H](O)C[NH+]1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000106397027 441338207 /nfs/dbraw/zinc/33/82/07/441338207.db2.gz OACXCTADQSQTBQ-CDVVCGDMSA-N 1 0 333.388 1.523 10 5 EDBERO C[C@H]([NH2+][C@H]1CCc2ncnn2C1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000105870592 441301785 /nfs/dbraw/zinc/30/17/85/441301785.db2.gz SLKCEJJRPHFMCO-QWRGUYRKSA-N 1 0 330.348 1.118 10 5 EDBERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000113231668 441591052 /nfs/dbraw/zinc/59/10/52/441591052.db2.gz TVUMCUZFJWZFNL-CMPLNLGQSA-N 1 0 334.332 1.812 10 5 EDBERO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccc(S(C)(=O)=O)cc1 ZINC000090538681 441633535 /nfs/dbraw/zinc/63/35/35/441633535.db2.gz LBDOULOLSRTISD-LLVKDONJSA-N 1 0 338.389 1.546 10 5 EDBERO CC[C@@H](O)C[NH+]1CCN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC1 ZINC000255188335 443089293 /nfs/dbraw/zinc/08/92/93/443089293.db2.gz OACXCTADQSQTBQ-KQQSKNTNSA-N 1 0 333.388 1.523 10 5 EDBERO CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H](C[NH+](C)C)c2ccccc2)n1 ZINC000191476190 443300232 /nfs/dbraw/zinc/30/02/32/443300232.db2.gz YWAJTKZYIUBUEI-ZDUSSCGKSA-N 1 0 331.376 1.844 10 5 EDBERO CC[C@@H](O)C[NH+]1CCN(CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174091443 529228866 /nfs/dbraw/zinc/22/88/66/529228866.db2.gz RJBBBFYPSOBLGN-MRXNPFEDSA-N 1 0 337.420 1.752 10 5 EDBERO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CCC[C@@H]1C[NH3+] ZINC000237206116 536956903 /nfs/dbraw/zinc/95/69/03/536956903.db2.gz PSBQFLSXNURKCU-KOLCDFICSA-N 1 0 329.378 1.009 10 5 EDBERO Cc1cc(Cl)c(S(=O)(=O)N2CCC[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000122423509 596408578 /nfs/dbraw/zinc/40/85/78/596408578.db2.gz DEKZNJHNZGHKLU-VIFPVBQESA-N 1 0 333.797 1.668 10 5 EDBERO O=[N+]([O-])c1ccc2nc(S(=O)(=O)C[C@@H]3CCCC[NH2+]3)cnc2c1 ZINC000095092265 218280082 /nfs/dbraw/zinc/28/00/82/218280082.db2.gz LZDBYMAFEFABMV-JTQLQIEISA-N 1 0 336.373 1.454 10 5 EDBERO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000261887431 139234076 /nfs/dbraw/zinc/23/40/76/139234076.db2.gz VECGWBUUOLFRQB-YPMHNXCESA-N 1 0 327.768 1.713 10 5 EDBERO [NH3+]C[C@H]1CCN(c2ccc(I)cc2[N+](=O)[O-])C1 ZINC000097349137 219014061 /nfs/dbraw/zinc/01/40/61/219014061.db2.gz MHIBYNSFNXDRLX-MRVPVSSYSA-N 1 0 347.156 1.984 10 5 EDBERO C[C@H]([NH3+])CNS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1Cl ZINC000166045268 226146517 /nfs/dbraw/zinc/14/65/17/226146517.db2.gz GWAXJTVUCWDDFP-YFKPBYRVSA-N 1 0 328.177 1.527 10 5 EDBERO CC1(C)CN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000261662956 273017171 /nfs/dbraw/zinc/01/71/71/273017171.db2.gz IIZTWMZGCOSNDM-ZDUSSCGKSA-N 1 0 327.406 1.484 10 5 EDBERO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N[C@H]2CCC[C@H]2C[NH3+])c1 ZINC000193291392 280654984 /nfs/dbraw/zinc/65/49/84/280654984.db2.gz UQTAFJZKEKEVAS-UWVGGRQHSA-N 1 0 347.824 1.962 10 5 EDBERO C[NH+](C)C[C@@H](NC(=O)NCCn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000131909440 289188985 /nfs/dbraw/zinc/18/89/85/289188985.db2.gz CFZJSKMRKQICPF-OAHLLOKOSA-N 1 0 346.391 1.393 10 5 EDBERO CC[C@H]1CN(Cc2ccc(OC)c([N+](=O)[O-])c2)CC[N@@H+]1C[C@@H](C)O ZINC000105827308 441283102 /nfs/dbraw/zinc/28/31/02/441283102.db2.gz CKARIJXJJSKXAQ-HIFRSBDPSA-N 1 0 337.420 1.880 10 5 EDBERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000113444996 441608764 /nfs/dbraw/zinc/60/87/64/441608764.db2.gz CFWIRVAWLAFKON-SWLSCSKDSA-N 1 0 346.387 1.020 10 5 EDBERO C[NH+](C)C[C@@H]1CN(C(=O)CSc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000116792495 441848342 /nfs/dbraw/zinc/84/83/42/441848342.db2.gz JOZGWOIKWATXLV-CYBMUJFWSA-N 1 0 339.417 1.476 10 5 EDBERO CCC[C@H](C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)[NH+](C)C ZINC000162192270 442073623 /nfs/dbraw/zinc/07/36/23/442073623.db2.gz FDLDJGMVZDYRFQ-GXTWGEPZSA-N 1 0 335.408 1.733 10 5 EDBERO Cc1cc(C)c(S(=O)(=O)N2CCCC[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000193245204 442726028 /nfs/dbraw/zinc/72/60/28/442726028.db2.gz BDWHQHKFCADSRE-LBPRGKRZSA-N 1 0 327.406 1.714 10 5 EDBERO CN(Cc1cccnc1)C[C@@H]1CC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000195274471 443003233 /nfs/dbraw/zinc/00/32/33/443003233.db2.gz FGWZJIIMAJNPHP-INIZCTEOSA-N 1 0 344.419 1.640 10 5 EDBERO CC[C@@H]1CN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C[C@H](C)O ZINC000255891821 443113337 /nfs/dbraw/zinc/11/33/37/443113337.db2.gz ZEUJQBPRFYFKHK-ZJIBPLLGSA-N 1 0 347.415 1.912 10 5 EDBERO O=C(NC1CC1)c1ccc(N2CC[N@@H+]3CCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000246219451 443280564 /nfs/dbraw/zinc/28/05/64/443280564.db2.gz YLMVGBOMSXFYOT-AWEZNQCLSA-N 1 0 330.388 1.771 10 5 EDBERO CCC[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])c(C)c(Br)c1=O ZINC000165368445 528517475 /nfs/dbraw/zinc/51/74/75/528517475.db2.gz FYSPBTRJNOOXGV-SECBINFHSA-N 1 0 348.197 1.188 10 5 EDBERO CC[C@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C[C@H](C)O ZINC000246929310 536113146 /nfs/dbraw/zinc/11/31/46/536113146.db2.gz RCZACWNVBJAPND-ZFWWWQNUSA-N 1 0 335.404 1.441 10 5 EDBERO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCCCCC23C[NH2+]C3)cc1 ZINC000757067109 579963240 /nfs/dbraw/zinc/96/32/40/579963240.db2.gz CIGXOEZFGFEVLJ-UHFFFAOYSA-N 1 0 325.390 1.502 10 5 EDBERO C[C@@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc2c(c1)OCCO2 ZINC000174704429 231284739 /nfs/dbraw/zinc/28/47/39/231284739.db2.gz CKSBMBHUQIVTEE-RISCZKNCSA-N 1 0 348.359 1.274 10 5 EDBERO COc1cc(S(=O)(=O)N2CCCC[C@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000237227691 139044999 /nfs/dbraw/zinc/04/49/99/139044999.db2.gz PVIUWYMCPVOCPQ-JTQLQIEISA-N 1 0 329.378 1.105 10 5 EDBERO CC(C)[N@@H+]1C[C@H](C)[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000246042139 139092959 /nfs/dbraw/zinc/09/29/59/139092959.db2.gz BJLNOFWSALRLPY-GXFFZTMASA-N 1 0 345.396 1.741 10 5 EDBERO COc1ccc(S(=O)(=O)N2CC[C@H]([NH3+])C(C)(C)C2)cc1[N+](=O)[O-] ZINC000261928718 139237826 /nfs/dbraw/zinc/23/78/26/139237826.db2.gz SMNGOIRHALHBRE-ZDUSSCGKSA-N 1 0 343.405 1.351 10 5 EDBERO C[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)C1 ZINC000183015198 267662447 /nfs/dbraw/zinc/66/24/47/267662447.db2.gz NFQQLRGLPJVMBP-ABAIWWIYSA-N 1 0 332.360 1.250 10 5 EDBERO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](O)C[NH+]2CCCCC2)c1 ZINC000160063138 295253534 /nfs/dbraw/zinc/25/35/34/295253534.db2.gz ASWNZKJQVAIVHM-LBPRGKRZSA-N 1 0 337.376 1.180 10 5 EDBERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000160767049 441919270 /nfs/dbraw/zinc/91/92/70/441919270.db2.gz MWGRSLICKWSRQJ-CYBMUJFWSA-N 1 0 338.412 1.211 10 5 EDBERO CC[N@@H+]1CCC[C@@H](Nc2cc([N+](=O)[O-])ccc2S(N)(=O)=O)C1 ZINC000181439781 442697582 /nfs/dbraw/zinc/69/75/82/442697582.db2.gz NGIAJLNOIPXIIY-SNVBAGLBSA-N 1 0 328.394 1.138 10 5 EDBERO CSc1cccc(C(=O)N2CCO[C@H](C[NH+](C)C)C2)c1[N+](=O)[O-] ZINC000188165103 442718935 /nfs/dbraw/zinc/71/89/35/442718935.db2.gz HSSUTCDZYUPGNX-LLVKDONJSA-N 1 0 339.417 1.719 10 5 EDBERO Cc1c(Br)c(N2CCO[C@H]([C@@H](C)[NH3+])C2)ncc1[N+](=O)[O-] ZINC000165840886 533707310 /nfs/dbraw/zinc/70/73/10/533707310.db2.gz INLZWYRKWJPFOJ-SCZZXKLOSA-N 1 0 345.197 1.613 10 5 EDBERO Cc1c(Cl)cc(S(=O)(=O)NCC[NH2+]C(C)C)cc1[N+](=O)[O-] ZINC000054266724 214228746 /nfs/dbraw/zinc/22/87/46/214228746.db2.gz LCRAPKLPUPFYGF-UHFFFAOYSA-N 1 0 335.813 1.833 10 5 EDBERO CC[C@H]([NH2+]CCc1cn(CC(=O)OC)nn1)c1cccc([N+](=O)[O-])c1 ZINC000181564928 529608111 /nfs/dbraw/zinc/60/81/11/529608111.db2.gz JIJJKQLQIXDWAX-HNNXBMFYSA-N 1 0 347.375 1.643 10 5 EDBERO O=C(CN1CC[N@@H+]2CCC[C@@H]2C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000178621501 232310194 /nfs/dbraw/zinc/31/01/94/232310194.db2.gz GCWKSFYJCAKTKM-OAHLLOKOSA-N 1 0 330.388 1.264 10 5 EDBERO O=C(Nc1ccc([N+](=O)[O-])cc1Br)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000037040289 213131672 /nfs/dbraw/zinc/13/16/72/213131672.db2.gz JFJKKSPQXLNXIE-GMSGAONNSA-N 1 0 330.138 1.019 10 5 EDBERO CC1(C)CN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CC[C@@H]1[NH3+] ZINC000262493813 535357942 /nfs/dbraw/zinc/35/79/42/535357942.db2.gz LFBAGECSVFMVCX-ZDUSSCGKSA-N 1 0 327.406 1.484 10 5 EDBERO CC[C@H]1CN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC[N@@H+]1C[C@H](C)O ZINC000246208470 139099315 /nfs/dbraw/zinc/09/93/15/139099315.db2.gz SAXHBWYCPKVIHH-HOCLYGCPSA-N 1 0 349.431 1.831 10 5 EDBERO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000247469014 139149408 /nfs/dbraw/zinc/14/94/08/139149408.db2.gz GOIKMQCCURMEPG-LBPRGKRZSA-N 1 0 341.389 1.072 10 5 EDBERO O=[N+]([O-])c1ccc2oc(S(=O)(=O)C[C@H]3CCCC[NH2+]3)nc2c1 ZINC000095092154 218279979 /nfs/dbraw/zinc/27/99/79/218279979.db2.gz RUEHHDMJYCLAIV-SECBINFHSA-N 1 0 325.346 1.652 10 5 EDBERO NS(=O)(=O)c1ccc(N[C@@H](C[NH3+])C2CCCCC2)c([N+](=O)[O-])c1 ZINC000261740145 139222201 /nfs/dbraw/zinc/22/22/01/139222201.db2.gz NWEZHSBJXOZZSV-ZDUSSCGKSA-N 1 0 342.421 1.562 10 5 EDBERO CN(CC(=O)N1CC[NH2+]CC1)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000262390106 139275580 /nfs/dbraw/zinc/27/55/80/139275580.db2.gz ZPNJCWBKKABAOQ-UHFFFAOYSA-N 1 0 326.784 1.112 10 5 EDBERO C[C@H]1[NH2+]CCC[C@H]1NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000189320665 280049036 /nfs/dbraw/zinc/04/90/36/280049036.db2.gz QVYWVOFUSDDNNY-PSASIEDQSA-N 1 0 333.797 1.667 10 5 EDBERO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H](C)C[C@@H]1C[NH3+] ZINC000262418616 281018979 /nfs/dbraw/zinc/01/89/79/281018979.db2.gz DUXKWXKRDUHDEJ-GXFFZTMASA-N 1 0 327.406 1.651 10 5 EDBERO COc1ccc(NC(=O)CN2C[C@H]3CCC[N@@H+]3C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000113270576 441596822 /nfs/dbraw/zinc/59/68/22/441596822.db2.gz RGMKAGLRQDHSMV-QWHCGFSZSA-N 1 0 348.403 1.710 10 5 EDBERO COc1cc(C(=O)NC[C@H](O)C[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000160613141 441902587 /nfs/dbraw/zinc/90/25/87/441902587.db2.gz DHGSGUGOTBPXNE-ZDUSSCGKSA-N 1 0 337.376 1.180 10 5 EDBERO Cc1ccc(NC(=O)C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000150805465 441955162 /nfs/dbraw/zinc/95/51/62/441955162.db2.gz MEQGDAWLFLQUSS-GXTWGEPZSA-N 1 0 348.403 1.687 10 5 EDBERO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000184522775 443034204 /nfs/dbraw/zinc/03/42/04/443034204.db2.gz RUUWXOXWHNCALV-CYBMUJFWSA-N 1 0 346.387 1.457 10 5 EDBERO [NH3+]CCCS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000166419745 534618997 /nfs/dbraw/zinc/61/89/97/534618997.db2.gz MFUXUNKRBHJNFG-UHFFFAOYSA-N 1 0 337.195 1.621 10 5 EDBERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000246704475 139118148 /nfs/dbraw/zinc/11/81/48/139118148.db2.gz NCNZZEMYOAEHOL-WFASDCNBSA-N 1 0 339.417 1.593 10 5 EDBERO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000247062423 139133810 /nfs/dbraw/zinc/13/38/10/139133810.db2.gz HIGBCIZZFHLJRB-OCCSQVGLSA-N 1 0 348.403 1.710 10 5 EDBERO C[NH2+][C@H](C)Cc1noc([C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)n1 ZINC000261615943 139211336 /nfs/dbraw/zinc/21/13/36/139211336.db2.gz BHCFZFUQKNPDQT-NXEZZACHSA-N 1 0 333.348 1.619 10 5 EDBERO CC1(C)CN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CC[C@@H]1[NH3+] ZINC000261752618 139223213 /nfs/dbraw/zinc/22/32/13/139223213.db2.gz DVIGTWLOUVWMKM-HNNXBMFYSA-N 1 0 343.387 1.980 10 5 EDBERO [NH3+][C@@H]1CC[C@H]2CN(C(=O)C(F)(F)c3ccc([N+](=O)[O-])cc3)C[C@@H]12 ZINC000262378876 139274457 /nfs/dbraw/zinc/27/44/57/139274457.db2.gz NWHBVNCQRYOXQP-ZWKOPEQDSA-N 1 0 325.315 1.882 10 5 EDBERO Cc1cc(Br)c(NC(=O)[C@H]2C[NH2+]CCO2)cc1[N+](=O)[O-] ZINC000169228344 226235634 /nfs/dbraw/zinc/23/56/34/226235634.db2.gz CKHQWDCSAQZARH-LLVKDONJSA-N 1 0 344.165 1.593 10 5 EDBERO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCCC[C@H]1C[NH3+] ZINC000237190565 277390058 /nfs/dbraw/zinc/39/00/58/277390058.db2.gz ZNBPTRBUYDFMRS-NSHDSACASA-N 1 0 329.378 1.105 10 5 EDBERO CC[C@@H]1CN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC[N@@H+]1CCOC ZINC000173807745 441843417 /nfs/dbraw/zinc/84/34/17/441843417.db2.gz KPGPYOWBFCYLDS-OAHLLOKOSA-N 1 0 335.404 1.707 10 5 EDBERO C[C@@H](O)C[N@@H+]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@@H]1C ZINC000177054046 442291661 /nfs/dbraw/zinc/29/16/61/442291661.db2.gz SRJBMINLAYHEOX-NWDGAFQWSA-N 1 0 334.376 1.623 10 5 EDBERO C[C@@H]1C[N@H+](CCOc2ccccc2[N+](=O)[O-])C[C@@H]1N1CCOCC1 ZINC000177278113 442323686 /nfs/dbraw/zinc/32/36/86/442323686.db2.gz UDWBTWBBXRSFJH-ZBFHGGJFSA-N 1 0 335.404 1.626 10 5 EDBERO Cc1nnc([C@H]2CN(C[C@H](O)c3cccc([N+](=O)[O-])c3)CCO2)[nH]1 ZINC000154376472 442335894 /nfs/dbraw/zinc/33/58/94/442335894.db2.gz BLVGQSOHCZVIRH-UONOGXRCSA-N 1 0 333.348 1.128 10 5 EDBERO CC[C@@H](O)C[NH+]1CCN(Cc2cc(OC)c(F)cc2[N+](=O)[O-])CC1 ZINC000184224304 529228951 /nfs/dbraw/zinc/22/89/51/529228951.db2.gz AZQDAQWNISBFNB-CYBMUJFWSA-N 1 0 341.383 1.631 10 5 EDBERO C[C@@H]1C[NH2+]C[C@@H](C)N1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000069133692 215361629 /nfs/dbraw/zinc/36/16/29/215361629.db2.gz ICXSEFCKZMGDHE-RKDXNWHRSA-N 1 0 333.797 1.619 10 5 EDBERO Cc1cnn([C@H]2CCC[N@H+](CCn3cc([N+](=O)[O-])ccc3=O)C2)c1 ZINC000131874904 223280226 /nfs/dbraw/zinc/28/02/26/223280226.db2.gz DWKIKQBFPNXWSO-AWEZNQCLSA-N 1 0 331.376 1.599 10 5 EDBERO O=C(NC1[C@H]2C[NH2+]C[C@@H]12)c1cc([N+](=O)[O-])ccc1Br ZINC000045623192 213745911 /nfs/dbraw/zinc/74/59/11/213745911.db2.gz DCRKRCWCJIAYCX-SLHIUPAKSA-N 1 0 326.150 1.305 10 5 EDBERO C[C@@H](CC[NH+](C)C)NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000049559284 214019074 /nfs/dbraw/zinc/01/90/74/214019074.db2.gz TYPWVSIEFIDZDM-VIFPVBQESA-N 1 0 335.813 1.867 10 5 EDBERO CC[N@@H+]1CCC[C@@H]1CN(C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248374575 139161152 /nfs/dbraw/zinc/16/11/52/139161152.db2.gz RPFIMHQVBWRCRU-HUUCEWRRSA-N 1 0 337.420 1.751 10 5 EDBERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000248725813 139173125 /nfs/dbraw/zinc/17/31/25/139173125.db2.gz JYVZBVJXJAWKAF-YPMHNXCESA-N 1 0 325.390 1.452 10 5 EDBERO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@](C)(C[NH3+])C2CC2)cc1C ZINC000237667327 291992550 /nfs/dbraw/zinc/99/25/50/291992550.db2.gz FKKKELVCSVJWJR-CQSZACIVSA-N 1 0 327.406 1.617 10 5 EDBERO C[C@H]([NH3+])CS(=O)(=O)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000162528531 225823160 /nfs/dbraw/zinc/82/31/60/225823160.db2.gz AVZKCLIEOVUJBQ-ZETCQYMHSA-N 1 0 337.195 1.619 10 5 EDBERO [NH3+][C@H]1CCCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000165846617 226138970 /nfs/dbraw/zinc/13/89/70/226138970.db2.gz MBDVDVKHLUAIGY-JTQLQIEISA-N 1 0 328.166 1.921 10 5 EDBERO [NH3+][C@H]1CCC[C@@H]1NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000165872087 226141044 /nfs/dbraw/zinc/14/10/44/226141044.db2.gz FNLVQPXICXXKBI-QWRGUYRKSA-N 1 0 328.166 1.967 10 5 EDBERO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000127968794 287448613 /nfs/dbraw/zinc/44/86/13/287448613.db2.gz QMNXXZNKISEXKE-OAHLLOKOSA-N 1 0 345.403 1.909 10 5 EDBERO C[C@H]1CCN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000262412552 279725570 /nfs/dbraw/zinc/72/55/70/279725570.db2.gz DFMCWGYECOWRBY-ONGXEEELSA-N 1 0 347.824 1.996 10 5 EDBERO Cc1cc(C)c(S(=O)(=O)N[C@@H]2CCC[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000193289379 301198769 /nfs/dbraw/zinc/19/87/69/301198769.db2.gz OAVKNDIJEKQFPS-NWDGAFQWSA-N 1 0 327.406 1.617 10 5 EDBERO CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)C1 ZINC000105807578 441276210 /nfs/dbraw/zinc/27/62/10/441276210.db2.gz SXMWBJDWNITSAO-CYBMUJFWSA-N 1 0 344.375 1.390 10 5 EDBERO COc1ccc(OCCN2CCC[C@@H]2C(=O)N(C)C)c([N+](=O)[O-])c1 ZINC000173505727 441772170 /nfs/dbraw/zinc/77/21/70/441772170.db2.gz YDABGLGVEXKACB-CYBMUJFWSA-N 1 0 337.376 1.535 10 5 EDBERO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000131870931 442382047 /nfs/dbraw/zinc/38/20/47/442382047.db2.gz ZETQFKGRYUIMJV-OAHLLOKOSA-N 1 0 345.403 1.944 10 5 EDBERO COc1cc(CN2CCO[C@@H](C[NH+](C)C)C2)c([N+](=O)[O-])cc1F ZINC000184208373 533812327 /nfs/dbraw/zinc/81/23/27/533812327.db2.gz RJGHQUMMOFKFHL-LBPRGKRZSA-N 1 0 327.356 1.505 10 5 EDBERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000175039521 529304838 /nfs/dbraw/zinc/30/48/38/529304838.db2.gz MFFZBCXSDUPVKQ-LSDHHAIUSA-N 1 0 332.404 1.752 10 5 EDBERO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000193535535 695818162 /nfs/dbraw/zinc/81/81/62/695818162.db2.gz XBVORHRMOIMGFZ-RISCZKNCSA-N 1 0 329.360 1.651 10 5 EDBERO Cc1cccc(NC[C@H]2CC[N@H+](CCn3cc([N+](=O)[O-])cn3)C2)n1 ZINC000174839233 231322649 /nfs/dbraw/zinc/32/26/49/231322649.db2.gz SSWGDRSUQXRNKY-CQSZACIVSA-N 1 0 330.392 1.929 10 5 EDBERO CC(C)(C)OC[C@H](O)C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000047744811 138123295 /nfs/dbraw/zinc/12/32/95/138123295.db2.gz SRAGKJBOMBOMCS-MRXNPFEDSA-N 1 0 337.420 1.893 10 5 EDBERO COc1ccc(CSCC(=O)N2CCC[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000237214910 139044703 /nfs/dbraw/zinc/04/47/03/139044703.db2.gz VBRHAJOIGHQCMG-LBPRGKRZSA-N 1 0 339.417 1.786 10 5 EDBERO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000237551283 139053768 /nfs/dbraw/zinc/05/37/68/139053768.db2.gz IWMPJZIRTIIMBO-CHWSQXEVSA-N 1 0 348.403 1.219 10 5 EDBERO [NH3+]C[C@H]1CCCCN1S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000237968074 139065309 /nfs/dbraw/zinc/06/53/09/139065309.db2.gz JKPOSLDBXATMJV-SECBINFHSA-N 1 0 333.797 1.750 10 5 EDBERO Cc1ccc(S(=O)(=O)N2CC[C@H](C)C[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000262541294 139285206 /nfs/dbraw/zinc/28/52/06/139285206.db2.gz RDCQRGYDCIXWCB-JQWIXIFHSA-N 1 0 327.406 1.651 10 5 EDBERO COCC[N@@H+]1CCN(Cc2cc(OC)c(F)cc2[N+](=O)[O-])C[C@@H]1C ZINC000184202068 532967310 /nfs/dbraw/zinc/96/73/10/532967310.db2.gz HACQAEJCLMHARY-LBPRGKRZSA-N 1 0 341.383 1.895 10 5 EDBERO CSc1ccc(-c2nc([C@H]3C[NH2+]CCN3C)no2)cc1[N+](=O)[O-] ZINC000263132109 139324149 /nfs/dbraw/zinc/32/41/49/139324149.db2.gz BTXNJIQOGAFNHW-LLVKDONJSA-N 1 0 335.389 1.943 10 5 EDBERO CO[C@@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)[C@H](C[NH3+])C1 ZINC000261624396 277293063 /nfs/dbraw/zinc/29/30/63/277293063.db2.gz CLNNQFZFLRFDDY-QWHCGFSZSA-N 1 0 343.405 1.030 10 5 EDBERO Cc1c(F)cc(S(=O)(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1[N+](=O)[O-] ZINC000249513214 280236687 /nfs/dbraw/zinc/23/66/87/280236687.db2.gz IOKYRSPMEBFXEZ-UFGOTCBOSA-N 1 0 343.380 1.400 10 5 EDBERO CC1(C)CN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000262460256 281258558 /nfs/dbraw/zinc/25/85/58/281258558.db2.gz ILWCOAXKGLATBE-NSHDSACASA-N 1 0 331.369 1.482 10 5 EDBERO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000262568700 302045094 /nfs/dbraw/zinc/04/50/94/302045094.db2.gz XDTFJFQDFZZZOW-GFCCVEGCSA-N 1 0 327.406 1.651 10 5 EDBERO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000113305334 441602112 /nfs/dbraw/zinc/60/21/12/441602112.db2.gz JASQQIKSUVIAFJ-AAEUAGOBSA-N 1 0 339.417 1.760 10 5 EDBERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000173439861 441750217 /nfs/dbraw/zinc/75/02/17/441750217.db2.gz LKRDKLXPKKVJNF-ZIAGYGMSSA-N 1 0 332.404 1.726 10 5 EDBERO CCC[C@H](C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)[NH+](C)C ZINC000162192496 442072895 /nfs/dbraw/zinc/07/28/95/442072895.db2.gz FDLDJGMVZDYRFQ-TZMCWYRMSA-N 1 0 335.408 1.733 10 5 EDBERO C[C@@H]1C(=O)NCCCN1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000189324606 442921177 /nfs/dbraw/zinc/92/11/77/442921177.db2.gz ASPAACOJJZVRBS-SNVBAGLBSA-N 1 0 338.339 1.273 10 5 EDBERO CCOC(=O)c1cnc2ccc([N+](=O)[O-])cc2c1N1CC[NH2+]CC1 ZINC000053994923 535715249 /nfs/dbraw/zinc/71/52/49/535715249.db2.gz SCNOCPMUXQZFNP-UHFFFAOYSA-N 1 0 330.344 1.729 10 5 EDBERO C[C@@H]([NH3+])[C@@H]1CN(c2ccc([N+](=O)[O-])cc2Br)CCO1 ZINC000132934111 597913737 /nfs/dbraw/zinc/91/37/37/597913737.db2.gz XPTKKZPVWKHUFS-PELKAZGASA-N 1 0 330.182 1.910 10 5 EDBERO C[NH+](C)C[C@H](NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)c1ccccc1 ZINC000186798592 236023922 /nfs/dbraw/zinc/02/39/22/236023922.db2.gz BRZPRCUXFLVBQM-ZDUSSCGKSA-N 1 0 330.344 1.728 10 5 EDBERO O=[N+]([O-])c1ccc2sc(S(=O)(=O)C[C@H]3CCC[NH2+]C3)nc2c1 ZINC000095092214 218280259 /nfs/dbraw/zinc/28/02/59/218280259.db2.gz GBVZLCUYTZHECE-VIFPVBQESA-N 1 0 341.414 1.978 10 5 EDBERO CSc1ccc(C(=O)N2CCO[C@H](C[NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000116796587 441850198 /nfs/dbraw/zinc/85/01/98/441850198.db2.gz GXWLSGQFKOZKQU-GFCCVEGCSA-N 1 0 339.417 1.719 10 5 EDBERO CC[N@@H+]1CCC[C@@H]1CN(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000175396545 442055373 /nfs/dbraw/zinc/05/53/73/442055373.db2.gz DLIUXAVDCILIPJ-GFCCVEGCSA-N 1 0 345.396 1.839 10 5 EDBERO CN1CCN(c2ccc(Br)cc2[N+](=O)[O-])[C@@H](C[NH3+])C1 ZINC000226622997 443122084 /nfs/dbraw/zinc/12/20/84/443122084.db2.gz WEOCZADETPLTDU-JTQLQIEISA-N 1 0 329.198 1.436 10 5 EDBERO Cc1c(Br)c(=O)n(C[C@H](O)C[NH2+]C(C)C)cc1[N+](=O)[O-] ZINC000165369362 533706246 /nfs/dbraw/zinc/70/62/46/533706246.db2.gz GLDDAJVLAPWISE-SECBINFHSA-N 1 0 348.197 1.186 10 5 EDBERO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000132380530 533819341 /nfs/dbraw/zinc/81/93/41/533819341.db2.gz HAAWFRJVUJTKCU-JTQLQIEISA-N 1 0 331.369 1.367 10 5 EDBERO Cc1ccc(NC(=O)C(=O)N(C)CC2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000103633701 219319066 /nfs/dbraw/zinc/31/90/66/219319066.db2.gz KOVXEWVUHLOXJH-UHFFFAOYSA-N 1 0 348.403 1.642 10 5 EDBERO O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000195339029 139014920 /nfs/dbraw/zinc/01/49/20/139014920.db2.gz QSSOPCWUFDQJRC-OAHLLOKOSA-N 1 0 341.371 1.701 10 5 EDBERO C[C@@H]1CN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C[C@@H]1[NH3+] ZINC000235352185 139026098 /nfs/dbraw/zinc/02/60/98/139026098.db2.gz POGSEYDTFLRWLL-HQJQHLMTSA-N 1 0 328.166 1.777 10 5 EDBERO CC1(C)CN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC[C@@H]1[NH3+] ZINC000261607125 139210310 /nfs/dbraw/zinc/21/03/10/139210310.db2.gz BKRLIMPTAYSCOZ-HNNXBMFYSA-N 1 0 332.404 1.543 10 5 EDBERO [NH3+]C[C@H]1CCC[C@H]1C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000261771416 139224691 /nfs/dbraw/zinc/22/46/91/139224691.db2.gz OLMWMPKROCUTDZ-MBNYWOFBSA-N 1 0 333.392 1.378 10 5 EDBERO C[C@H]1CCN(C(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)[C@@H](C[NH3+])C1 ZINC000261875794 139233191 /nfs/dbraw/zinc/23/31/91/139233191.db2.gz STBIAYNBUNAAIH-WCQYABFASA-N 1 0 349.387 1.494 10 5 EDBERO Cc1cc(C(=O)Nc2nc(C3CC[NH2+]CC3)nn2C)ccc1[N+](=O)[O-] ZINC000262446063 139279516 /nfs/dbraw/zinc/27/95/16/139279516.db2.gz UENZUKDAUFUDCW-UHFFFAOYSA-N 1 0 344.375 1.751 10 5 EDBERO CN1CC[NH2+]C[C@H]1c1noc(/C=C/c2ccc(F)cc2[N+](=O)[O-])n1 ZINC000263190808 139327544 /nfs/dbraw/zinc/32/75/44/139327544.db2.gz HWGIFWIXSKGSIT-LQPUYASZSA-N 1 0 333.323 1.863 10 5 EDBERO COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160596945 272930187 /nfs/dbraw/zinc/93/01/87/272930187.db2.gz GZNKZFZGKGLGMT-ZDUSSCGKSA-N 1 0 337.376 1.180 10 5 EDBERO COc1cc(OCC(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)ccc1[N+](=O)[O-] ZINC000113228611 441590782 /nfs/dbraw/zinc/59/07/82/441590782.db2.gz QMILSVMEWLFTRY-CHWSQXEVSA-N 1 0 349.387 1.677 10 5 EDBERO CC[C@H](NC(=O)NCC[N@H+](C)CCOC)c1cccc([N+](=O)[O-])c1 ZINC000090559098 441634298 /nfs/dbraw/zinc/63/42/98/441634298.db2.gz VCTOBRBINOGGPP-HNNXBMFYSA-N 1 0 338.408 1.923 10 5 EDBERO C[NH+](C)C[C@H]1CN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CCO1 ZINC000116790574 441847099 /nfs/dbraw/zinc/84/70/99/441847099.db2.gz YMHRVWLYCXLPQQ-AWEZNQCLSA-N 1 0 348.403 1.572 10 5 EDBERO Cc1c(NC(=O)C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000150806125 441955141 /nfs/dbraw/zinc/95/51/41/441955141.db2.gz HYGSIROIZBLYMR-SMDDNHRTSA-N 1 0 348.403 1.687 10 5 EDBERO CCc1nccn1[C@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000131872422 442381999 /nfs/dbraw/zinc/38/19/99/442381999.db2.gz JLWHMBHOAIOVCL-AWEZNQCLSA-N 1 0 345.403 1.853 10 5 EDBERO Cc1cc(S(=O)(=O)N2CC[N@@H+]3CCC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000172021185 442400358 /nfs/dbraw/zinc/40/03/58/442400358.db2.gz YFAWTRFHBOKGJL-GFCCVEGCSA-N 1 0 325.390 1.372 10 5 EDBERO CC[C@@H]1CN(c2c([N+](=O)[O-])c(C)nn2CC)CC[N@@H+]1CCOC ZINC000192568444 442663904 /nfs/dbraw/zinc/66/39/04/442663904.db2.gz UDNXTQGIESYGSQ-CYBMUJFWSA-N 1 0 325.413 1.667 10 5 EDBERO CC(C)(C)OC[C@H](O)C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000246936135 442822338 /nfs/dbraw/zinc/82/23/38/442822338.db2.gz TYWZRFOBYZOEML-TZMCWYRMSA-N 1 0 338.408 1.652 10 5 EDBERO C[C@H](O)C[N@@H+]1CCN(C(=O)NCc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000248640448 442911167 /nfs/dbraw/zinc/91/11/67/442911167.db2.gz RFGGXVWWHYFOBI-STQMWFEESA-N 1 0 336.392 1.191 10 5 EDBERO Cc1c(NC(=O)C(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000190107405 443057585 /nfs/dbraw/zinc/05/75/85/443057585.db2.gz XZDBYLIKSYXVSV-WCQYABFASA-N 1 0 346.387 1.537 10 5 EDBERO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000176455512 534075022 /nfs/dbraw/zinc/07/50/22/534075022.db2.gz FMWFNOHHOZJUEU-AWEZNQCLSA-N 1 0 349.431 1.689 10 5 EDBERO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CC[C@@]3(CCC[NH2+]3)C2)cc1 ZINC000757067128 579963271 /nfs/dbraw/zinc/96/32/71/579963271.db2.gz CQGJTIQAAUCSRL-FZMZJTMJSA-N 1 0 325.390 1.548 10 5 EDBERO CC[C@H]1CN(Cn2nc(C)c([N+](=O)[O-])c2C)CC[N@@H+]1CCOC ZINC000117323788 595628552 /nfs/dbraw/zinc/62/85/52/595628552.db2.gz FTTFUOOYECZKQY-AWEZNQCLSA-N 1 0 325.413 1.408 10 5 EDBERO O=[N+]([O-])c1ccc(-c2noc(CN3CC[N@@H+]4CCC[C@@H]4C3)n2)cc1 ZINC000178639322 232328296 /nfs/dbraw/zinc/32/82/96/232328296.db2.gz NSUJJQKJVIXDTJ-CQSZACIVSA-N 1 0 329.360 1.925 10 5 EDBERO CC(C)[C@H]([NH2+]Cc1ccc(Br)c([N+](=O)[O-])c1)C(N)=O ZINC000223951253 539865622 /nfs/dbraw/zinc/86/56/22/539865622.db2.gz RVTFOGMJHQAQRW-NSHDSACASA-N 1 0 330.182 1.957 10 5 EDBERO [NH3+]C[C@H]1CCC[C@H]1NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000237843868 139061715 /nfs/dbraw/zinc/06/17/15/139061715.db2.gz KFALRXBXSKLTKQ-BXUZGUMPSA-N 1 0 329.360 1.638 10 5 EDBERO CC1(C)CN(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000261819476 278339706 /nfs/dbraw/zinc/33/97/06/278339706.db2.gz XSGMJTXQTSIEOI-GFCCVEGCSA-N 1 0 347.824 1.996 10 5 EDBERO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261609362 278744654 /nfs/dbraw/zinc/74/46/54/278744654.db2.gz BAPRXTSNBDKGND-CYBMUJFWSA-N 1 0 341.433 1.960 10 5 EDBERO CN(C[C@@H]1CCC[N@H+](C)C1)c1ccc([N+](=O)[O-])c(S(C)(=O)=O)c1 ZINC000125203298 441997072 /nfs/dbraw/zinc/99/70/72/441997072.db2.gz ZJEWKFCAEGXTBA-GFCCVEGCSA-N 1 0 341.433 1.776 10 5 EDBERO C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000176878690 442265745 /nfs/dbraw/zinc/26/57/45/442265745.db2.gz WDSMXOJXODKPMY-CYBMUJFWSA-N 1 0 335.404 1.760 10 5 EDBERO CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000194150743 442852453 /nfs/dbraw/zinc/85/24/53/442852453.db2.gz AFYGLLPEOOHLQO-GFCCVEGCSA-N 1 0 334.376 1.442 10 5 EDBERO Cc1c(Br)c(N2CCO[C@H]([C@H](C)[NH3+])C2)ncc1[N+](=O)[O-] ZINC000228017960 443123956 /nfs/dbraw/zinc/12/39/56/443123956.db2.gz INLZWYRKWJPFOJ-WPRPVWTQSA-N 1 0 345.197 1.613 10 5 EDBERO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC[C@@H]1C[NH3+] ZINC000236981972 443154546 /nfs/dbraw/zinc/15/45/46/443154546.db2.gz JEWUHBAJYMSEHD-CYBMUJFWSA-N 1 0 327.406 1.659 10 5 EDBERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000175039501 529407485 /nfs/dbraw/zinc/40/74/85/529407485.db2.gz MFFZBCXSDUPVKQ-HUUCEWRRSA-N 1 0 332.404 1.752 10 5 EDBERO CC[C@H]([NH2+]Cc1cc(=O)n(C)c(=O)n1C)c1cccc([N+](=O)[O-])c1 ZINC000181537468 529623921 /nfs/dbraw/zinc/62/39/21/529623921.db2.gz QCEVJCLYFPRPGG-AWEZNQCLSA-N 1 0 332.360 1.233 10 5 EDBERO COc1c(F)cc(S(=O)(=O)N2CC[C@@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000186895783 236056909 /nfs/dbraw/zinc/05/69/09/236056909.db2.gz WSPAFOVJONRPFQ-SECBINFHSA-N 1 0 347.368 1.067 10 5 EDBERO CC[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2OC)CC[N@@H+]1C[C@H](C)O ZINC000252352927 139204296 /nfs/dbraw/zinc/20/42/96/139204296.db2.gz OGZKDBOKOSZGTQ-DZGCQCFKSA-N 1 0 337.420 1.880 10 5 EDBERO [NH3+]CCNC(=O)[C@H]1CCCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000261967636 139240517 /nfs/dbraw/zinc/24/05/17/139240517.db2.gz YPDYOXSQLAWGSE-LBPRGKRZSA-N 1 0 340.811 1.535 10 5 EDBERO CNC(=O)c1ccc(NC[C@@H](O)C[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC000053562030 287224951 /nfs/dbraw/zinc/22/49/51/287224951.db2.gz IBSANRPHQHDXSL-CYBMUJFWSA-N 1 0 336.392 1.213 10 5 EDBERO C[C@H](C[NH+](C)C)NS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)s1 ZINC000168703164 226221510 /nfs/dbraw/zinc/22/15/10/226221510.db2.gz QTAIYJUPGPPTJY-ZCFIWIBFSA-N 1 0 327.815 1.538 10 5 EDBERO C[C@H]([NH2+][C@@H]1CCc2ncnn2C1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000105870565 441300465 /nfs/dbraw/zinc/30/04/65/441300465.db2.gz HFBKNKOYZPQEGQ-CMPLNLGQSA-N 1 0 330.348 1.118 10 5 EDBERO Cc1nn(CCC(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000113229928 441591123 /nfs/dbraw/zinc/59/11/23/441591123.db2.gz YXQNVIRGHMZJET-SMDDNHRTSA-N 1 0 335.408 1.493 10 5 EDBERO CC[C@H]1CN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC[N@@H+]1CCOC ZINC000173807756 441843231 /nfs/dbraw/zinc/84/32/31/441843231.db2.gz KPGPYOWBFCYLDS-HNNXBMFYSA-N 1 0 335.404 1.707 10 5 EDBERO [NH3+]C[C@@H]1CCCCN1C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000131044397 442363336 /nfs/dbraw/zinc/36/33/36/442363336.db2.gz AZISXHKDADYXJP-AWEZNQCLSA-N 1 0 329.360 1.734 10 5 EDBERO Cc1cc(N2CCO[C@@H](C[NH3+])C2)c(Br)cc1[N+](=O)[O-] ZINC000235846112 443138765 /nfs/dbraw/zinc/13/87/65/443138765.db2.gz KSSJFLHLXOFBDW-VIFPVBQESA-N 1 0 330.182 1.830 10 5 EDBERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000246508796 535255964 /nfs/dbraw/zinc/25/59/64/535255964.db2.gz SQGNOMWHWCVNTB-BXUZGUMPSA-N 1 0 334.376 1.378 10 5 EDBERO C[NH2+]C[C@@H]1CN(c2ncc([N+](=O)[O-])c(C)c2Br)CCO1 ZINC000165836827 529993060 /nfs/dbraw/zinc/99/30/60/529993060.db2.gz KCWWKMDKGXFALJ-SECBINFHSA-N 1 0 345.197 1.485 10 5 EDBERO CO[C@H]1C[NH2+][C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000040633436 213362137 /nfs/dbraw/zinc/36/21/37/213362137.db2.gz TXRGCDJAPGRXGK-KCJUWKMLSA-N 1 0 344.165 1.673 10 5 EDBERO Cc1c(F)cc(S(=O)(=O)N[C@@H]2CCC[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000193289262 138965663 /nfs/dbraw/zinc/96/56/63/138965663.db2.gz ZWRVULQURZKAKI-BXKDBHETSA-N 1 0 331.369 1.448 10 5 EDBERO CC[C@@H]1CN(CCOc2cccc([N+](=O)[O-])c2)CC[N@@H+]1C[C@H](C)O ZINC000247381328 139146775 /nfs/dbraw/zinc/14/67/75/139146775.db2.gz VXAJOABNDMJUJZ-LSDHHAIUSA-N 1 0 337.420 1.751 10 5 EDBERO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)Cc3c[nH]c4ccc([N+](=O)[O-])cc34)C[C@H]12 ZINC000248570433 139167853 /nfs/dbraw/zinc/16/78/53/139167853.db2.gz CNOLHDRPXHAJPH-WKPIXPDZSA-N 1 0 328.372 1.814 10 5 EDBERO Cc1c(NC(=O)[C@H]2C[NH2+]C[C@@H]2c2cnn(C)c2)cccc1[N+](=O)[O-] ZINC000261950032 139239413 /nfs/dbraw/zinc/23/94/13/139239413.db2.gz OBROFHCSSPHCSS-OLZOCXBDSA-N 1 0 329.360 1.578 10 5 EDBERO Cc1cc(C(=O)Nc2nc(C3CC[NH2+]CC3)nn2C)cc([N+](=O)[O-])c1 ZINC000262343870 139271781 /nfs/dbraw/zinc/27/17/81/139271781.db2.gz GMSCGYPXMIDWGA-UHFFFAOYSA-N 1 0 344.375 1.751 10 5 EDBERO COc1ccc(NC(=O)CN2C[C@H]3CCC[N@@H+]3C[C@H]2C)c([N+](=O)[O-])c1 ZINC000113270574 220506304 /nfs/dbraw/zinc/50/63/04/220506304.db2.gz RGMKAGLRQDHSMV-CHWSQXEVSA-N 1 0 348.403 1.710 10 5 EDBERO [NH3+]C[C@@H]1CC[C@H](C(=O)Nc2cc([N+](=O)[O-])ccc2Br)O1 ZINC000159457354 225222282 /nfs/dbraw/zinc/22/22/82/225222282.db2.gz OZDIGMNLPLWQIX-GZMMTYOYSA-N 1 0 344.165 1.802 10 5 EDBERO Cc1ccc(NC(=O)C(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000150805489 441954734 /nfs/dbraw/zinc/95/47/34/441954734.db2.gz MEQGDAWLFLQUSS-JSGCOSHPSA-N 1 0 348.403 1.687 10 5 EDBERO C[NH+](C)C[C@H]1CN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)CCO1 ZINC000128061596 442242411 /nfs/dbraw/zinc/24/24/11/442242411.db2.gz DGFCCYPYUPUBOQ-ZDUSSCGKSA-N 1 0 345.346 1.959 10 5 EDBERO C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)C1 ZINC000183015241 442865053 /nfs/dbraw/zinc/86/50/53/442865053.db2.gz NFQQLRGLPJVMBP-IAQYHMDHSA-N 1 0 332.360 1.250 10 5 EDBERO CCOC(=O)c1cc(C(=O)N[C@@H]2CCC[N@H+](CC)C2)cc([N+](=O)[O-])c1 ZINC000194627671 442926926 /nfs/dbraw/zinc/92/69/26/442926926.db2.gz VUDXJWIXNLCNMW-CQSZACIVSA-N 1 0 349.387 1.986 10 5 EDBERO CN(CCC[NH3+])S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1Cl ZINC000166049766 529886069 /nfs/dbraw/zinc/88/60/69/529886069.db2.gz XFYVCVUKEGRTEF-UHFFFAOYSA-N 1 0 342.204 1.871 10 5 EDBERO COc1ccc(S(=O)(=O)N2CCCC[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000194991471 139003944 /nfs/dbraw/zinc/00/39/44/139003944.db2.gz ZLANZQJKGZVJDC-JTQLQIEISA-N 1 0 329.378 1.105 10 5 EDBERO COc1ccc(S(=O)(=O)N[C@@H]2CCC[C@@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC000237325783 139047967 /nfs/dbraw/zinc/04/79/67/139047967.db2.gz YBFAQVKTBVXRIF-MWLCHTKSSA-N 1 0 329.378 1.009 10 5 EDBERO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000247485106 139150273 /nfs/dbraw/zinc/15/02/73/139150273.db2.gz KMSMFTKOULLZMS-LBPRGKRZSA-N 1 0 325.390 1.372 10 5 EDBERO CN1CC[NH2+]C[C@H]1c1noc(Cc2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000263119685 139323375 /nfs/dbraw/zinc/32/33/75/139323375.db2.gz AUCJYIBBSAKNRP-LBPRGKRZSA-N 1 0 337.767 1.798 10 5 EDBERO C[NH2+][C@H]1COC[C@@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1Br ZINC000159452392 533040676 /nfs/dbraw/zinc/04/06/76/533040676.db2.gz LZPSOTWUTACYRB-KWQFWETISA-N 1 0 344.165 1.530 10 5 EDBERO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2CCC[NH2+][C@H]2C)c1C ZINC000193461349 292292089 /nfs/dbraw/zinc/29/20/89/292292089.db2.gz ZGHNXFGJZBYGJR-NWDGAFQWSA-N 1 0 327.406 1.630 10 5 EDBERO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000113305557 441601555 /nfs/dbraw/zinc/60/15/55/441601555.db2.gz VAXPHXHOOVIRMM-GXTWGEPZSA-N 1 0 339.417 1.760 10 5 EDBERO CCOCC[N@@H+]1CCN(CCn2cc([N+](=O)[O-])cn2)C[C@@H]1CC ZINC000174849510 441975985 /nfs/dbraw/zinc/97/59/85/441975985.db2.gz ZREMNNURRGVGOF-AWEZNQCLSA-N 1 0 325.413 1.224 10 5 EDBERO CCOc1cc([N+](=O)[O-])c(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc1OC ZINC000171585385 442359142 /nfs/dbraw/zinc/35/91/42/442359142.db2.gz JHIWGBQKWSYKIT-GFCCVEGCSA-N 1 0 349.387 1.922 10 5 EDBERO C[C@H](O)C[N@@H+]1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000246926487 442822272 /nfs/dbraw/zinc/82/22/72/442822272.db2.gz ZCYQVBQWKMFAJL-NSDHSQQOSA-N 1 0 333.388 1.522 10 5 EDBERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000190357892 443091348 /nfs/dbraw/zinc/09/13/48/443091348.db2.gz FRPBVDOODDWFRK-UKRRQHHQSA-N 1 0 346.387 1.619 10 5 EDBERO O=[N+]([O-])c1cc(S(=O)(=O)NCC[C@H]2CCC[NH2+]2)sc1Cl ZINC000166799231 534880807 /nfs/dbraw/zinc/88/08/07/534880807.db2.gz SJYAQOAQSIVCKM-SSDOTTSWSA-N 1 0 339.826 1.730 10 5 EDBERO C[C@@H]([NH3+])[C@@H]1CN(c2cc(Br)ccc2[N+](=O)[O-])CCO1 ZINC000132993773 597918046 /nfs/dbraw/zinc/91/80/46/597918046.db2.gz NIAFWPWVJFLLBE-PELKAZGASA-N 1 0 330.182 1.910 10 5 EDBERO Brc1cc2c(cc1C[N+]13CCN(CC1)CC3)OCO2 ZINC000192498509 717157900 /nfs/dbraw/zinc/15/79/00/717157900.db2.gz FRLQONLCFKUQSV-UHFFFAOYSA-N 1 0 326.214 1.824 10 5 EDBERO [NH3+]CC[C@@H](Nc1c(Br)cncc1[N+](=O)[O-])C(F)F ZINC000394764842 303854307 /nfs/dbraw/zinc/85/43/07/303854307.db2.gz BIUWSFHAVLMCGU-ZCFIWIBFSA-N 1 0 325.113 1.569 10 5 EDBERO C[C@@H]1C[NH2+]C[C@H](C)N1S(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000069133687 202269343 /nfs/dbraw/zinc/26/93/43/202269343.db2.gz BYBRFZDOFXWCTL-DTORHVGOSA-N 1 0 333.797 1.619 10 5 EDBERO C[C@H]1CCN(S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C[C@@H]1[NH3+] ZINC000070146442 202309294 /nfs/dbraw/zinc/30/92/94/202309294.db2.gz RXNCGLJRUZSUCH-KWQFWETISA-N 1 0 333.797 1.606 10 5 EDBERO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000105168812 204136437 /nfs/dbraw/zinc/13/64/37/204136437.db2.gz BAGHJZCMYOQOIF-HNNXBMFYSA-N 1 0 348.403 1.983 10 5 EDBERO C[NH+](C)C[C@H]1CN(CCC(=O)Nc2ccccc2[N+](=O)[O-])CCO1 ZINC000155382028 205012413 /nfs/dbraw/zinc/01/24/13/205012413.db2.gz UXPFRJXREMOIFV-ZDUSSCGKSA-N 1 0 336.392 1.186 10 5 EDBERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000155540303 206014778 /nfs/dbraw/zinc/01/47/78/206014778.db2.gz MFCHLEZOMKIPFK-DOMZBBRYSA-N 1 0 348.403 1.170 10 5 EDBERO Cc1nn(CCC(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)c(C)c1[N+](=O)[O-] ZINC000247547047 139151991 /nfs/dbraw/zinc/15/19/91/139151991.db2.gz YXQNVIRGHMZJET-RISCZKNCSA-N 1 0 335.408 1.493 10 5 EDBERO COc1ccc(S(=O)(=O)N2CC[N@@H+]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000247651571 139153422 /nfs/dbraw/zinc/15/34/22/139153422.db2.gz WTHWBEKSRDCPEQ-NSHDSACASA-N 1 0 341.389 1.072 10 5 EDBERO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000262549425 139285850 /nfs/dbraw/zinc/28/58/50/139285850.db2.gz SFKXDCOMZZAHMW-CYBMUJFWSA-N 1 0 327.406 1.651 10 5 EDBERO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000113305657 441601247 /nfs/dbraw/zinc/60/12/47/441601247.db2.gz NPKSJDBPLDSAIY-QWHCGFSZSA-N 1 0 339.417 1.760 10 5 EDBERO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000090550067 441633146 /nfs/dbraw/zinc/63/31/46/441633146.db2.gz OZNCJITYDTYGPR-AWEZNQCLSA-N 1 0 343.387 1.586 10 5 EDBERO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCC[C@H](Cn3cncn3)C2)c1 ZINC000137057237 441743514 /nfs/dbraw/zinc/74/35/14/441743514.db2.gz KESAYPNSCBUEME-XJKSGUPXSA-N 1 0 331.376 1.632 10 5 EDBERO Cc1c(Br)c(NC[C@H]2CN(C)CCO2)ncc1[N+](=O)[O-] ZINC000165787509 442210576 /nfs/dbraw/zinc/21/05/76/442210576.db2.gz QEPONMOFDMVCAF-VIFPVBQESA-N 1 0 345.197 1.803 10 5 EDBERO Cc1c(Br)c(NC[C@@H]2CN(C)CCO2)ncc1[N+](=O)[O-] ZINC000165787375 442210891 /nfs/dbraw/zinc/21/08/91/442210891.db2.gz QEPONMOFDMVCAF-SECBINFHSA-N 1 0 345.197 1.803 10 5 EDBERO O=C(CC[N@@H+]1CCC[C@@H](n2cncn2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000171705341 442372308 /nfs/dbraw/zinc/37/23/08/442372308.db2.gz JYNQQUKZWCWWDW-CYBMUJFWSA-N 1 0 344.375 1.852 10 5 EDBERO O=C(CN1CC[N@@H+]2CCC[C@@H]2C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000178620714 442449182 /nfs/dbraw/zinc/44/91/82/442449182.db2.gz VYMUKTNHAURACT-GFCCVEGCSA-N 1 0 338.795 1.967 10 5 EDBERO CC[C@@H]1CN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C[C@@H](C)O ZINC000255891820 443112990 /nfs/dbraw/zinc/11/29/90/443112990.db2.gz ZEUJQBPRFYFKHK-YRPJOXRESA-N 1 0 347.415 1.912 10 5 EDBERO Cc1c(Br)c(N2CCO[C@@H]([C@H](C)[NH3+])C2)ncc1[N+](=O)[O-] ZINC000228017968 443124204 /nfs/dbraw/zinc/12/42/04/443124204.db2.gz INLZWYRKWJPFOJ-WCBMZHEXSA-N 1 0 345.197 1.613 10 5 EDBERO C[C@@]1(C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)CCCC[NH2+]1 ZINC000180991729 234053519 /nfs/dbraw/zinc/05/35/19/234053519.db2.gz LTNVIRYBPYXRRU-KRWDZBQOSA-N 1 0 332.404 1.776 10 5 EDBERO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000176879110 138714337 /nfs/dbraw/zinc/71/43/37/138714337.db2.gz FJSMIGKIALEXDD-AWEZNQCLSA-N 1 0 349.431 1.689 10 5 EDBERO CN(C)C(=O)CC[NH2+]Cc1ccc([N+](=O)[O-])cc1Br ZINC000044992294 204310918 /nfs/dbraw/zinc/31/09/18/204310918.db2.gz JRFJUFRFFUVGJH-UHFFFAOYSA-N 1 0 330.182 1.925 10 5 EDBERO COc1cc(C(=O)N2CC[C@H]([NH3+])C(C)(C)C2)c([N+](=O)[O-])cc1OC ZINC000261613072 139211132 /nfs/dbraw/zinc/21/11/32/139211132.db2.gz FAQMGCWAUCWEIJ-AWEZNQCLSA-N 1 0 337.376 1.811 10 5 EDBERO CC1(C)CN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CC[C@H]1[NH3+] ZINC000261752619 139223247 /nfs/dbraw/zinc/22/32/47/139223247.db2.gz DVIGTWLOUVWMKM-OAHLLOKOSA-N 1 0 343.387 1.980 10 5 EDBERO Cn1nc(C2CC[NH2+]CC2)nc1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000262383206 139274982 /nfs/dbraw/zinc/27/49/82/139274982.db2.gz LTTKNFPNYZNIIM-UHFFFAOYSA-N 1 0 330.348 1.443 10 5 EDBERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000247499474 273016042 /nfs/dbraw/zinc/01/60/42/273016042.db2.gz UXQIYYGMCZFRJE-BBRMVZONSA-N 1 0 344.415 1.652 10 5 EDBERO CNC(=O)C[NH+]1CCC(CN(C)c2ccc([N+](=O)[O-])cc2C)CC1 ZINC000080657168 441187634 /nfs/dbraw/zinc/18/76/34/441187634.db2.gz QGGKOOFHLXJWKV-UHFFFAOYSA-N 1 0 334.420 1.797 10 5 EDBERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000113230003 441591102 /nfs/dbraw/zinc/59/11/02/441591102.db2.gz LRJIYTXQTMOIFR-NWDGAFQWSA-N 1 0 337.351 1.808 10 5 EDBERO CCC[C@H](C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)[NH+](C)C ZINC000136240858 442656537 /nfs/dbraw/zinc/65/65/37/442656537.db2.gz NEIHMTJTPAMBCP-MRXNPFEDSA-N 1 0 334.420 1.974 10 5 EDBERO Cn1cc(C[N@@H+]2CCCN(c3cc(N)ccc3[N+](=O)[O-])CC2)cn1 ZINC000193413330 442740710 /nfs/dbraw/zinc/74/07/10/442740710.db2.gz JYAHTHRLZLQDLR-UHFFFAOYSA-N 1 0 330.392 1.623 10 5 EDBERO CC(C)C[C@@H](C[NH+](C)C)NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000189137171 442883906 /nfs/dbraw/zinc/88/39/06/442883906.db2.gz GQRDQLMPZHJZNU-AWEZNQCLSA-N 1 0 343.449 1.991 10 5 EDBERO CC[N@@H+]1CCC[C@H](NC(=O)CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000183428777 442931140 /nfs/dbraw/zinc/93/11/40/442931140.db2.gz NHSDIPIPYQPRST-AWEZNQCLSA-N 1 0 348.403 1.234 10 5 EDBERO C[C@H]([NH3+])[C@H]1CN(c2c(Br)cncc2[N+](=O)[O-])CCO1 ZINC000235513632 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C[NH2+]C[C@H]1CCCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000156607853 201399058 /nfs/dbraw/zinc/39/90/58/201399058.db2.gz REVINPRSWAOZNA-SNVBAGLBSA-N 1 0 333.797 1.621 10 5 EDBERO C[C@@H]1C[C@@H]([NH3+])CCN1S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000156151113 201399360 /nfs/dbraw/zinc/39/93/60/201399360.db2.gz DPOBOPRHLMCKGC-BDAKNGLRSA-N 1 0 333.797 1.749 10 5 EDBERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000247480675 139149920 /nfs/dbraw/zinc/14/99/20/139149920.db2.gz SPZFWMQDDLAJIS-YPMHNXCESA-N 1 0 325.390 1.452 10 5 EDBERO CC1(C)CN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)CC[C@@H]1[NH3+] ZINC000261750687 139222868 /nfs/dbraw/zinc/22/28/68/139222868.db2.gz FDFJNWJYJUTWGD-HNNXBMFYSA-N 1 0 343.387 1.980 10 5 EDBERO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC[C@@H]1C[NH3+] ZINC000237204964 286384532 /nfs/dbraw/zinc/38/45/32/286384532.db2.gz YFMASWDHIJBIDS-LLVKDONJSA-N 1 0 329.378 1.105 10 5 EDBERO NNc1[nH+]cccc1Cn1cc([N+](=O)[O-])cc(Br)c1=O ZINC000165425635 226123343 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CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000247316110 535256549 /nfs/dbraw/zinc/25/65/49/535256549.db2.gz MFCHLEZOMKIPFK-IUODEOHRSA-N 1 0 348.403 1.170 10 5 EDBERO CCOCCN1CCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000117281400 595613950 /nfs/dbraw/zinc/61/39/50/595613950.db2.gz HSFYYGUSCWPDDJ-LBPRGKRZSA-N 1 0 336.392 1.360 10 5 EDBERO Cc1c(Cl)cc(S(=O)(=O)N[C@@H]2CCC[C@@H]2[NH3+])cc1[N+](=O)[O-] ZINC000063174732 214747468 /nfs/dbraw/zinc/74/74/68/214747468.db2.gz LHWHCHJSJBEUJR-WDEREUQCSA-N 1 0 333.797 1.715 10 5 EDBERO O=[N+]([O-])c1cc(I)ccc1N[C@@H]1CC[NH2+]C1 ZINC000085102192 138270458 /nfs/dbraw/zinc/27/04/58/138270458.db2.gz DGXZBSNWJXALLW-MRVPVSSYSA-N 1 0 333.129 1.973 10 5 EDBERO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237799018 283512949 /nfs/dbraw/zinc/51/29/49/283512949.db2.gz REEHHCVGGPUWTE-RISCZKNCSA-N 1 0 329.360 1.638 10 5 EDBERO CC(C)n1ccnc1CS(=O)(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000159325600 206237996 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CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000173725823 529408230 /nfs/dbraw/zinc/40/82/30/529408230.db2.gz QDQCBCQBTRQKTQ-GHMZBOCLSA-N 1 0 345.446 1.904 10 5 EDBERO CC[C@H](NC(=O)NCC[N@H+](CC)CCO)c1cccc([N+](=O)[O-])c1 ZINC000187349661 529503798 /nfs/dbraw/zinc/50/37/98/529503798.db2.gz NJHOVIOIAXNODI-HNNXBMFYSA-N 1 0 338.408 1.659 10 5 EDBERO CN(C1C[NH2+]C1)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1Cl ZINC000166048061 529822486 /nfs/dbraw/zinc/82/24/86/529822486.db2.gz IDOUVKUDUWTFAB-UHFFFAOYSA-N 1 0 340.188 1.494 10 5 EDBERO CCc1nn(C)c(N2CC[N@H+](CCOC)[C@H](CC)C2)c1[N+](=O)[O-] ZINC000129171344 138624302 /nfs/dbraw/zinc/62/43/02/138624302.db2.gz ZKEWKNHGYXPKBQ-GFCCVEGCSA-N 1 0 325.413 1.438 10 5 EDBERO Cc1cc(S(=O)(=O)N2CC[N@@H+]3CCC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000247330502 139145285 /nfs/dbraw/zinc/14/52/85/139145285.db2.gz YFAWTRFHBOKGJL-LBPRGKRZSA-N 1 0 325.390 1.372 10 5 EDBERO Cc1c(F)cc(S(=O)(=O)N2CC[C@](C)(C[NH3+])C2)cc1[N+](=O)[O-] ZINC000261837758 139230376 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CCOc1cc([N+](=O)[O-])c(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)cc1OC ZINC000171585389 442359261 /nfs/dbraw/zinc/35/92/61/442359261.db2.gz JHIWGBQKWSYKIT-LBPRGKRZSA-N 1 0 349.387 1.922 10 5 EDBERO Cc1nn(C)c(N2CC[C@@H](C[N@H+](C)Cc3cccnc3)C2)c1[N+](=O)[O-] ZINC000190447690 443111004 /nfs/dbraw/zinc/11/10/04/443111004.db2.gz OHJFRVWAZJEIFU-HNNXBMFYSA-N 1 0 344.419 1.990 10 5 EDBERO Cc1c(Cl)cc(S(=O)(=O)NC[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000131874947 533873909 /nfs/dbraw/zinc/87/39/09/533873909.db2.gz LGXYFWNEQXJNGP-SECBINFHSA-N 1 0 333.797 1.444 10 5 EDBERO C[NH2+][C@H](C)Cc1noc([C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)n1 ZINC000261615953 536406184 /nfs/dbraw/zinc/40/61/84/536406184.db2.gz BHCFZFUQKNPDQT-ZJUUUORDSA-N 1 0 333.348 1.619 10 5 EDBERO O=[N+]([O-])c1cncc(Br)c1NCCCN1CC[NH2+]CC1 ZINC000232478669 139025555 /nfs/dbraw/zinc/02/55/55/139025555.db2.gz VIYDVDOGXUPBDC-UHFFFAOYSA-N 1 0 344.213 1.460 10 5 EDBERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000245533805 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CC[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2OC)CC[N@@H+]1C[C@@H](C)O ZINC000106104111 441327145 /nfs/dbraw/zinc/32/71/45/441327145.db2.gz OGZKDBOKOSZGTQ-UKRRQHHQSA-N 1 0 337.420 1.880 10 5 EDBERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000113226575 441589093 /nfs/dbraw/zinc/58/90/93/441589093.db2.gz DBLNRFAEAFREBN-TZMCWYRMSA-N 1 0 332.404 1.970 10 5 EDBERO CSc1ccc(C(=O)N2CCO[C@@H](C[NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000116796589 441849458 /nfs/dbraw/zinc/84/94/58/441849458.db2.gz GXWLSGQFKOZKQU-LBPRGKRZSA-N 1 0 339.417 1.719 10 5 EDBERO C[NH+](C)[C@@H]1CCN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000170866385 442280032 /nfs/dbraw/zinc/28/00/32/442280032.db2.gz GHAGOBPAXRCFGK-CQSZACIVSA-N 1 0 329.360 1.557 10 5 EDBERO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CC[N@@H+]3CCC[C@@H]3C2)c1C ZINC000171770582 442379993 /nfs/dbraw/zinc/37/99/93/442379993.db2.gz YLVCZPXMFMEKAT-CYBMUJFWSA-N 1 0 339.417 1.680 10 5 EDBERO O=C(NC1CC1)c1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000171939234 442392022 /nfs/dbraw/zinc/39/20/22/442392022.db2.gz YLMVGBOMSXFYOT-CQSZACIVSA-N 1 0 330.388 1.771 10 5 EDBERO C[C@H](CCn1cccn1)[NH2+][C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000157828374 442617894 /nfs/dbraw/zinc/61/78/94/442617894.db2.gz ISIVQDDWGFPAJR-DAXOMENPSA-N 1 0 334.376 1.254 10 5 EDBERO [NH3+][C@@H]1CCC[C@@H](C(=O)N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)C1 ZINC000246697717 442804052 /nfs/dbraw/zinc/80/40/52/442804052.db2.gz VZLHHRUBAMDNRV-JHJVBQTASA-N 1 0 333.392 1.520 10 5 EDBERO CC[C@@H]([NH2+]CC(=O)NCC(=O)N1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000181542278 529154657 /nfs/dbraw/zinc/15/46/57/529154657.db2.gz LTDIXZYNRCWUBC-OAHLLOKOSA-N 1 0 348.403 1.374 10 5 EDBERO COc1ccc(NC(=O)CN2CC[N@@H+]3CCCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000246173732 536767173 /nfs/dbraw/zinc/76/71/73/536767173.db2.gz JOOSXURSJXFIES-ZDUSSCGKSA-N 1 0 348.403 1.712 10 5 EDBERO COc1ccc(NC(=O)CN2C[C@@H]3CCC[N@@H+]3C[C@H]2C)c([N+](=O)[O-])c1 ZINC000247466024 536771092 /nfs/dbraw/zinc/77/10/92/536771092.db2.gz RGMKAGLRQDHSMV-OLZOCXBDSA-N 1 0 348.403 1.710 10 5 EDBERO C[C@@H]1C[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@@H]1N1CCOCC1 ZINC000246212445 139099445 /nfs/dbraw/zinc/09/94/45/139099445.db2.gz CKPLTFNLTYBSAL-XOKHGSTOSA-N 1 0 335.404 1.281 10 5 EDBERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CCn1cc([N+](=O)[O-])nc1C ZINC000246830111 139123512 /nfs/dbraw/zinc/12/35/12/139123512.db2.gz APVBWKIUZASKDJ-KGLIPLIRSA-N 1 0 335.408 1.575 10 5 EDBERO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000247073238 139134270 /nfs/dbraw/zinc/13/42/70/139134270.db2.gz HOUNXIVBUKKOFR-OCCSQVGLSA-N 1 0 339.417 1.760 10 5 EDBERO CC1(C)CN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC[C@H]1[NH3+] ZINC000261607977 139210444 /nfs/dbraw/zinc/21/04/44/139210444.db2.gz BKRLIMPTAYSCOZ-OAHLLOKOSA-N 1 0 332.404 1.543 10 5 EDBERO Cc1cnn(CC[NH2+][C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)c1 ZINC000109132869 441489173 /nfs/dbraw/zinc/48/91/73/441489173.db2.gz QCFBZEAVPSZOOB-HNNXBMFYSA-N 1 0 329.360 1.495 10 5 EDBERO CCC[C@@H](C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)[NH+](C)C ZINC000162192400 442072922 /nfs/dbraw/zinc/07/29/22/442072922.db2.gz FDLDJGMVZDYRFQ-OCCSQVGLSA-N 1 0 335.408 1.733 10 5 EDBERO C[NH+](C)[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)C1 ZINC000170858970 442276477 /nfs/dbraw/zinc/27/64/77/442276477.db2.gz ODIJVHWSTFFMIY-CQSZACIVSA-N 1 0 332.404 1.971 10 5 EDBERO C[C@@H]1CCN(S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C[C@@H]1[NH3+] ZINC000070146441 215677397 /nfs/dbraw/zinc/67/73/97/215677397.db2.gz RXNCGLJRUZSUCH-KCJUWKMLSA-N 1 0 333.797 1.606 10 5 EDBERO C[C@H]1[NH2+]CCC[C@H]1NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000193451674 291193564 /nfs/dbraw/zinc/19/35/64/291193564.db2.gz FHUTXKFIGCKKRR-PSASIEDQSA-N 1 0 333.797 1.667 10 5 EDBERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000245432396 139074534 /nfs/dbraw/zinc/07/45/34/139074534.db2.gz OPFNUFIQWAMTLR-HYVNUMGLSA-N 1 0 349.431 1.893 10 5 EDBERO 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ZINC000106104113 281170114 /nfs/dbraw/zinc/17/01/14/281170114.db2.gz OGZKDBOKOSZGTQ-HIFRSBDPSA-N 1 0 337.420 1.880 10 5 EDBERO CC1(C)CN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000262449725 281259050 /nfs/dbraw/zinc/25/90/50/281259050.db2.gz HOPGGDPEXPCOSP-NSHDSACASA-N 1 0 331.369 1.482 10 5 EDBERO CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)C1 ZINC000105807574 441276084 /nfs/dbraw/zinc/27/60/84/441276084.db2.gz SXMWBJDWNITSAO-ZDUSSCGKSA-N 1 0 344.375 1.390 10 5 EDBERO O=[N+]([O-])c1cccc([C@@H](O)C[NH+]2CCC(Nc3cccnn3)CC2)c1 ZINC000137039529 441742169 /nfs/dbraw/zinc/74/21/69/441742169.db2.gz YNDVFEZVVFVFJM-INIZCTEOSA-N 1 0 343.387 1.995 10 5 EDBERO CN(c1cccnn1)C1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000176232141 442196964 /nfs/dbraw/zinc/19/69/64/442196964.db2.gz JHFWCFHEVBLUMU-UHFFFAOYSA-N 1 0 331.380 1.182 10 5 EDBERO C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000176879125 442266167 /nfs/dbraw/zinc/26/61/67/442266167.db2.gz FJSMIGKIALEXDD-CQSZACIVSA-N 1 0 349.431 1.689 10 5 EDBERO CCOCCN1CCN(c2c([N+](=O)[O-])c(CC)nn2C)C[C@H]1C ZINC000129169705 442304023 /nfs/dbraw/zinc/30/40/23/442304023.db2.gz NRCZVBCEUYYIPD-GFCCVEGCSA-N 1 0 325.413 1.438 10 5 EDBERO O=C(CN1CC[N@@H+]2CCCC[C@@H]2C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000177780503 442383275 /nfs/dbraw/zinc/38/32/75/442383275.db2.gz QGUCOIWEKKAATQ-MRXNPFEDSA-N 1 0 344.415 1.654 10 5 EDBERO O=C(c1ccc(-n2cncn2)c([N+](=O)[O-])c1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000171585298 491004792 /nfs/dbraw/zinc/00/47/92/491004792.db2.gz IUKFCTHMUDKOLX-ZDUSSCGKSA-N 1 0 342.359 1.096 10 5 EDBERO [NH3+]CCCCNS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1Cl ZINC000166020868 534606090 /nfs/dbraw/zinc/60/60/90/534606090.db2.gz NJGYCQSLJFHINH-UHFFFAOYSA-N 1 0 342.204 1.919 10 5 EDBERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000129582156 527976240 /nfs/dbraw/zinc/97/62/40/527976240.db2.gz MQEWUZJIIXODDO-OAHLLOKOSA-N 1 0 348.403 1.770 10 5 EDBERO [NH3+]C[C@H]1CCC[C@H]1NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237843772 698413287 /nfs/dbraw/zinc/41/32/87/698413287.db2.gz REEHHCVGGPUWTE-BXUZGUMPSA-N 1 0 329.360 1.638 10 5 EDBERO C[N+](C)(CCO)CCn1cnc2c1ncnc2NCc1ccccc1 ZINC000136322978 717151007 /nfs/dbraw/zinc/15/10/07/717151007.db2.gz QABMJEUYMYYVAC-UHFFFAOYSA-N 1 0 341.439 1.507 10 5 EDBERO [NH3+]C1CCC(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000051693402 214101310 /nfs/dbraw/zinc/10/13/10/214101310.db2.gz DIPRWNGRGPSGEZ-UHFFFAOYSA-N 1 0 333.797 1.796 10 5 EDBERO CC[N@@H+]1CCC[C@@H](NC(=O)COc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000070825499 138204351 /nfs/dbraw/zinc/20/43/51/138204351.db2.gz VTDIGCJJFVLKJR-GFCCVEGCSA-N 1 0 337.376 1.583 10 5 EDBERO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H]1CCC[NH2+][C@H]1C ZINC000189316749 138867492 /nfs/dbraw/zinc/86/74/92/138867492.db2.gz YQZUHGHJEFISJY-GXSJLCMTSA-N 1 0 329.378 1.022 10 5 EDBERO CCCN([C@H]1CC[NH2+]C1)S(=O)(=O)c1cc(F)c(C)c([N+](=O)[O-])c1 ZINC000193264053 138965088 /nfs/dbraw/zinc/96/50/88/138965088.db2.gz OZAHZNOSYFWDLN-NSHDSACASA-N 1 0 345.396 1.805 10 5 EDBERO COc1cccc(C[NH2+][C@@H](CO)[C@@H](O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000237231462 139045194 /nfs/dbraw/zinc/04/51/94/139045194.db2.gz BFCBBWQIAGSLAK-HOCLYGCPSA-N 1 0 333.344 1.183 10 5 EDBERO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000237621515 139056022 /nfs/dbraw/zinc/05/60/22/139056022.db2.gz IWMPJZIRTIIMBO-QWHCGFSZSA-N 1 0 348.403 1.219 10 5 EDBERO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000262549427 139285868 /nfs/dbraw/zinc/28/58/68/139285868.db2.gz SFKXDCOMZZAHMW-ZDUSSCGKSA-N 1 0 327.406 1.651 10 5 EDBERO CN1CC[NH2+]C[C@H]1c1noc(C(C)(C)c2ccc([N+](=O)[O-])cc2)n1 ZINC000263272204 139332413 /nfs/dbraw/zinc/33/24/13/139332413.db2.gz SISKCWYNKOXKCA-ZDUSSCGKSA-N 1 0 331.376 1.880 10 5 EDBERO O=C(C[C@@H]1C[NH2+]CCO1)Nc1cc([N+](=O)[O-])ccc1Br ZINC000159437602 225217305 /nfs/dbraw/zinc/21/73/05/225217305.db2.gz YTCREGYBZLFZSW-SECBINFHSA-N 1 0 344.165 1.674 10 5 EDBERO [NH3+]C[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2Br)CCO1 ZINC000165665223 226131585 /nfs/dbraw/zinc/13/15/85/226131585.db2.gz KZMYOZZGDLGKQM-NSHDSACASA-N 1 0 330.182 1.517 10 5 EDBERO CC1(C)CN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000261662951 273017134 /nfs/dbraw/zinc/01/71/34/273017134.db2.gz IIZTWMZGCOSNDM-CYBMUJFWSA-N 1 0 327.406 1.484 10 5 EDBERO C[C@@H]1CN(c2ccc(I)cc2[N+](=O)[O-])C[C@@H]1[NH3+] ZINC000235358543 274363974 /nfs/dbraw/zinc/36/39/74/274363974.db2.gz IYDWEJUKPBTCJR-APPZFPTMSA-N 1 0 347.156 1.983 10 5 EDBERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000246917702 288317950 /nfs/dbraw/zinc/31/79/50/288317950.db2.gz ITMSGBXWJKHGSX-STQMWFEESA-N 1 0 339.417 1.842 10 5 EDBERO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000113599837 441617563 /nfs/dbraw/zinc/61/75/63/441617563.db2.gz HKISJNLFRSDMBU-SWLSCSKDSA-N 1 0 348.403 1.982 10 5 EDBERO CC(C)(C)OC(=O)NC[C@@H]1CCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000176271337 442202905 /nfs/dbraw/zinc/20/29/05/442202905.db2.gz PWUTVFNLQBGWNQ-LBPRGKRZSA-N 1 0 339.396 1.780 10 5 EDBERO C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000176887932 442267133 /nfs/dbraw/zinc/26/71/33/442267133.db2.gz VTAUYEOJXQFYMQ-CYBMUJFWSA-N 1 0 335.404 1.760 10 5 EDBERO CCOc1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H]([NH+](C)C)C2)cc1OC ZINC000170857840 442276501 /nfs/dbraw/zinc/27/65/01/442276501.db2.gz SPDQIUCIOXLZMV-LLVKDONJSA-N 1 0 337.376 1.778 10 5 EDBERO COC(=O)c1cc(C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000155348887 442389348 /nfs/dbraw/zinc/38/93/48/442389348.db2.gz DFONJNAUCFEYRU-NHYWBVRUSA-N 1 0 349.387 1.840 10 5 EDBERO CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000194153569 442852654 /nfs/dbraw/zinc/85/26/54/442852654.db2.gz YKGHSBSZQVZCER-LBPRGKRZSA-N 1 0 334.376 1.442 10 5 EDBERO C[C@@H]([NH3+])[C@@H]1CN(c2c(Br)cncc2[N+](=O)[O-])CCO1 ZINC000235186070 443138364 /nfs/dbraw/zinc/13/83/64/443138364.db2.gz SXEVMOVKNSJAKJ-XCBNKYQSSA-N 1 0 331.170 1.305 10 5 EDBERO NNc1ccc(Cn2cc(Br)cc([N+](=O)[O-])c2=O)c[nH+]1 ZINC000051147973 214080962 /nfs/dbraw/zinc/08/09/62/214080962.db2.gz FRHCXPTWEVZZCW-UHFFFAOYSA-N 1 0 340.137 1.248 10 5 EDBERO [NH3+][C@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000038050082 213197512 /nfs/dbraw/zinc/19/75/12/213197512.db2.gz QCFPDWBPWBGVEO-QWRGUYRKSA-N 1 0 333.797 1.796 10 5 EDBERO Cc1c(Cl)cc(S(=O)(=O)N[C@@H]2CCC[NH2+][C@H]2C)cc1[N+](=O)[O-] ZINC000189320226 138867732 /nfs/dbraw/zinc/86/77/32/138867732.db2.gz GJELRJNNTMFNSO-JOYOIKCWSA-N 1 0 347.824 1.975 10 5 EDBERO O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000195331829 139014784 /nfs/dbraw/zinc/01/47/84/139014784.db2.gz DYPFOVUSUSGQAG-OAHLLOKOSA-N 1 0 341.371 1.701 10 5 EDBERO COc1cccc(C[NH2+][C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000237237182 139045285 /nfs/dbraw/zinc/04/52/85/139045285.db2.gz BFCBBWQIAGSLAK-GDBMZVCRSA-N 1 0 333.344 1.183 10 5 EDBERO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC[C@H]1C[NH3+] ZINC000236982055 276673685 /nfs/dbraw/zinc/67/36/85/276673685.db2.gz JEWUHBAJYMSEHD-ZDUSSCGKSA-N 1 0 327.406 1.659 10 5 EDBERO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCCC[C@@H]2C[NH3+])cc1C ZINC000237666312 301425498 /nfs/dbraw/zinc/42/54/98/301425498.db2.gz VMYNZKLCRLQZRO-GFCCVEGCSA-N 1 0 327.406 1.714 10 5 EDBERO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC[C@@H](Cn3cncn3)C2)c1 ZINC000105884125 441307130 /nfs/dbraw/zinc/30/71/30/441307130.db2.gz VEVCCWXCYGRKTR-CQSZACIVSA-N 1 0 331.376 1.977 10 5 EDBERO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000126817545 442145938 /nfs/dbraw/zinc/14/59/38/442145938.db2.gz FOLWXJMTKZAZBW-CYBMUJFWSA-N 1 0 325.413 1.582 10 5 EDBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000177683296 442370115 /nfs/dbraw/zinc/37/01/15/442370115.db2.gz VMLHRHABYIKQTO-CYBMUJFWSA-N 1 0 332.360 1.148 10 5 EDBERO C[C@@H]([NH3+])CCNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000178631380 442449940 /nfs/dbraw/zinc/44/99/40/442449940.db2.gz QPYUTTWHFZXWKV-ZJUUUORDSA-N 1 0 340.405 1.114 10 5 EDBERO C[NH+](C)[C@H]1CCN(C(=O)[C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)C1 ZINC000183015260 442864998 /nfs/dbraw/zinc/86/49/98/442864998.db2.gz NFQQLRGLPJVMBP-XHDPSFHLSA-N 1 0 332.360 1.250 10 5 EDBERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000153836206 534001489 /nfs/dbraw/zinc/00/14/89/534001489.db2.gz NCNZZEMYOAEHOL-SWLSCSKDSA-N 1 0 339.417 1.593 10 5 EDBERO CCN(C(=O)c1cc(Br)cc([N+](=O)[O-])c1)C1C[NH2+]C1 ZINC000165945878 529068788 /nfs/dbraw/zinc/06/87/88/529068788.db2.gz GMZWRMNIROOKKM-UHFFFAOYSA-N 1 0 328.166 1.791 10 5 EDBERO